data_18046 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18046 _Entry.PDB_ID 2LLF 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 18046 _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 ARG N N 2 117.203 117.203 118.330 -1.127 18046 2 1 1 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.983 0.067 18046 3 1 1 . 1 1 2 2 ARG C C 2 172.726 172.726 174.612 -1.886 18046 4 1 1 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.720 0.480 18046 5 1 1 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.356 -2.456 18046 6 1 1 . 1 1 2 2 ARG H H 2 8.108 8.108 7.918 0.190 18046 7 1 1 . 1 1 3 3 LEU N N 3 125.261 125.261 118.336 6.925 18046 8 1 1 . 1 1 3 3 LEU HA H 3 5.220 5.220 5.111 0.109 18046 9 1 1 . 1 1 3 3 LEU C C 3 174.166 174.166 175.302 -1.136 18046 10 1 1 . 1 1 3 3 LEU CA C 3 53.000 53.000 52.947 0.053 18046 11 1 1 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.940 -0.540 18046 12 1 1 . 1 1 3 3 LEU H H 3 8.542 8.542 8.168 0.374 18046 13 1 1 . 1 1 4 4 PHE N N 4 123.490 123.490 116.595 6.895 18046 14 1 1 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.791 0.309 18046 15 1 1 . 1 1 4 4 PHE C C 4 174.820 174.820 174.483 0.337 18046 16 1 1 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.302 -1.012 18046 17 1 1 . 1 1 4 4 PHE CB C 4 41.350 41.350 41.042 0.308 18046 18 1 1 . 1 1 4 4 PHE H H 4 9.591 9.591 8.702 0.889 18046 19 1 1 . 1 1 5 5 GLU N N 5 125.718 125.718 125.284 0.434 18046 20 1 1 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.750 -0.730 18046 21 1 1 . 1 1 5 5 GLU C C 5 174.892 174.892 175.414 -0.522 18046 22 1 1 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.680 -0.580 18046 23 1 1 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.311 2.539 18046 24 1 1 . 1 1 5 5 GLU H H 5 9.484 9.484 8.548 0.936 18046 25 1 1 . 1 1 6 6 CYS N N 6 127.915 127.915 124.979 2.936 18046 26 1 1 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.177 -0.157 18046 27 1 1 . 1 1 6 6 CYS C C 6 172.378 172.378 173.920 -1.542 18046 28 1 1 . 1 1 6 6 CYS CA C 6 58.000 58.000 56.911 1.089 18046 29 1 1 . 1 1 6 6 CYS CB C 6 29.300 29.300 28.439 0.861 18046 30 1 1 . 1 1 6 6 CYS H H 6 8.937 8.937 8.231 0.706 18046 31 1 1 . 1 1 7 7 SER N N 7 113.574 113.574 118.279 -4.705 18046 32 1 1 . 1 1 7 7 SER HA H 7 5.420 5.420 4.876 0.544 18046 33 1 1 . 1 1 7 7 SER C C 7 175.632 175.632 172.865 2.767 18046 34 1 1 . 1 1 7 7 SER CA C 7 55.400 55.400 56.193 -0.793 18046 35 1 1 . 1 1 7 7 SER CB C 7 65.900 65.900 65.609 0.291 18046 36 1 1 . 1 1 7 7 SER H H 7 7.873 7.873 8.169 -0.296 18046 37 1 1 . 1 1 8 8 ASN N N 8 126.153 126.153 122.017 4.136 18046 38 1 1 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.091 0.549 18046 39 1 1 . 1 1 8 8 ASN C C 8 178.392 178.392 175.807 2.585 18046 40 1 1 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.515 -1.015 18046 41 1 1 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.209 -1.109 18046 42 1 1 . 1 1 8 8 ASN H H 8 10.299 10.299 8.826 1.473 18046 43 1 1 . 1 1 9 9 LYS N N 9 123.420 123.420 123.127 0.293 18046 44 1 1 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.185 0.045 18046 45 1 1 . 1 1 9 9 LYS C C 9 177.891 177.891 177.120 0.771 18046 46 1 1 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.012 0.788 18046 47 1 1 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.722 -0.822 18046 48 1 1 . 1 1 9 9 LYS H H 9 9.064 9.064 8.496 0.568 18046 49 1 1 . 1 1 10 10 THR N N 10 110.292 110.292 108.300 1.992 18046 50 1 1 . 1 1 10 10 THR HA H 10 4.480 4.480 4.494 -0.014 18046 51 1 1 . 1 1 10 10 THR C C 10 175.392 175.392 175.818 -0.426 18046 52 1 1 . 1 1 10 10 THR CA C 10 63.100 63.100 62.368 0.732 18046 53 1 1 . 1 1 10 10 THR CB C 10 70.100 70.100 70.001 0.099 18046 54 1 1 . 1 1 10 10 THR H H 10 8.525 8.525 7.892 0.633 18046 55 1 1 . 1 1 11 11 GLY N N 11 110.668 110.668 110.191 0.477 18046 56 1 1 . 1 1 11 11 GLY C C 11 172.867 172.867 173.654 -0.787 18046 57 1 1 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.112 -0.412 18046 58 1 1 . 1 1 11 11 GLY H H 11 8.266 8.266 8.109 0.157 18046 59 1 1 . 1 1 12 12 ARG N N 12 118.170 118.170 120.301 -2.131 18046 60 1 1 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.705 -0.045 18046 61 1 1 . 1 1 12 12 ARG C C 12 173.924 173.924 174.596 -0.672 18046 62 1 1 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.733 -0.833 18046 63 1 1 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.912 -0.112 18046 64 1 1 . 1 1 12 12 ARG H H 12 7.538 7.538 7.835 -0.297 18046 65 1 1 . 1 1 13 13 PHE N N 13 121.956 121.956 123.141 -1.185 18046 66 1 1 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.608 -0.074 18046 67 1 1 . 1 1 13 13 PHE C C 13 174.005 174.005 174.298 -0.293 18046 68 1 1 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.540 1.960 18046 69 1 1 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.923 -0.923 18046 70 1 1 . 1 1 13 13 PHE H H 13 8.926 8.926 8.625 0.301 18046 71 1 1 . 1 1 14 14 LEU N N 14 129.824 129.824 127.125 2.699 18046 72 1 1 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.231 0.079 18046 73 1 1 . 1 1 14 14 LEU C C 14 173.801 173.801 174.133 -0.332 18046 74 1 1 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.905 1.295 18046 75 1 1 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.063 1.537 18046 76 1 1 . 1 1 14 14 LEU H H 14 8.114 8.114 7.312 0.802 18046 77 1 1 . 1 1 15 15 ALA N N 15 125.201 125.201 125.400 -0.199 18046 78 1 1 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.388 1.142 18046 79 1 1 . 1 1 15 15 ALA C C 15 177.178 177.178 176.556 0.622 18046 80 1 1 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.339 -1.539 18046 81 1 1 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.252 0.548 18046 82 1 1 . 1 1 15 15 ALA H H 15 8.234 8.234 8.182 0.052 18046 83 1 1 . 1 1 16 16 THR N N 16 119.393 119.393 119.187 0.206 18046 84 1 1 . 1 1 16 16 THR HA H 16 4.654 4.654 4.552 0.102 18046 85 1 1 . 1 1 16 16 THR C C 16 173.434 173.434 172.245 1.189 18046 86 1 1 . 1 1 16 16 THR CA C 16 61.261 61.261 60.826 0.435 18046 87 1 1 . 1 1 16 16 THR CB C 16 71.500 71.500 71.641 -0.141 18046 88 1 1 . 1 1 16 16 THR H H 16 9.149 9.149 7.998 1.151 18046 89 1 1 . 1 1 17 17 GLU N N 17 128.928 128.928 122.814 6.114 18046 90 1 1 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.430 -0.040 18046 91 1 1 . 1 1 17 17 GLU C C 17 175.799 175.799 175.104 0.695 18046 92 1 1 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.820 1.980 18046 93 1 1 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.823 -2.423 18046 94 1 1 . 1 1 17 17 GLU H H 17 9.269 9.269 8.508 0.761 18046 95 1 1 . 1 1 18 18 ILE N N 18 129.185 129.185 125.869 3.316 18046 96 1 1 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.135 0.255 18046 97 1 1 . 1 1 18 18 ILE C C 18 176.202 176.202 174.788 1.414 18046 98 1 1 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.677 1.023 18046 99 1 1 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.972 -1.872 18046 100 1 1 . 1 1 18 18 ILE H H 18 8.814 8.814 8.318 0.496 18046 101 1 1 . 1 1 19 19 VAL N N 19 127.068 127.068 125.900 1.168 18046 102 1 1 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.628 0.652 18046 103 1 1 . 1 1 19 19 VAL C C 19 175.632 175.632 175.620 0.012 18046 104 1 1 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.180 -0.580 18046 105 1 1 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.311 0.189 18046 106 1 1 . 1 1 19 19 VAL H H 19 8.600 8.600 8.113 0.487 18046 107 1 1 . 1 1 20 20 ASP N N 20 122.793 122.793 123.788 -0.995 18046 108 1 1 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.192 0.098 18046 109 1 1 . 1 1 20 20 ASP C C 20 175.742 175.742 175.229 0.513 18046 110 1 1 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.558 -0.458 18046 111 1 1 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.913 -0.913 18046 112 1 1 . 1 1 20 20 ASP H H 20 9.037 9.037 8.353 0.684 18046 113 1 1 . 1 1 21 21 PHE N N 21 113.443 113.443 123.575 -10.132 18046 114 1 1 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.754 0.056 18046 115 1 1 . 1 1 21 21 PHE C C 21 175.062 175.062 175.655 -0.593 18046 116 1 1 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.425 0.775 18046 117 1 1 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.458 -0.557 18046 118 1 1 . 1 1 21 21 PHE H H 21 6.542 6.542 7.750 -1.208 18046 119 1 1 . 1 1 22 22 THR N N 22 112.200 112.200 112.509 -0.309 18046 120 1 1 . 1 1 22 22 THR HA H 22 4.900 4.900 4.511 0.389 18046 121 1 1 . 1 1 22 22 THR C C 22 175.307 175.307 175.322 -0.015 18046 122 1 1 . 1 1 22 22 THR CA C 22 60.400 60.400 60.519 -0.119 18046 123 1 1 . 1 1 22 22 THR CB C 22 73.300 73.300 70.959 2.341 18046 124 1 1 . 1 1 22 22 THR H H 22 9.640 9.640 8.231 1.409 18046 125 1 1 . 1 1 23 23 GLN N N 23 122.406 122.406 117.418 4.988 18046 126 1 1 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.078 -0.398 18046 127 1 1 . 1 1 23 23 GLN C C 23 176.527 176.527 176.690 -0.163 18046 128 1 1 . 1 1 23 23 GLN CA C 23 59.000 59.000 57.966 1.034 18046 129 1 1 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.321 -0.721 18046 130 1 1 . 1 1 23 23 GLN H H 23 9.766 9.766 8.625 1.141 18046 131 1 1 . 1 1 24 24 ASP N N 24 114.153 114.153 119.108 -4.955 18046 132 1 1 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.485 -0.385 18046 133 1 1 . 1 1 24 24 ASP C C 24 176.528 176.528 177.266 -0.738 18046 134 1 1 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.190 -0.290 18046 135 1 1 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.717 0.043 18046 136 1 1 . 1 1 24 24 ASP H H 24 7.760 7.760 7.743 0.017 18046 137 1 1 . 1 1 25 25 ASP N N 25 116.379 116.379 117.303 -0.924 18046 138 1 1 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.737 -0.197 18046 139 1 1 . 1 1 25 25 ASP C C 25 175.059 175.059 176.305 -1.246 18046 140 1 1 . 1 1 25 25 ASP CA C 25 56.200 56.200 54.686 1.514 18046 141 1 1 . 1 1 25 25 ASP CB C 25 42.500 42.500 42.066 0.434 18046 142 1 1 . 1 1 25 25 ASP H H 25 7.655 7.655 7.990 -0.335 18046 143 1 1 . 1 1 26 26 LEU N N 26 118.095 118.095 122.290 -4.195 18046 144 1 1 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.191 -0.911 18046 145 1 1 . 1 1 26 26 LEU C C 26 174.177 174.177 176.127 -1.950 18046 146 1 1 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.407 -1.507 18046 147 1 1 . 1 1 26 26 LEU CB C 26 39.300 39.300 41.891 -2.591 18046 148 1 1 . 1 1 26 26 LEU H H 26 7.309 7.309 7.278 0.031 18046 149 1 1 . 1 1 27 27 ASP N N 27 127.757 127.757 125.528 2.229 18046 150 1 1 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.546 0.254 18046 151 1 1 . 1 1 27 27 ASP C C 27 177.178 177.178 177.533 -0.355 18046 152 1 1 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.407 -0.907 18046 153 1 1 . 1 1 27 27 ASP CB C 27 43.500 43.500 42.161 1.339 18046 154 1 1 . 1 1 27 27 ASP H H 27 8.612 8.612 8.304 0.308 18046 155 1 1 . 1 1 28 28 GLU N N 28 124.674 124.674 120.062 4.612 18046 156 1 1 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.167 0.223 18046 157 1 1 . 1 1 28 28 GLU C C 28 175.019 175.019 176.348 -1.329 18046 158 1 1 . 1 1 28 28 GLU CA C 28 57.700 57.700 59.137 -1.437 18046 159 1 1 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.190 -0.590 18046 160 1 1 . 1 1 28 28 GLU H H 28 8.632 8.632 8.769 -0.137 18046 161 1 1 . 1 1 29 29 ASN N N 29 115.882 115.882 118.364 -2.482 18046 162 1 1 . 1 1 29 29 ASN HA H 29 4.630 4.630 5.007 -0.377 18046 163 1 1 . 1 1 29 29 ASN C C 29 175.382 175.382 173.661 1.721 18046 164 1 1 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.543 0.257 18046 165 1 1 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.956 0.044 18046 166 1 1 . 1 1 29 29 ASN H H 29 9.360 9.360 8.314 1.046 18046 167 1 1 . 1 1 30 30 ASP N N 30 127.013 127.013 121.751 5.262 18046 168 1 1 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.830 0.720 18046 169 1 1 . 1 1 30 30 ASP C C 30 172.009 172.009 174.516 -2.507 18046 170 1 1 . 1 1 30 30 ASP CA C 30 54.200 54.200 52.815 1.385 18046 171 1 1 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.842 -0.042 18046 172 1 1 . 1 1 30 30 ASP H H 30 8.710 8.710 8.540 0.170 18046 173 1 1 . 1 1 31 31 VAL N N 31 112.784 112.784 120.714 -7.930 18046 174 1 1 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.296 1.104 18046 175 1 1 . 1 1 31 31 VAL C C 31 173.273 173.273 175.186 -1.913 18046 176 1 1 . 1 1 31 31 VAL CA C 31 60.000 60.000 61.908 -1.908 18046 177 1 1 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.344 3.456 18046 178 1 1 . 1 1 31 31 VAL H H 31 7.364 7.364 8.419 -1.055 18046 179 1 1 . 1 1 32 32 TYR N N 32 120.917 120.917 126.338 -5.421 18046 180 1 1 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.416 0.254 18046 181 1 1 . 1 1 32 32 TYR C C 32 174.735 174.735 175.516 -0.781 18046 182 1 1 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.447 1.353 18046 183 1 1 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.471 1.629 18046 184 1 1 . 1 1 32 32 TYR H H 32 9.698 9.698 8.011 1.687 18046 185 1 1 . 1 1 33 33 LEU N N 33 119.790 119.790 119.591 0.199 18046 186 1 1 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.645 1.065 18046 187 1 1 . 1 1 33 33 LEU C C 33 175.551 175.551 175.197 0.354 18046 188 1 1 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.486 -2.006 18046 189 1 1 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.030 0.255 18046 190 1 1 . 1 1 33 33 LEU H H 33 9.111 9.111 8.698 0.413 18046 191 1 1 . 1 1 34 34 LEU N N 34 125.829 125.829 126.479 -0.650 18046 192 1 1 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.167 0.243 18046 193 1 1 . 1 1 34 34 LEU C C 34 174.819 174.819 174.750 0.069 18046 194 1 1 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.389 -0.069 18046 195 1 1 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.193 -0.613 18046 196 1 1 . 1 1 34 34 LEU H H 34 9.847 9.847 8.122 1.725 18046 197 1 1 . 1 1 35 35 ASP N N 35 126.739 126.739 128.431 -1.692 18046 198 1 1 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.993 0.147 18046 199 1 1 . 1 1 35 35 ASP C C 35 176.690 176.690 175.578 1.112 18046 200 1 1 . 1 1 35 35 ASP CA C 35 53.600 53.600 53.915 -0.315 18046 201 1 1 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.280 0.920 18046 202 1 1 . 1 1 35 35 ASP H H 35 9.740 9.740 8.640 1.100 18046 203 1 1 . 1 1 36 36 THR N N 36 118.603 118.603 113.736 4.867 18046 204 1 1 . 1 1 36 36 THR HA H 36 4.290 4.290 4.338 -0.048 18046 205 1 1 . 1 1 36 36 THR C C 36 175.471 175.471 174.605 0.866 18046 206 1 1 . 1 1 36 36 THR CA C 36 60.800 60.800 59.581 1.219 18046 207 1 1 . 1 1 36 36 THR CB C 36 68.500 68.500 70.594 -2.094 18046 208 1 1 . 1 1 36 36 THR H H 36 8.596 8.596 7.748 0.848 18046 209 1 1 . 1 1 37 37 TRP N N 37 122.021 122.021 122.253 -0.232 18046 210 1 1 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.493 -0.443 18046 211 1 1 . 1 1 37 37 TRP C C 37 177.341 177.341 176.293 1.048 18046 212 1 1 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.503 2.297 18046 213 1 1 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.634 -0.634 18046 214 1 1 . 1 1 37 37 TRP H H 37 9.090 9.090 8.371 0.719 18046 215 1 1 . 1 1 38 38 ASP N N 38 117.786 117.786 117.877 -0.091 18046 216 1 1 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.735 -0.345 18046 217 1 1 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.230 -0.230 18046 218 1 1 . 1 1 38 38 ASP CB C 38 41.300 41.300 42.179 -0.879 18046 219 1 1 . 1 1 38 38 ASP H H 38 8.676 8.676 7.769 0.907 18046 220 1 1 . 1 1 39 39 GLN N N 39 110.693 110.693 114.571 -3.878 18046 221 1 1 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.455 0.035 18046 222 1 1 . 1 1 39 39 GLN C C 39 173.398 173.398 174.370 -0.972 18046 223 1 1 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.319 -0.519 18046 224 1 1 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.468 0.732 18046 225 1 1 . 1 1 39 39 GLN H H 39 7.325 7.325 7.938 -0.613 18046 226 1 1 . 1 1 40 40 ILE N N 40 120.287 120.287 122.419 -2.132 18046 227 1 1 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.630 0.350 18046 228 1 1 . 1 1 40 40 ILE C C 40 175.143 175.143 175.576 -0.433 18046 229 1 1 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.658 -1.558 18046 230 1 1 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.697 1.002 18046 231 1 1 . 1 1 40 40 ILE H H 40 8.663 8.663 8.629 0.034 18046 232 1 1 . 1 1 41 41 PHE N N 41 124.653 124.653 126.859 -2.206 18046 233 1 1 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.899 0.591 18046 234 1 1 . 1 1 41 41 PHE C C 41 174.167 174.167 175.163 -0.996 18046 235 1 1 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.027 0.373 18046 236 1 1 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.167 2.033 18046 237 1 1 . 1 1 41 41 PHE H H 41 9.555 9.555 9.338 0.217 18046 238 1 1 . 1 1 42 42 PHE N N 42 128.681 128.681 125.286 3.395 18046 239 1 1 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.905 0.675 18046 240 1 1 . 1 1 42 42 PHE C C 42 172.940 172.940 174.897 -1.957 18046 241 1 1 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.824 -1.124 18046 242 1 1 . 1 1 42 42 PHE CB C 42 41.000 41.000 38.860 2.140 18046 243 1 1 . 1 1 42 42 PHE H H 42 9.647 9.647 8.414 1.233 18046 244 1 1 . 1 1 43 43 TRP N N 43 128.634 128.634 126.052 2.582 18046 245 1 1 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.805 0.475 18046 246 1 1 . 1 1 43 43 TRP C C 43 175.877 175.877 174.678 1.199 18046 247 1 1 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.631 1.369 18046 248 1 1 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.835 2.365 18046 249 1 1 . 1 1 43 43 TRP H H 43 9.997 9.997 8.794 1.203 18046 250 1 1 . 1 1 44 44 ILE N N 44 126.166 126.166 126.441 -0.275 18046 251 1 1 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.520 -0.370 18046 252 1 1 . 1 1 44 44 ILE C C 44 175.190 175.190 175.575 -0.385 18046 253 1 1 . 1 1 44 44 ILE CA C 44 60.500 60.500 60.309 0.191 18046 254 1 1 . 1 1 44 44 ILE CB C 44 39.300 39.300 39.315 -0.015 18046 255 1 1 . 1 1 44 44 ILE H H 44 8.359 8.359 7.806 0.553 18046 256 1 1 . 1 1 45 45 GLY N N 45 119.260 119.260 114.573 4.687 18046 257 1 1 . 1 1 45 45 GLY C C 45 176.163 176.163 174.554 1.609 18046 258 1 1 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.978 1.622 18046 259 1 1 . 1 1 45 45 GLY H H 45 7.603 7.603 8.196 -0.593 18046 260 1 1 . 1 1 46 46 LYS N N 46 124.868 124.868 119.475 5.393 18046 261 1 1 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.409 -0.339 18046 262 1 1 . 1 1 46 46 LYS C C 46 177.700 177.700 177.412 0.288 18046 263 1 1 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.397 1.803 18046 264 1 1 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.268 -0.868 18046 265 1 1 . 1 1 46 46 LYS H H 46 9.104 9.104 8.335 0.769 18046 266 1 1 . 1 1 47 47 GLY N N 47 106.230 106.230 107.711 -1.481 18046 267 1 1 . 1 1 47 47 GLY C C 47 175.326 175.326 174.001 1.325 18046 268 1 1 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.274 -1.074 18046 269 1 1 . 1 1 47 47 GLY H H 47 8.954 8.954 8.080 0.874 18046 270 1 1 . 1 1 48 48 ALA N N 48 125.925 125.925 122.867 3.058 18046 271 1 1 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.166 0.454 18046 272 1 1 . 1 1 48 48 ALA C C 48 177.829 177.829 177.506 0.323 18046 273 1 1 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.332 0.368 18046 274 1 1 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.682 1.218 18046 275 1 1 . 1 1 48 48 ALA H H 48 7.484 7.484 7.909 -0.425 18046 276 1 1 . 1 1 49 49 ASN N N 49 119.683 119.683 123.293 -3.610 18046 277 1 1 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.595 0.505 18046 278 1 1 . 1 1 49 49 ASN C C 49 175.874 175.874 176.963 -1.089 18046 279 1 1 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.834 -2.234 18046 280 1 1 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.518 1.482 18046 281 1 1 . 1 1 49 49 ASN H H 49 8.921 8.921 8.344 0.577 18046 282 1 1 . 1 1 50 50 GLU N N 50 118.057 118.057 120.903 -2.846 18046 283 1 1 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.115 -0.115 18046 284 1 1 . 1 1 50 50 GLU C C 50 178.722 178.722 178.219 0.503 18046 285 1 1 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.427 0.173 18046 286 1 1 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.712 -0.112 18046 287 1 1 . 1 1 50 50 GLU H H 50 8.828 8.828 9.021 -0.193 18046 288 1 1 . 1 1 51 51 SER N N 51 115.397 115.397 114.768 0.629 18046 289 1 1 . 1 1 51 51 SER HA H 51 4.350 4.350 4.214 0.136 18046 290 1 1 . 1 1 51 51 SER C C 51 177.932 177.932 176.337 1.595 18046 291 1 1 . 1 1 51 51 SER CA C 51 61.800 61.800 61.341 0.459 18046 292 1 1 . 1 1 51 51 SER CB C 51 62.700 62.700 62.800 -0.099 18046 293 1 1 . 1 1 51 51 SER H H 51 8.401 8.401 8.385 0.016 18046 294 1 1 . 1 1 52 52 GLU N N 52 122.271 122.271 122.157 0.114 18046 295 1 1 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.097 0.003 18046 296 1 1 . 1 1 52 52 GLU C C 52 177.665 177.665 178.478 -0.813 18046 297 1 1 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.847 -0.647 18046 298 1 1 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.917 -0.517 18046 299 1 1 . 1 1 52 52 GLU H H 52 8.566 8.566 8.377 0.189 18046 300 1 1 . 1 1 53 53 LYS N N 53 119.319 119.319 118.339 0.980 18046 301 1 1 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.965 0.075 18046 302 1 1 . 1 1 53 53 LYS C C 53 178.727 178.727 178.401 0.326 18046 303 1 1 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.166 1.734 18046 304 1 1 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.167 0.433 18046 305 1 1 . 1 1 53 53 LYS H H 53 7.704 7.704 7.558 0.146 18046 306 1 1 . 1 1 54 54 GLU N N 54 119.268 119.268 118.848 0.420 18046 307 1 1 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.121 -0.061 18046 308 1 1 . 1 1 54 54 GLU C C 54 179.211 179.211 178.307 0.904 18046 309 1 1 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.018 0.482 18046 310 1 1 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.716 0.184 18046 311 1 1 . 1 1 54 54 GLU H H 54 8.173 8.173 7.309 0.864 18046 312 1 1 . 1 1 55 55 ALA N N 55 121.311 121.311 121.933 -0.622 18046 313 1 1 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.814 0.136 18046 314 1 1 . 1 1 55 55 ALA C C 55 180.920 180.920 179.345 1.575 18046 315 1 1 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.673 -0.173 18046 316 1 1 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.126 -1.326 18046 317 1 1 . 1 1 55 55 ALA H H 55 7.954 7.954 8.335 -0.381 18046 318 1 1 . 1 1 56 56 ALA N N 56 123.395 123.395 119.373 4.022 18046 319 1 1 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.135 -0.115 18046 320 1 1 . 1 1 56 56 ALA C C 56 178.383 178.383 178.927 -0.544 18046 321 1 1 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.574 0.826 18046 322 1 1 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.302 1.298 18046 323 1 1 . 1 1 56 56 ALA H H 56 8.393 8.393 8.094 0.299 18046 324 1 1 . 1 1 57 57 ALA N N 57 120.754 120.754 121.001 -0.247 18046 325 1 1 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.834 0.086 18046 326 1 1 . 1 1 57 57 ALA C C 57 180.433 180.433 179.528 0.905 18046 327 1 1 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.682 1.018 18046 328 1 1 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.488 -0.788 18046 329 1 1 . 1 1 57 57 ALA H H 57 7.690 7.690 7.341 0.349 18046 330 1 1 . 1 1 58 58 GLU N N 58 118.337 118.337 118.353 -0.016 18046 331 1 1 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.105 -0.005 18046 332 1 1 . 1 1 58 58 GLU C C 58 179.210 179.210 178.996 0.214 18046 333 1 1 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.234 -0.034 18046 334 1 1 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.703 -0.403 18046 335 1 1 . 1 1 58 58 GLU H H 58 7.423 7.423 7.849 -0.426 18046 336 1 1 . 1 1 59 59 THR N N 59 118.744 118.744 115.549 3.195 18046 337 1 1 . 1 1 59 59 THR HA H 59 3.860 3.860 4.012 -0.152 18046 338 1 1 . 1 1 59 59 THR C C 59 175.722 175.722 175.934 -0.212 18046 339 1 1 . 1 1 59 59 THR CA C 59 67.420 67.420 65.932 1.488 18046 340 1 1 . 1 1 59 59 THR CB C 59 68.590 68.590 68.342 0.248 18046 341 1 1 . 1 1 59 59 THR H H 59 8.354 8.354 8.383 -0.029 18046 342 1 1 . 1 1 60 60 ALA N N 60 122.991 122.991 122.962 0.029 18046 343 1 1 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.777 -0.047 18046 344 1 1 . 1 1 60 60 ALA C C 60 178.155 178.155 179.161 -1.006 18046 345 1 1 . 1 1 60 60 ALA CA C 60 55.700 55.700 55.034 0.666 18046 346 1 1 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.092 -0.292 18046 347 1 1 . 1 1 60 60 ALA H H 60 8.294 8.294 7.416 0.878 18046 348 1 1 . 1 1 61 61 GLN N N 61 113.649 113.649 116.926 -3.277 18046 349 1 1 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.915 0.075 18046 350 1 1 . 1 1 61 61 GLN C C 61 178.640 178.640 178.246 0.394 18046 351 1 1 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.706 -0.787 18046 352 1 1 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.160 0.300 18046 353 1 1 . 1 1 61 61 GLN H H 61 7.215 7.215 8.223 -1.008 18046 354 1 1 . 1 1 62 62 GLU N N 62 120.684 120.684 118.699 1.985 18046 355 1 1 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.005 0.035 18046 356 1 1 . 1 1 62 62 GLU C C 62 179.047 179.047 178.951 0.096 18046 357 1 1 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.126 0.075 18046 358 1 1 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.284 0.016 18046 359 1 1 . 1 1 62 62 GLU H H 62 8.126 8.126 7.796 0.330 18046 360 1 1 . 1 1 63 63 TYR N N 63 122.118 122.118 120.513 1.605 18046 361 1 1 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.156 0.074 18046 362 1 1 . 1 1 63 63 TYR C C 63 178.643 178.643 177.266 1.377 18046 363 1 1 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.859 -0.760 18046 364 1 1 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.617 -0.817 18046 365 1 1 . 1 1 63 63 TYR H H 63 8.796 8.796 7.713 1.083 18046 366 1 1 . 1 1 64 64 LEU N N 64 119.163 119.163 118.357 0.806 18046 367 1 1 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.895 -0.215 18046 368 1 1 . 1 1 64 64 LEU C C 64 178.475 178.475 179.498 -1.023 18046 369 1 1 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.089 -0.089 18046 370 1 1 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.688 1.812 18046 371 1 1 . 1 1 64 64 LEU H H 64 7.799 7.799 7.679 0.120 18046 372 1 1 . 1 1 65 65 ARG N N 65 116.868 116.868 115.913 0.955 18046 373 1 1 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.073 -0.003 18046 374 1 1 . 1 1 65 65 ARG C C 65 177.464 177.464 177.115 0.349 18046 375 1 1 . 1 1 65 65 ARG CA C 65 58.600 58.600 57.952 0.648 18046 376 1 1 . 1 1 65 65 ARG CB C 65 30.800 30.800 30.037 0.763 18046 377 1 1 . 1 1 65 65 ARG H H 65 7.842 7.842 7.629 0.213 18046 378 1 1 . 1 1 66 66 SER N N 66 112.527 112.527 112.346 0.181 18046 379 1 1 . 1 1 66 66 SER HA H 66 4.360 4.360 4.231 0.129 18046 380 1 1 . 1 1 66 66 SER C C 66 174.087 174.087 174.842 -0.755 18046 381 1 1 . 1 1 66 66 SER CA C 66 59.440 59.440 59.639 -0.199 18046 382 1 1 . 1 1 66 66 SER CB C 66 64.120 64.120 63.475 0.645 18046 383 1 1 . 1 1 66 66 SER H H 66 7.907 7.907 7.593 0.314 18046 384 1 1 . 1 1 67 67 HIS N N 67 123.090 123.090 121.674 1.416 18046 385 1 1 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.762 -0.102 18046 386 1 1 . 1 1 67 67 HIS CA C 67 55.400 55.400 52.647 2.753 18046 387 1 1 . 1 1 67 67 HIS CB C 67 29.600 29.600 30.658 -1.058 18046 388 1 1 . 1 1 67 67 HIS H H 67 7.515 7.515 7.338 0.177 18046 389 1 1 . 1 1 68 68 PRO C C 68 176.365 176.365 176.993 -0.628 18046 390 1 1 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.343 6.017 18046 391 1 1 . 1 1 69 69 GLY N N 69 124.202 124.202 105.836 18.366 18046 392 1 1 . 1 1 69 69 GLY C C 69 174.331 174.331 173.441 0.890 18046 393 1 1 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.620 1.080 18046 394 1 1 . 1 1 69 69 GLY H H 69 8.166 8.166 8.264 -0.098 18046 395 1 1 . 1 1 70 70 SER N N 70 115.467 115.467 116.276 -0.809 18046 396 1 1 . 1 1 70 70 SER HA H 70 4.450 4.450 4.577 -0.127 18046 397 1 1 . 1 1 70 70 SER C C 70 174.329 174.329 175.613 -1.284 18046 398 1 1 . 1 1 70 70 SER CA C 70 58.640 58.640 59.000 -0.360 18046 399 1 1 . 1 1 70 70 SER CB C 70 63.040 63.040 64.325 -1.285 18046 400 1 1 . 1 1 70 70 SER H H 70 8.280 8.280 8.823 -0.543 18046 401 1 1 . 1 1 71 71 ARG N N 71 120.585 120.585 121.024 -0.439 18046 402 1 1 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.544 -0.314 18046 403 1 1 . 1 1 71 71 ARG C C 71 175.793 175.793 175.505 0.288 18046 404 1 1 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.489 -0.389 18046 405 1 1 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.506 0.894 18046 406 1 1 . 1 1 71 71 ARG H H 71 8.341 8.341 8.323 0.018 18046 407 1 1 . 1 1 72 72 ASP N N 72 120.258 120.258 118.407 1.851 18046 408 1 1 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.385 0.055 18046 409 1 1 . 1 1 72 72 ASP C C 72 178.038 178.038 176.865 1.173 18046 410 1 1 . 1 1 72 72 ASP CA C 72 54.530 54.530 56.832 -2.302 18046 411 1 1 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.316 0.454 18046 412 1 1 . 1 1 72 72 ASP H H 72 8.471 8.471 8.381 0.090 18046 413 1 1 . 1 1 73 73 LEU N N 73 127.518 127.518 115.965 11.553 18046 414 1 1 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.252 -0.162 18046 415 1 1 . 1 1 73 73 LEU C C 73 177.417 177.417 177.376 0.041 18046 416 1 1 . 1 1 73 73 LEU CA C 73 57.000 57.000 55.998 1.002 18046 417 1 1 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.613 -1.613 18046 418 1 1 . 1 1 73 73 LEU H H 73 8.826 8.826 7.785 1.041 18046 419 1 1 . 1 1 74 74 ASP N N 74 117.787 117.787 116.667 1.120 18046 420 1 1 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.494 0.246 18046 421 1 1 . 1 1 74 74 ASP C C 74 175.765 175.765 176.716 -0.951 18046 422 1 1 . 1 1 74 74 ASP CA C 74 53.900 53.900 55.871 -1.971 18046 423 1 1 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.906 -0.436 18046 424 1 1 . 1 1 74 74 ASP H H 74 8.480 8.480 8.110 0.370 18046 425 1 1 . 1 1 75 75 THR N N 75 119.682 119.682 117.443 2.239 18046 426 1 1 . 1 1 75 75 THR HA H 75 4.210 4.210 4.362 -0.152 18046 427 1 1 . 1 1 75 75 THR CA C 75 62.440 62.440 61.752 0.688 18046 428 1 1 . 1 1 75 75 THR CB C 75 70.940 70.940 69.142 1.798 18046 429 1 1 . 1 1 75 75 THR H H 75 7.303 7.303 7.578 -0.275 18046 430 1 1 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.395 -0.155 18046 431 1 1 . 1 1 76 76 PRO C C 76 174.823 174.823 175.735 -0.912 18046 432 1 1 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.517 1.083 18046 433 1 1 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.233 0.867 18046 434 1 1 . 1 1 77 77 ILE N N 77 121.906 121.906 120.586 1.320 18046 435 1 1 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.895 1.095 18046 436 1 1 . 1 1 77 77 ILE C C 77 176.571 176.571 176.541 0.030 18046 437 1 1 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.481 -0.981 18046 438 1 1 . 1 1 77 77 ILE CB C 77 38.100 38.100 39.275 -1.175 18046 439 1 1 . 1 1 77 77 ILE H H 77 8.052 8.052 7.907 0.145 18046 440 1 1 . 1 1 78 78 ILE N N 78 130.054 130.054 127.982 2.072 18046 441 1 1 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.018 0.282 18046 442 1 1 . 1 1 78 78 ILE C C 78 175.471 175.471 175.299 0.172 18046 443 1 1 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.805 -1.005 18046 444 1 1 . 1 1 78 78 ILE CB C 78 39.300 39.300 36.979 2.321 18046 445 1 1 . 1 1 78 78 ILE H H 78 8.977 8.977 8.317 0.660 18046 446 1 1 . 1 1 79 79 VAL N N 79 130.072 130.072 127.661 2.411 18046 447 1 1 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.955 0.735 18046 448 1 1 . 1 1 79 79 VAL C C 79 176.024 176.024 175.871 0.153 18046 449 1 1 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.512 0.388 18046 450 1 1 . 1 1 79 79 VAL CB C 79 31.700 31.700 31.887 -0.187 18046 451 1 1 . 1 1 79 79 VAL H H 79 8.872 8.872 8.002 0.870 18046 452 1 1 . 1 1 80 80 VAL N N 80 129.055 129.055 126.283 2.772 18046 453 1 1 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.310 0.110 18046 454 1 1 . 1 1 80 80 VAL C C 80 173.028 173.028 174.574 -1.546 18046 455 1 1 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.606 -0.606 18046 456 1 1 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.342 1.058 18046 457 1 1 . 1 1 80 80 VAL H H 80 9.608 9.608 8.204 1.404 18046 458 1 1 . 1 1 81 81 LYS N N 81 123.854 123.854 122.099 1.755 18046 459 1 1 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.877 -0.707 18046 460 1 1 . 1 1 81 81 LYS C C 81 175.225 175.225 175.821 -0.596 18046 461 1 1 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.755 0.345 18046 462 1 1 . 1 1 81 81 LYS CB C 81 34.200 34.200 35.259 -1.059 18046 463 1 1 . 1 1 81 81 LYS H H 81 8.441 8.441 8.369 0.072 18046 464 1 1 . 1 1 82 82 GLN N N 82 121.237 121.237 120.351 0.886 18046 465 1 1 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.098 -0.138 18046 466 1 1 . 1 1 82 82 GLN C C 82 177.016 177.016 176.503 0.513 18046 467 1 1 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.834 -0.334 18046 468 1 1 . 1 1 82 82 GLN CB C 82 28.100 28.100 28.170 -0.070 18046 469 1 1 . 1 1 82 82 GLN H H 82 6.493 6.493 8.627 -2.134 18046 470 1 1 . 1 1 83 83 GLY N N 83 118.629 118.629 113.980 4.649 18046 471 1 1 . 1 1 83 83 GLY C C 83 174.491 174.491 172.941 1.550 18046 472 1 1 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.342 1.058 18046 473 1 1 . 1 1 83 83 GLY H H 83 10.072 10.072 8.414 1.658 18046 474 1 1 . 1 1 84 84 PHE N N 84 120.834 120.834 120.227 0.607 18046 475 1 1 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.629 0.281 18046 476 1 1 . 1 1 84 84 PHE C C 84 177.056 177.056 174.368 2.688 18046 477 1 1 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.259 -0.759 18046 478 1 1 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.750 -2.050 18046 479 1 1 . 1 1 84 84 PHE H H 84 8.431 8.431 7.267 1.164 18046 480 1 1 . 1 1 85 85 GLU N N 85 125.174 125.174 125.272 -0.098 18046 481 1 1 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.788 -0.678 18046 482 1 1 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.716 4.164 18046 483 1 1 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.357 -3.187 18046 484 1 1 . 1 1 85 85 GLU H H 85 10.207 10.207 8.541 1.666 18046 485 1 1 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.572 0.178 18046 486 1 1 . 1 1 87 87 PRO C C 87 178.401 178.401 178.234 0.167 18046 487 1 1 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.999 -0.499 18046 488 1 1 . 1 1 87 87 PRO CB C 87 31.400 31.400 32.017 -0.617 18046 489 1 1 . 1 1 88 88 THR N N 88 107.088 107.088 112.225 -5.137 18046 490 1 1 . 1 1 88 88 THR HA H 88 4.080 4.080 4.114 -0.034 18046 491 1 1 . 1 1 88 88 THR C C 88 174.325 174.325 175.638 -1.313 18046 492 1 1 . 1 1 88 88 THR CA C 88 63.200 63.200 65.443 -2.243 18046 493 1 1 . 1 1 88 88 THR CB C 88 68.300 68.300 68.522 -0.222 18046 494 1 1 . 1 1 88 88 THR H H 88 7.316 7.316 8.305 -0.989 18046 495 1 1 . 1 1 89 89 PHE N N 89 119.031 119.031 122.229 -3.198 18046 496 1 1 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.941 -0.021 18046 497 1 1 . 1 1 89 89 PHE C C 89 175.661 175.661 177.321 -1.660 18046 498 1 1 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.927 -0.927 18046 499 1 1 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.791 2.269 18046 500 1 1 . 1 1 89 89 PHE H H 89 7.437 7.437 7.905 -0.468 18046 501 1 1 . 1 1 90 90 THR N N 90 107.216 107.216 116.425 -9.209 18046 502 1 1 . 1 1 90 90 THR HA H 90 3.210 3.210 3.320 -0.110 18046 503 1 1 . 1 1 90 90 THR C C 90 177.340 177.340 176.412 0.928 18046 504 1 1 . 1 1 90 90 THR CA C 90 65.000 65.000 67.138 -2.138 18046 505 1 1 . 1 1 90 90 THR CB C 90 68.200 68.200 67.836 0.364 18046 506 1 1 . 1 1 90 90 THR H H 90 7.675 7.675 7.931 -0.256 18046 507 1 1 . 1 1 91 91 GLY N N 91 106.674 106.674 108.979 -2.305 18046 508 1 1 . 1 1 91 91 GLY C C 91 174.591 174.591 174.471 0.120 18046 509 1 1 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.293 1.007 18046 510 1 1 . 1 1 91 91 GLY H H 91 7.865 7.865 7.297 0.568 18046 511 1 1 . 1 1 92 92 TRP N N 92 117.951 117.951 118.879 -0.928 18046 512 1 1 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.230 0.260 18046 513 1 1 . 1 1 92 92 TRP C C 92 174.042 174.042 175.476 -1.434 18046 514 1 1 . 1 1 92 92 TRP CA C 92 57.470 57.470 57.053 0.417 18046 515 1 1 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.146 0.483 18046 516 1 1 . 1 1 92 92 TRP H H 92 7.018 7.018 7.151 -0.133 18046 517 1 1 . 1 1 93 93 PHE N N 93 118.863 118.863 115.941 2.922 18046 518 1 1 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.454 0.156 18046 519 1 1 . 1 1 93 93 PHE C C 93 175.872 175.872 176.452 -0.580 18046 520 1 1 . 1 1 93 93 PHE CA C 93 56.900 56.900 55.816 1.084 18046 521 1 1 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.824 -0.024 18046 522 1 1 . 1 1 93 93 PHE H H 93 7.956 7.956 7.632 0.324 18046 523 1 1 . 1 1 94 94 MET N N 94 121.781 121.781 118.535 3.246 18046 524 1 1 . 1 1 94 94 MET HA H 94 4.200 4.200 4.198 0.002 18046 525 1 1 . 1 1 94 94 MET C C 94 175.794 175.794 176.284 -0.490 18046 526 1 1 . 1 1 94 94 MET CA C 94 57.900 57.900 56.996 0.904 18046 527 1 1 . 1 1 94 94 MET CB C 94 32.300 32.300 32.490 -0.190 18046 528 1 1 . 1 1 94 94 MET H H 94 8.825 8.825 8.390 0.435 18046 529 1 1 . 1 1 95 95 ALA N N 95 120.648 120.648 122.242 -1.594 18046 530 1 1 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.450 -0.010 18046 531 1 1 . 1 1 95 95 ALA C C 95 175.600 175.600 176.376 -0.776 18046 532 1 1 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.928 0.872 18046 533 1 1 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.887 1.913 18046 534 1 1 . 1 1 95 95 ALA H H 95 8.037 8.037 7.573 0.464 18046 535 1 1 . 1 1 96 96 TRP N N 96 121.009 121.009 123.703 -2.694 18046 536 1 1 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.449 -0.239 18046 537 1 1 . 1 1 96 96 TRP C C 96 174.409 174.409 175.836 -1.427 18046 538 1 1 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.471 0.329 18046 539 1 1 . 1 1 96 96 TRP CB C 96 30.500 30.500 30.062 0.438 18046 540 1 1 . 1 1 96 96 TRP H H 96 8.481 8.481 8.446 0.035 18046 541 1 1 . 1 1 97 97 ASP N N 97 128.963 128.963 121.940 7.023 18046 542 1 1 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.092 -0.002 18046 543 1 1 . 1 1 97 97 ASP CA C 97 49.560 49.560 51.188 -1.628 18046 544 1 1 . 1 1 97 97 ASP CB C 97 42.530 42.530 43.217 -0.687 18046 545 1 1 . 1 1 97 97 ASP H H 97 8.850 8.850 9.039 -0.189 18046 546 1 1 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.442 0.068 18046 547 1 1 . 1 1 98 98 PRO C C 98 177.169 177.169 177.411 -0.242 18046 548 1 1 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.040 0.160 18046 549 1 1 . 1 1 98 98 PRO CB C 98 32.570 32.570 32.101 0.469 18046 550 1 1 . 1 1 99 99 LEU N N 99 118.381 118.381 119.991 -1.610 18046 551 1 1 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.507 0.023 18046 552 1 1 . 1 1 99 99 LEU C C 99 177.338 177.338 178.159 -0.821 18046 553 1 1 . 1 1 99 99 LEU CA C 99 54.550 54.550 54.586 -0.036 18046 554 1 1 . 1 1 99 99 LEU CB C 99 40.750 40.750 40.454 0.296 18046 555 1 1 . 1 1 99 99 LEU H H 99 8.372 8.372 7.972 0.400 18046 556 1 1 . 1 1 100 100 CYS N N 100 119.396 119.396 119.214 0.182 18046 557 1 1 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.311 -0.701 18046 558 1 1 . 1 1 100 100 CYS C C 100 174.820 174.820 176.130 -1.310 18046 559 1 1 . 1 1 100 100 CYS CA C 100 61.500 61.500 61.847 -0.347 18046 560 1 1 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.539 0.761 18046 561 1 1 . 1 1 100 100 CYS H H 100 7.052 7.052 7.868 -0.816 18046 562 1 1 . 1 1 101 101 TRP N N 101 115.737 115.737 121.053 -5.316 18046 563 1 1 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.640 0.140 18046 564 1 1 . 1 1 101 101 TRP C C 101 176.485 176.485 176.094 0.391 18046 565 1 1 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.479 1.421 18046 566 1 1 . 1 1 101 101 TRP CB C 101 28.100 28.100 28.223 -0.123 18046 567 1 1 . 1 1 101 101 TRP H H 101 7.625 7.625 7.917 -0.292 18046 568 1 1 . 1 1 102 102 SER N N 102 115.896 115.896 115.624 0.272 18046 569 1 1 . 1 1 102 102 SER HA H 102 4.520 4.520 4.269 0.251 18046 570 1 1 . 1 1 102 102 SER C C 102 174.333 174.333 175.318 -0.985 18046 571 1 1 . 1 1 102 102 SER CA C 102 59.200 59.200 60.994 -1.794 18046 572 1 1 . 1 1 102 102 SER CB C 102 64.100 64.100 63.001 1.099 18046 573 1 1 . 1 1 102 102 SER H H 102 7.916 7.916 7.965 -0.049 18046 574 1 1 . 1 1 103 103 ASP N N 103 122.262 122.262 120.894 1.368 18046 575 1 1 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.732 -0.072 18046 576 1 1 . 1 1 103 103 ASP C C 103 176.129 176.129 178.046 -1.917 18046 577 1 1 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.503 -0.803 18046 578 1 1 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.226 -0.226 18046 579 1 1 . 1 1 103 103 ASP H H 103 8.450 8.450 7.870 0.580 18046 580 1 1 . 1 1 104 104 ARG N N 104 120.795 120.795 119.325 1.470 18046 581 1 1 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.848 0.482 18046 582 1 1 . 1 1 104 104 ARG C C 104 176.283 176.283 177.800 -1.517 18046 583 1 1 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.351 -2.151 18046 584 1 1 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.497 1.253 18046 585 1 1 . 1 1 104 104 ARG H H 104 8.117 8.117 8.257 -0.140 18046 586 1 1 . 1 1 105 105 LYS N N 105 122.131 122.131 116.552 5.579 18046 587 1 1 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.213 0.132 18046 588 1 1 . 1 1 105 105 LYS C C 105 176.284 176.284 176.535 -0.251 18046 589 1 1 . 1 1 105 105 LYS CA C 105 56.300 56.300 57.156 -0.856 18046 590 1 1 . 1 1 105 105 LYS CB C 105 33.100 33.100 33.075 0.025 18046 591 1 1 . 1 1 105 105 LYS H H 105 8.294 8.294 7.606 0.688 18046 592 1 1 . 1 1 106 106 SER N N 106 116.993 116.993 114.701 2.292 18046 593 1 1 . 1 1 106 106 SER HA H 106 4.470 4.470 4.638 -0.168 18046 594 1 1 . 1 1 106 106 SER CA C 106 58.300 58.300 57.307 0.993 18046 595 1 1 . 1 1 106 106 SER CB C 106 64.200 64.200 65.234 -1.034 18046 596 1 1 . 1 1 106 106 SER H H 106 8.235 8.235 7.617 0.618 18046 597 1 2 . 1 1 2 2 ARG N N 2 117.203 117.203 118.392 -1.189 18046 598 1 2 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.403 0.647 18046 599 1 2 . 1 1 2 2 ARG C C 2 172.726 172.726 174.194 -1.468 18046 600 1 2 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.716 0.484 18046 601 1 2 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.518 -2.618 18046 602 1 2 . 1 1 2 2 ARG H H 2 8.108 8.108 7.785 0.323 18046 603 1 2 . 1 1 3 3 LEU N N 3 125.261 125.261 119.167 6.094 18046 604 1 2 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.979 0.241 18046 605 1 2 . 1 1 3 3 LEU C C 3 174.166 174.166 175.422 -1.256 18046 606 1 2 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.070 -0.070 18046 607 1 2 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.382 0.018 18046 608 1 2 . 1 1 3 3 LEU H H 3 8.542 8.542 8.212 0.330 18046 609 1 2 . 1 1 4 4 PHE N N 4 123.490 123.490 116.415 7.075 18046 610 1 2 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.771 0.329 18046 611 1 2 . 1 1 4 4 PHE C C 4 174.820 174.820 174.422 0.398 18046 612 1 2 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.261 -0.971 18046 613 1 2 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.962 0.389 18046 614 1 2 . 1 1 4 4 PHE H H 4 9.591 9.591 8.667 0.924 18046 615 1 2 . 1 1 5 5 GLU N N 5 125.718 125.718 125.263 0.455 18046 616 1 2 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.697 -0.677 18046 617 1 2 . 1 1 5 5 GLU C C 5 174.892 174.892 175.863 -0.971 18046 618 1 2 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.384 -0.284 18046 619 1 2 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.157 2.693 18046 620 1 2 . 1 1 5 5 GLU H H 5 9.484 9.484 8.548 0.936 18046 621 1 2 . 1 1 6 6 CYS N N 6 127.915 127.915 126.171 1.744 18046 622 1 2 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.056 -0.036 18046 623 1 2 . 1 1 6 6 CYS C C 6 172.378 172.378 173.831 -1.453 18046 624 1 2 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.336 0.665 18046 625 1 2 . 1 1 6 6 CYS CB C 6 29.300 29.300 28.595 0.705 18046 626 1 2 . 1 1 6 6 CYS H H 6 8.937 8.937 8.203 0.734 18046 627 1 2 . 1 1 7 7 SER N N 7 113.574 113.574 118.430 -4.856 18046 628 1 2 . 1 1 7 7 SER HA H 7 5.420 5.420 4.891 0.529 18046 629 1 2 . 1 1 7 7 SER C C 7 175.632 175.632 172.980 2.652 18046 630 1 2 . 1 1 7 7 SER CA C 7 55.400 55.400 56.675 -1.274 18046 631 1 2 . 1 1 7 7 SER CB C 7 65.900 65.900 66.031 -0.131 18046 632 1 2 . 1 1 7 7 SER H H 7 7.873 7.873 8.167 -0.294 18046 633 1 2 . 1 1 8 8 ASN N N 8 126.153 126.153 121.602 4.551 18046 634 1 2 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.117 0.523 18046 635 1 2 . 1 1 8 8 ASN C C 8 178.392 178.392 175.578 2.814 18046 636 1 2 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.743 -1.244 18046 637 1 2 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.007 -0.907 18046 638 1 2 . 1 1 8 8 ASN H H 8 10.299 10.299 8.855 1.444 18046 639 1 2 . 1 1 9 9 LYS N N 9 123.420 123.420 123.715 -0.295 18046 640 1 2 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.157 0.073 18046 641 1 2 . 1 1 9 9 LYS C C 9 177.891 177.891 177.353 0.538 18046 642 1 2 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.201 0.599 18046 643 1 2 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.926 -1.026 18046 644 1 2 . 1 1 9 9 LYS H H 9 9.064 9.064 8.485 0.579 18046 645 1 2 . 1 1 10 10 THR N N 10 110.292 110.292 108.247 2.045 18046 646 1 2 . 1 1 10 10 THR HA H 10 4.480 4.480 4.479 0.001 18046 647 1 2 . 1 1 10 10 THR C C 10 175.392 175.392 175.794 -0.402 18046 648 1 2 . 1 1 10 10 THR CA C 10 63.100 63.100 62.384 0.716 18046 649 1 2 . 1 1 10 10 THR CB C 10 70.100 70.100 70.047 0.052 18046 650 1 2 . 1 1 10 10 THR H H 10 8.525 8.525 7.925 0.600 18046 651 1 2 . 1 1 11 11 GLY N N 11 110.668 110.668 110.184 0.484 18046 652 1 2 . 1 1 11 11 GLY C C 11 172.867 172.867 173.666 -0.799 18046 653 1 2 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.106 -0.406 18046 654 1 2 . 1 1 11 11 GLY H H 11 8.266 8.266 8.113 0.153 18046 655 1 2 . 1 1 12 12 ARG N N 12 118.170 118.170 120.270 -2.100 18046 656 1 2 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.706 -0.046 18046 657 1 2 . 1 1 12 12 ARG C C 12 173.924 173.924 174.580 -0.656 18046 658 1 2 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.742 -0.842 18046 659 1 2 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.949 -0.149 18046 660 1 2 . 1 1 12 12 ARG H H 12 7.538 7.538 7.833 -0.295 18046 661 1 2 . 1 1 13 13 PHE N N 13 121.956 121.956 122.999 -1.043 18046 662 1 2 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.622 -0.088 18046 663 1 2 . 1 1 13 13 PHE C C 13 174.005 174.005 174.294 -0.289 18046 664 1 2 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.473 2.027 18046 665 1 2 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.945 -0.945 18046 666 1 2 . 1 1 13 13 PHE H H 13 8.926 8.926 8.621 0.305 18046 667 1 2 . 1 1 14 14 LEU N N 14 129.824 129.824 127.101 2.723 18046 668 1 2 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.228 0.082 18046 669 1 2 . 1 1 14 14 LEU C C 14 173.801 173.801 174.132 -0.331 18046 670 1 2 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.891 1.309 18046 671 1 2 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.024 1.576 18046 672 1 2 . 1 1 14 14 LEU H H 14 8.114 8.114 7.331 0.783 18046 673 1 2 . 1 1 15 15 ALA N N 15 125.201 125.201 125.435 -0.234 18046 674 1 2 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.380 1.150 18046 675 1 2 . 1 1 15 15 ALA C C 15 177.178 177.178 176.534 0.644 18046 676 1 2 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.345 -1.545 18046 677 1 2 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.212 0.588 18046 678 1 2 . 1 1 15 15 ALA H H 15 8.234 8.234 8.179 0.055 18046 679 1 2 . 1 1 16 16 THR N N 16 119.393 119.393 118.615 0.778 18046 680 1 2 . 1 1 16 16 THR HA H 16 4.654 4.654 4.535 0.119 18046 681 1 2 . 1 1 16 16 THR C C 16 173.434 173.434 172.492 0.942 18046 682 1 2 . 1 1 16 16 THR CA C 16 61.261 61.261 60.764 0.497 18046 683 1 2 . 1 1 16 16 THR CB C 16 71.500 71.500 71.452 0.048 18046 684 1 2 . 1 1 16 16 THR H H 16 9.149 9.149 8.042 1.107 18046 685 1 2 . 1 1 17 17 GLU N N 17 128.928 128.928 123.030 5.898 18046 686 1 2 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.496 -0.106 18046 687 1 2 . 1 1 17 17 GLU C C 17 175.799 175.799 174.959 0.840 18046 688 1 2 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.725 2.075 18046 689 1 2 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.716 -2.316 18046 690 1 2 . 1 1 17 17 GLU H H 17 9.269 9.269 8.527 0.742 18046 691 1 2 . 1 1 18 18 ILE N N 18 129.185 129.185 125.906 3.279 18046 692 1 2 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.064 0.326 18046 693 1 2 . 1 1 18 18 ILE C C 18 176.202 176.202 174.719 1.483 18046 694 1 2 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.543 1.157 18046 695 1 2 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.879 -1.779 18046 696 1 2 . 1 1 18 18 ILE H H 18 8.814 8.814 8.246 0.568 18046 697 1 2 . 1 1 19 19 VAL N N 19 127.068 127.068 125.749 1.319 18046 698 1 2 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.728 0.552 18046 699 1 2 . 1 1 19 19 VAL C C 19 175.632 175.632 176.340 -0.708 18046 700 1 2 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.860 -1.260 18046 701 1 2 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.125 0.375 18046 702 1 2 . 1 1 19 19 VAL H H 19 8.600 8.600 7.970 0.630 18046 703 1 2 . 1 1 20 20 ASP N N 20 122.793 122.793 123.604 -0.811 18046 704 1 2 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.133 0.157 18046 705 1 2 . 1 1 20 20 ASP C C 20 175.742 175.742 175.225 0.517 18046 706 1 2 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.371 -0.271 18046 707 1 2 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.857 -0.857 18046 708 1 2 . 1 1 20 20 ASP H H 20 9.037 9.037 8.295 0.742 18046 709 1 2 . 1 1 21 21 PHE N N 21 113.443 113.443 123.429 -9.986 18046 710 1 2 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.692 0.118 18046 711 1 2 . 1 1 21 21 PHE C C 21 175.062 175.062 175.330 -0.268 18046 712 1 2 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.282 0.918 18046 713 1 2 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.358 -0.459 18046 714 1 2 . 1 1 21 21 PHE H H 21 6.542 6.542 7.561 -1.019 18046 715 1 2 . 1 1 22 22 THR N N 22 112.200 112.200 112.342 -0.142 18046 716 1 2 . 1 1 22 22 THR HA H 22 4.900 4.900 4.841 0.059 18046 717 1 2 . 1 1 22 22 THR C C 22 175.307 175.307 175.888 -0.581 18046 718 1 2 . 1 1 22 22 THR CA C 22 60.400 60.400 60.319 0.081 18046 719 1 2 . 1 1 22 22 THR CB C 22 73.300 73.300 71.256 2.044 18046 720 1 2 . 1 1 22 22 THR H H 22 9.640 9.640 8.229 1.411 18046 721 1 2 . 1 1 23 23 GLN N N 23 122.406 122.406 119.044 3.362 18046 722 1 2 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.087 -0.407 18046 723 1 2 . 1 1 23 23 GLN C C 23 176.527 176.527 177.334 -0.807 18046 724 1 2 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.429 0.571 18046 725 1 2 . 1 1 23 23 GLN CB C 23 27.600 27.600 27.935 -0.335 18046 726 1 2 . 1 1 23 23 GLN H H 23 9.766 9.766 8.775 0.991 18046 727 1 2 . 1 1 24 24 ASP N N 24 114.153 114.153 120.369 -6.216 18046 728 1 2 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.458 -0.358 18046 729 1 2 . 1 1 24 24 ASP C C 24 176.528 176.528 177.295 -0.767 18046 730 1 2 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.817 -0.917 18046 731 1 2 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.349 0.411 18046 732 1 2 . 1 1 24 24 ASP H H 24 7.760 7.760 7.819 -0.059 18046 733 1 2 . 1 1 25 25 ASP N N 25 116.379 116.379 117.329 -0.950 18046 734 1 2 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.703 -0.163 18046 735 1 2 . 1 1 25 25 ASP C C 25 175.059 175.059 176.100 -1.041 18046 736 1 2 . 1 1 25 25 ASP CA C 25 56.200 56.200 54.962 1.238 18046 737 1 2 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.798 0.702 18046 738 1 2 . 1 1 25 25 ASP H H 25 7.655 7.655 7.949 -0.294 18046 739 1 2 . 1 1 26 26 LEU N N 26 118.095 118.095 122.931 -4.836 18046 740 1 2 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.145 -0.865 18046 741 1 2 . 1 1 26 26 LEU C C 26 174.177 174.177 176.363 -2.186 18046 742 1 2 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.179 -1.279 18046 743 1 2 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.758 -1.458 18046 744 1 2 . 1 1 26 26 LEU H H 26 7.309 7.309 7.186 0.123 18046 745 1 2 . 1 1 27 27 ASP N N 27 127.757 127.757 127.141 0.616 18046 746 1 2 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.589 0.211 18046 747 1 2 . 1 1 27 27 ASP C C 27 177.178 177.178 177.049 0.129 18046 748 1 2 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.222 -0.723 18046 749 1 2 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.569 1.931 18046 750 1 2 . 1 1 27 27 ASP H H 27 8.612 8.612 8.355 0.257 18046 751 1 2 . 1 1 28 28 GLU N N 28 124.674 124.674 119.086 5.588 18046 752 1 2 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.153 0.237 18046 753 1 2 . 1 1 28 28 GLU C C 28 175.019 175.019 176.366 -1.347 18046 754 1 2 . 1 1 28 28 GLU CA C 28 57.700 57.700 58.631 -0.931 18046 755 1 2 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.145 -0.545 18046 756 1 2 . 1 1 28 28 GLU H H 28 8.632 8.632 8.696 -0.064 18046 757 1 2 . 1 1 29 29 ASN N N 29 115.882 115.882 118.859 -2.977 18046 758 1 2 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.935 -0.305 18046 759 1 2 . 1 1 29 29 ASN C C 29 175.382 175.382 173.519 1.863 18046 760 1 2 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.797 0.003 18046 761 1 2 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.063 0.937 18046 762 1 2 . 1 1 29 29 ASN H H 29 9.360 9.360 8.330 1.030 18046 763 1 2 . 1 1 30 30 ASP N N 30 127.013 127.013 121.889 5.124 18046 764 1 2 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.876 0.674 18046 765 1 2 . 1 1 30 30 ASP C C 30 172.009 172.009 174.605 -2.596 18046 766 1 2 . 1 1 30 30 ASP CA C 30 54.200 54.200 52.959 1.241 18046 767 1 2 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.916 -0.116 18046 768 1 2 . 1 1 30 30 ASP H H 30 8.710 8.710 8.636 0.074 18046 769 1 2 . 1 1 31 31 VAL N N 31 112.784 112.784 120.347 -7.563 18046 770 1 2 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.314 1.086 18046 771 1 2 . 1 1 31 31 VAL C C 31 173.273 173.273 175.044 -1.771 18046 772 1 2 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.003 -2.003 18046 773 1 2 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.526 3.275 18046 774 1 2 . 1 1 31 31 VAL H H 31 7.364 7.364 8.425 -1.061 18046 775 1 2 . 1 1 32 32 TYR N N 32 120.917 120.917 126.454 -5.537 18046 776 1 2 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.465 0.205 18046 777 1 2 . 1 1 32 32 TYR C C 32 174.735 174.735 175.308 -0.573 18046 778 1 2 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.464 1.337 18046 779 1 2 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.992 1.108 18046 780 1 2 . 1 1 32 32 TYR H H 32 9.698 9.698 8.101 1.597 18046 781 1 2 . 1 1 33 33 LEU N N 33 119.790 119.790 120.181 -0.391 18046 782 1 2 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.635 1.075 18046 783 1 2 . 1 1 33 33 LEU C C 33 175.551 175.551 175.168 0.383 18046 784 1 2 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.732 -2.252 18046 785 1 2 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.779 -0.494 18046 786 1 2 . 1 1 33 33 LEU H H 33 9.111 9.111 8.731 0.380 18046 787 1 2 . 1 1 34 34 LEU N N 34 125.829 125.829 127.396 -1.567 18046 788 1 2 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.197 0.213 18046 789 1 2 . 1 1 34 34 LEU C C 34 174.819 174.819 174.774 0.045 18046 790 1 2 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.253 0.067 18046 791 1 2 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.161 -0.581 18046 792 1 2 . 1 1 34 34 LEU H H 34 9.847 9.847 8.195 1.652 18046 793 1 2 . 1 1 35 35 ASP N N 35 126.739 126.739 128.409 -1.670 18046 794 1 2 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.896 0.244 18046 795 1 2 . 1 1 35 35 ASP C C 35 176.690 176.690 175.433 1.257 18046 796 1 2 . 1 1 35 35 ASP CA C 35 53.600 53.600 54.432 -0.832 18046 797 1 2 . 1 1 35 35 ASP CB C 35 42.200 42.200 40.675 1.525 18046 798 1 2 . 1 1 35 35 ASP H H 35 9.740 9.740 8.593 1.147 18046 799 1 2 . 1 1 36 36 THR N N 36 118.603 118.603 113.661 4.942 18046 800 1 2 . 1 1 36 36 THR HA H 36 4.290 4.290 4.237 0.053 18046 801 1 2 . 1 1 36 36 THR C C 36 175.471 175.471 174.665 0.806 18046 802 1 2 . 1 1 36 36 THR CA C 36 60.800 60.800 59.543 1.257 18046 803 1 2 . 1 1 36 36 THR CB C 36 68.500 68.500 71.054 -2.554 18046 804 1 2 . 1 1 36 36 THR H H 36 8.596 8.596 7.478 1.118 18046 805 1 2 . 1 1 37 37 TRP N N 37 122.021 122.021 122.040 -0.019 18046 806 1 2 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.480 -0.430 18046 807 1 2 . 1 1 37 37 TRP C C 37 177.341 177.341 177.296 0.045 18046 808 1 2 . 1 1 37 37 TRP CA C 37 61.800 61.800 58.900 2.901 18046 809 1 2 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.607 -0.607 18046 810 1 2 . 1 1 37 37 TRP H H 37 9.090 9.090 8.191 0.899 18046 811 1 2 . 1 1 38 38 ASP N N 38 117.786 117.786 116.880 0.906 18046 812 1 2 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.398 -0.008 18046 813 1 2 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.208 -0.208 18046 814 1 2 . 1 1 38 38 ASP CB C 38 41.300 41.300 41.404 -0.104 18046 815 1 2 . 1 1 38 38 ASP H H 38 8.676 8.676 8.253 0.423 18046 816 1 2 . 1 1 39 39 GLN N N 39 110.693 110.693 114.411 -3.718 18046 817 1 2 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.493 -0.003 18046 818 1 2 . 1 1 39 39 GLN C C 39 173.398 173.398 174.548 -1.150 18046 819 1 2 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.438 -0.638 18046 820 1 2 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.586 0.614 18046 821 1 2 . 1 1 39 39 GLN H H 39 7.325 7.325 7.736 -0.411 18046 822 1 2 . 1 1 40 40 ILE N N 40 120.287 120.287 122.742 -2.455 18046 823 1 2 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.588 0.392 18046 824 1 2 . 1 1 40 40 ILE C C 40 175.143 175.143 176.083 -0.940 18046 825 1 2 . 1 1 40 40 ILE CA C 40 60.100 60.100 62.023 -1.923 18046 826 1 2 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.262 1.438 18046 827 1 2 . 1 1 40 40 ILE H H 40 8.663 8.663 8.644 0.019 18046 828 1 2 . 1 1 41 41 PHE N N 41 124.653 124.653 128.014 -3.361 18046 829 1 2 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.736 0.754 18046 830 1 2 . 1 1 41 41 PHE C C 41 174.167 174.167 175.382 -1.215 18046 831 1 2 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.843 -0.443 18046 832 1 2 . 1 1 41 41 PHE CB C 41 42.200 42.200 39.626 2.574 18046 833 1 2 . 1 1 41 41 PHE H H 41 9.555 9.555 9.278 0.277 18046 834 1 2 . 1 1 42 42 PHE N N 42 128.681 128.681 125.473 3.208 18046 835 1 2 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.896 0.684 18046 836 1 2 . 1 1 42 42 PHE C C 42 172.940 172.940 174.938 -1.998 18046 837 1 2 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.939 -1.239 18046 838 1 2 . 1 1 42 42 PHE CB C 42 41.000 41.000 38.836 2.164 18046 839 1 2 . 1 1 42 42 PHE H H 42 9.647 9.647 8.400 1.247 18046 840 1 2 . 1 1 43 43 TRP N N 43 128.634 128.634 126.120 2.514 18046 841 1 2 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.798 0.482 18046 842 1 2 . 1 1 43 43 TRP C C 43 175.877 175.877 174.720 1.157 18046 843 1 2 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.624 1.376 18046 844 1 2 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.715 2.486 18046 845 1 2 . 1 1 43 43 TRP H H 43 9.997 9.997 8.799 1.198 18046 846 1 2 . 1 1 44 44 ILE N N 44 126.166 126.166 126.066 0.100 18046 847 1 2 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.517 -0.367 18046 848 1 2 . 1 1 44 44 ILE C C 44 175.190 175.190 175.478 -0.288 18046 849 1 2 . 1 1 44 44 ILE CA C 44 60.500 60.500 60.344 0.156 18046 850 1 2 . 1 1 44 44 ILE CB C 44 39.300 39.300 39.561 -0.261 18046 851 1 2 . 1 1 44 44 ILE H H 44 8.359 8.359 7.860 0.499 18046 852 1 2 . 1 1 45 45 GLY N N 45 119.260 119.260 113.996 5.264 18046 853 1 2 . 1 1 45 45 GLY C C 45 176.163 176.163 174.475 1.688 18046 854 1 2 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.652 1.948 18046 855 1 2 . 1 1 45 45 GLY H H 45 7.603 7.603 8.296 -0.693 18046 856 1 2 . 1 1 46 46 LYS N N 46 124.868 124.868 119.370 5.498 18046 857 1 2 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.419 -0.349 18046 858 1 2 . 1 1 46 46 LYS C C 46 177.700 177.700 177.378 0.322 18046 859 1 2 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.458 1.742 18046 860 1 2 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.290 -0.890 18046 861 1 2 . 1 1 46 46 LYS H H 46 9.104 9.104 8.207 0.897 18046 862 1 2 . 1 1 47 47 GLY N N 47 106.230 106.230 107.433 -1.203 18046 863 1 2 . 1 1 47 47 GLY C C 47 175.326 175.326 174.056 1.270 18046 864 1 2 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.224 -1.024 18046 865 1 2 . 1 1 47 47 GLY H H 47 8.954 8.954 7.918 1.036 18046 866 1 2 . 1 1 48 48 ALA N N 48 125.925 125.925 123.091 2.834 18046 867 1 2 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.195 0.425 18046 868 1 2 . 1 1 48 48 ALA C C 48 177.829 177.829 177.526 0.303 18046 869 1 2 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.412 0.288 18046 870 1 2 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.861 1.039 18046 871 1 2 . 1 1 48 48 ALA H H 48 7.484 7.484 7.849 -0.365 18046 872 1 2 . 1 1 49 49 ASN N N 49 119.683 119.683 123.152 -3.469 18046 873 1 2 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.555 0.545 18046 874 1 2 . 1 1 49 49 ASN C C 49 175.874 175.874 176.940 -1.066 18046 875 1 2 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.921 -2.321 18046 876 1 2 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.362 1.638 18046 877 1 2 . 1 1 49 49 ASN H H 49 8.921 8.921 8.296 0.625 18046 878 1 2 . 1 1 50 50 GLU N N 50 118.057 118.057 120.750 -2.693 18046 879 1 2 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.109 -0.109 18046 880 1 2 . 1 1 50 50 GLU C C 50 178.722 178.722 178.206 0.516 18046 881 1 2 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.780 -0.180 18046 882 1 2 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.397 0.203 18046 883 1 2 . 1 1 50 50 GLU H H 50 8.828 8.828 8.993 -0.165 18046 884 1 2 . 1 1 51 51 SER N N 51 115.397 115.397 115.044 0.353 18046 885 1 2 . 1 1 51 51 SER HA H 51 4.350 4.350 4.239 0.111 18046 886 1 2 . 1 1 51 51 SER C C 51 177.932 177.932 176.354 1.578 18046 887 1 2 . 1 1 51 51 SER CA C 51 61.800 61.800 61.217 0.583 18046 888 1 2 . 1 1 51 51 SER CB C 51 62.700 62.700 62.776 -0.076 18046 889 1 2 . 1 1 51 51 SER H H 51 8.401 8.401 8.444 -0.043 18046 890 1 2 . 1 1 52 52 GLU N N 52 122.271 122.271 122.220 0.051 18046 891 1 2 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.086 0.014 18046 892 1 2 . 1 1 52 52 GLU C C 52 177.665 177.665 178.455 -0.790 18046 893 1 2 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.853 -0.653 18046 894 1 2 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.924 -0.523 18046 895 1 2 . 1 1 52 52 GLU H H 52 8.566 8.566 8.363 0.203 18046 896 1 2 . 1 1 53 53 LYS N N 53 119.319 119.319 118.410 0.909 18046 897 1 2 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.941 0.099 18046 898 1 2 . 1 1 53 53 LYS C C 53 178.727 178.727 178.461 0.266 18046 899 1 2 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.235 1.665 18046 900 1 2 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.202 0.398 18046 901 1 2 . 1 1 53 53 LYS H H 53 7.704 7.704 7.540 0.164 18046 902 1 2 . 1 1 54 54 GLU N N 54 119.268 119.268 118.824 0.444 18046 903 1 2 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.124 -0.064 18046 904 1 2 . 1 1 54 54 GLU C C 54 179.211 179.211 178.258 0.953 18046 905 1 2 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.042 0.458 18046 906 1 2 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.692 0.208 18046 907 1 2 . 1 1 54 54 GLU H H 54 8.173 8.173 7.270 0.903 18046 908 1 2 . 1 1 55 55 ALA N N 55 121.311 121.311 121.953 -0.642 18046 909 1 2 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.808 0.142 18046 910 1 2 . 1 1 55 55 ALA C C 55 180.920 180.920 179.341 1.579 18046 911 1 2 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.672 -0.172 18046 912 1 2 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.094 -1.294 18046 913 1 2 . 1 1 55 55 ALA H H 55 7.954 7.954 8.342 -0.388 18046 914 1 2 . 1 1 56 56 ALA N N 56 123.395 123.395 119.259 4.136 18046 915 1 2 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.153 -0.133 18046 916 1 2 . 1 1 56 56 ALA C C 56 178.383 178.383 178.939 -0.556 18046 917 1 2 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.597 0.803 18046 918 1 2 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.325 1.275 18046 919 1 2 . 1 1 56 56 ALA H H 56 8.393 8.393 8.045 0.348 18046 920 1 2 . 1 1 57 57 ALA N N 57 120.754 120.754 121.306 -0.552 18046 921 1 2 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.871 0.049 18046 922 1 2 . 1 1 57 57 ALA C C 57 180.433 180.433 179.516 0.917 18046 923 1 2 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.709 0.991 18046 924 1 2 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.485 -0.785 18046 925 1 2 . 1 1 57 57 ALA H H 57 7.690 7.690 7.321 0.369 18046 926 1 2 . 1 1 58 58 GLU N N 58 118.337 118.337 118.281 0.056 18046 927 1 2 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.059 0.041 18046 928 1 2 . 1 1 58 58 GLU C C 58 179.210 179.210 179.151 0.059 18046 929 1 2 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.433 -0.233 18046 930 1 2 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.587 -0.287 18046 931 1 2 . 1 1 58 58 GLU H H 58 7.423 7.423 7.867 -0.444 18046 932 1 2 . 1 1 59 59 THR N N 59 118.744 118.744 114.917 3.827 18046 933 1 2 . 1 1 59 59 THR HA H 59 3.860 3.860 4.057 -0.197 18046 934 1 2 . 1 1 59 59 THR C C 59 175.722 175.722 175.943 -0.221 18046 935 1 2 . 1 1 59 59 THR CA C 59 67.420 67.420 66.200 1.220 18046 936 1 2 . 1 1 59 59 THR CB C 59 68.590 68.590 68.704 -0.114 18046 937 1 2 . 1 1 59 59 THR H H 59 8.354 8.354 8.322 0.032 18046 938 1 2 . 1 1 60 60 ALA N N 60 122.991 122.991 122.802 0.189 18046 939 1 2 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.826 -0.096 18046 940 1 2 . 1 1 60 60 ALA C C 60 178.155 178.155 179.405 -1.250 18046 941 1 2 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.921 0.779 18046 942 1 2 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.062 -0.262 18046 943 1 2 . 1 1 60 60 ALA H H 60 8.294 8.294 7.398 0.896 18046 944 1 2 . 1 1 61 61 GLN N N 61 113.649 113.649 116.883 -3.234 18046 945 1 2 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.926 0.064 18046 946 1 2 . 1 1 61 61 GLN C C 61 178.640 178.640 178.166 0.474 18046 947 1 2 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.721 -0.801 18046 948 1 2 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.102 0.358 18046 949 1 2 . 1 1 61 61 GLN H H 61 7.215 7.215 8.129 -0.914 18046 950 1 2 . 1 1 62 62 GLU N N 62 120.684 120.684 118.520 2.164 18046 951 1 2 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.046 -0.006 18046 952 1 2 . 1 1 62 62 GLU C C 62 179.047 179.047 178.953 0.094 18046 953 1 2 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.300 -0.100 18046 954 1 2 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.162 0.138 18046 955 1 2 . 1 1 62 62 GLU H H 62 8.126 8.126 7.820 0.306 18046 956 1 2 . 1 1 63 63 TYR N N 63 122.118 122.118 120.884 1.234 18046 957 1 2 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.175 0.055 18046 958 1 2 . 1 1 63 63 TYR C C 63 178.643 178.643 177.497 1.146 18046 959 1 2 . 1 1 63 63 TYR CA C 63 60.100 60.100 61.059 -0.959 18046 960 1 2 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.527 -0.727 18046 961 1 2 . 1 1 63 63 TYR H H 63 8.796 8.796 7.868 0.928 18046 962 1 2 . 1 1 64 64 LEU N N 64 119.163 119.163 118.414 0.749 18046 963 1 2 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.949 -0.269 18046 964 1 2 . 1 1 64 64 LEU C C 64 178.475 178.475 179.571 -1.096 18046 965 1 2 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.213 -0.213 18046 966 1 2 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.807 1.693 18046 967 1 2 . 1 1 64 64 LEU H H 64 7.799 7.799 7.729 0.070 18046 968 1 2 . 1 1 65 65 ARG N N 65 116.868 116.868 115.267 1.601 18046 969 1 2 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.117 -0.047 18046 970 1 2 . 1 1 65 65 ARG C C 65 177.464 177.464 177.150 0.314 18046 971 1 2 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.066 0.534 18046 972 1 2 . 1 1 65 65 ARG CB C 65 30.800 30.800 30.121 0.679 18046 973 1 2 . 1 1 65 65 ARG H H 65 7.842 7.842 7.689 0.153 18046 974 1 2 . 1 1 66 66 SER N N 66 112.527 112.527 112.339 0.188 18046 975 1 2 . 1 1 66 66 SER HA H 66 4.360 4.360 4.278 0.082 18046 976 1 2 . 1 1 66 66 SER C C 66 174.087 174.087 174.850 -0.763 18046 977 1 2 . 1 1 66 66 SER CA C 66 59.440 59.440 59.305 0.135 18046 978 1 2 . 1 1 66 66 SER CB C 66 64.120 64.120 63.720 0.400 18046 979 1 2 . 1 1 66 66 SER H H 66 7.907 7.907 7.624 0.283 18046 980 1 2 . 1 1 67 67 HIS N N 67 123.090 123.090 121.910 1.180 18046 981 1 2 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.768 -0.108 18046 982 1 2 . 1 1 67 67 HIS CA C 67 55.400 55.400 53.048 2.352 18046 983 1 2 . 1 1 67 67 HIS CB C 67 29.600 29.600 30.666 -1.066 18046 984 1 2 . 1 1 67 67 HIS H H 67 7.515 7.515 7.371 0.144 18046 985 1 2 . 1 1 68 68 PRO C C 68 176.365 176.365 176.676 -0.311 18046 986 1 2 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.523 5.837 18046 987 1 2 . 1 1 69 69 GLY N N 69 124.202 124.202 105.910 18.292 18046 988 1 2 . 1 1 69 69 GLY C C 69 174.331 174.331 173.766 0.565 18046 989 1 2 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.529 1.171 18046 990 1 2 . 1 1 69 69 GLY H H 69 8.166 8.166 8.160 0.006 18046 991 1 2 . 1 1 70 70 SER N N 70 115.467 115.467 116.546 -1.079 18046 992 1 2 . 1 1 70 70 SER HA H 70 4.450 4.450 4.574 -0.124 18046 993 1 2 . 1 1 70 70 SER C C 70 174.329 174.329 175.470 -1.141 18046 994 1 2 . 1 1 70 70 SER CA C 70 58.640 58.640 58.913 -0.273 18046 995 1 2 . 1 1 70 70 SER CB C 70 63.040 63.040 64.271 -1.231 18046 996 1 2 . 1 1 70 70 SER H H 70 8.280 8.280 8.866 -0.586 18046 997 1 2 . 1 1 71 71 ARG N N 71 120.585 120.585 120.912 -0.327 18046 998 1 2 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.795 -0.565 18046 999 1 2 . 1 1 71 71 ARG C C 71 175.793 175.793 175.719 0.074 18046 1000 1 2 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.453 -0.353 18046 1001 1 2 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.486 0.914 18046 1002 1 2 . 1 1 71 71 ARG H H 71 8.341 8.341 8.416 -0.075 18046 1003 1 2 . 1 1 72 72 ASP N N 72 120.258 120.258 118.548 1.710 18046 1004 1 2 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.458 -0.018 18046 1005 1 2 . 1 1 72 72 ASP C C 72 178.038 178.038 176.904 1.134 18046 1006 1 2 . 1 1 72 72 ASP CA C 72 54.530 54.530 57.186 -2.656 18046 1007 1 2 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.588 0.182 18046 1008 1 2 . 1 1 72 72 ASP H H 72 8.471 8.471 8.473 -0.002 18046 1009 1 2 . 1 1 73 73 LEU N N 73 127.518 127.518 115.705 11.813 18046 1010 1 2 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.289 -0.199 18046 1011 1 2 . 1 1 73 73 LEU C C 73 177.417 177.417 177.337 0.080 18046 1012 1 2 . 1 1 73 73 LEU CA C 73 57.000 57.000 56.014 0.986 18046 1013 1 2 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.565 -1.565 18046 1014 1 2 . 1 1 73 73 LEU H H 73 8.826 8.826 7.805 1.021 18046 1015 1 2 . 1 1 74 74 ASP N N 74 117.787 117.787 117.747 0.040 18046 1016 1 2 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.469 0.271 18046 1017 1 2 . 1 1 74 74 ASP C C 74 175.765 175.765 176.721 -0.956 18046 1018 1 2 . 1 1 74 74 ASP CA C 74 53.900 53.900 56.190 -2.290 18046 1019 1 2 . 1 1 74 74 ASP CB C 74 40.470 40.470 41.000 -0.530 18046 1020 1 2 . 1 1 74 74 ASP H H 74 8.480 8.480 8.058 0.422 18046 1021 1 2 . 1 1 75 75 THR N N 75 119.682 119.682 117.443 2.239 18046 1022 1 2 . 1 1 75 75 THR HA H 75 4.210 4.210 4.537 -0.327 18046 1023 1 2 . 1 1 75 75 THR CA C 75 62.440 62.440 61.340 1.100 18046 1024 1 2 . 1 1 75 75 THR CB C 75 70.940 70.940 69.014 1.926 18046 1025 1 2 . 1 1 75 75 THR H H 75 7.303 7.303 7.641 -0.338 18046 1026 1 2 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.361 -0.121 18046 1027 1 2 . 1 1 76 76 PRO C C 76 174.823 174.823 175.926 -1.103 18046 1028 1 2 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.459 1.141 18046 1029 1 2 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.263 0.837 18046 1030 1 2 . 1 1 77 77 ILE N N 77 121.906 121.906 120.989 0.917 18046 1031 1 2 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.931 1.059 18046 1032 1 2 . 1 1 77 77 ILE C C 77 176.571 176.571 176.461 0.110 18046 1033 1 2 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.660 -1.160 18046 1034 1 2 . 1 1 77 77 ILE CB C 77 38.100 38.100 38.674 -0.574 18046 1035 1 2 . 1 1 77 77 ILE H H 77 8.052 8.052 7.931 0.121 18046 1036 1 2 . 1 1 78 78 ILE N N 78 130.054 130.054 128.153 1.901 18046 1037 1 2 . 1 1 78 78 ILE HA H 78 4.300 4.300 3.991 0.309 18046 1038 1 2 . 1 1 78 78 ILE C C 78 175.471 175.471 175.439 0.032 18046 1039 1 2 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.835 -1.035 18046 1040 1 2 . 1 1 78 78 ILE CB C 78 39.300 39.300 37.101 2.199 18046 1041 1 2 . 1 1 78 78 ILE H H 78 8.977 8.977 8.320 0.657 18046 1042 1 2 . 1 1 79 79 VAL N N 79 130.072 130.072 127.867 2.205 18046 1043 1 2 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.940 0.750 18046 1044 1 2 . 1 1 79 79 VAL C C 79 176.024 176.024 175.781 0.243 18046 1045 1 2 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.460 0.440 18046 1046 1 2 . 1 1 79 79 VAL CB C 79 31.700 31.700 32.156 -0.456 18046 1047 1 2 . 1 1 79 79 VAL H H 79 8.872 8.872 7.969 0.903 18046 1048 1 2 . 1 1 80 80 VAL N N 80 129.055 129.055 126.533 2.522 18046 1049 1 2 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.292 0.128 18046 1050 1 2 . 1 1 80 80 VAL C C 80 173.028 173.028 174.557 -1.529 18046 1051 1 2 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.687 -0.687 18046 1052 1 2 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.157 1.243 18046 1053 1 2 . 1 1 80 80 VAL H H 80 9.608 9.608 8.234 1.374 18046 1054 1 2 . 1 1 81 81 LYS N N 81 123.854 123.854 123.514 0.340 18046 1055 1 2 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.661 -0.491 18046 1056 1 2 . 1 1 81 81 LYS C C 81 175.225 175.225 175.868 -0.643 18046 1057 1 2 . 1 1 81 81 LYS CA C 81 55.100 55.100 55.287 -0.187 18046 1058 1 2 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.469 -0.269 18046 1059 1 2 . 1 1 81 81 LYS H H 81 8.441 8.441 8.417 0.024 18046 1060 1 2 . 1 1 82 82 GLN N N 82 121.237 121.237 120.637 0.600 18046 1061 1 2 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.086 -0.126 18046 1062 1 2 . 1 1 82 82 GLN C C 82 177.016 177.016 176.493 0.523 18046 1063 1 2 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.803 -0.303 18046 1064 1 2 . 1 1 82 82 GLN CB C 82 28.100 28.100 28.059 0.041 18046 1065 1 2 . 1 1 82 82 GLN H H 82 6.493 6.493 8.563 -2.070 18046 1066 1 2 . 1 1 83 83 GLY N N 83 118.629 118.629 113.484 5.145 18046 1067 1 2 . 1 1 83 83 GLY C C 83 174.491 174.491 172.830 1.661 18046 1068 1 2 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.399 1.001 18046 1069 1 2 . 1 1 83 83 GLY H H 83 10.072 10.072 8.424 1.648 18046 1070 1 2 . 1 1 84 84 PHE N N 84 120.834 120.834 120.047 0.787 18046 1071 1 2 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.621 0.289 18046 1072 1 2 . 1 1 84 84 PHE C C 84 177.056 177.056 174.317 2.739 18046 1073 1 2 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.188 -0.688 18046 1074 1 2 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.906 -2.206 18046 1075 1 2 . 1 1 84 84 PHE H H 84 8.431 8.431 7.238 1.193 18046 1076 1 2 . 1 1 85 85 GLU N N 85 125.174 125.174 125.331 -0.157 18046 1077 1 2 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.817 -0.707 18046 1078 1 2 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.498 4.383 18046 1079 1 2 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.171 -3.001 18046 1080 1 2 . 1 1 85 85 GLU H H 85 10.207 10.207 8.519 1.688 18046 1081 1 2 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.489 0.261 18046 1082 1 2 . 1 1 87 87 PRO C C 87 178.401 178.401 178.028 0.373 18046 1083 1 2 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.945 -0.445 18046 1084 1 2 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.947 -0.547 18046 1085 1 2 . 1 1 88 88 THR N N 88 107.088 107.088 112.288 -5.200 18046 1086 1 2 . 1 1 88 88 THR HA H 88 4.080 4.080 4.065 0.015 18046 1087 1 2 . 1 1 88 88 THR C C 88 174.325 174.325 175.713 -1.388 18046 1088 1 2 . 1 1 88 88 THR CA C 88 63.200 63.200 65.010 -1.810 18046 1089 1 2 . 1 1 88 88 THR CB C 88 68.300 68.300 68.168 0.132 18046 1090 1 2 . 1 1 88 88 THR H H 88 7.316 7.316 8.146 -0.830 18046 1091 1 2 . 1 1 89 89 PHE N N 89 119.031 119.031 122.206 -3.175 18046 1092 1 2 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.968 -0.048 18046 1093 1 2 . 1 1 89 89 PHE C C 89 175.661 175.661 177.302 -1.641 18046 1094 1 2 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.878 -0.878 18046 1095 1 2 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.817 2.243 18046 1096 1 2 . 1 1 89 89 PHE H H 89 7.437 7.437 7.890 -0.453 18046 1097 1 2 . 1 1 90 90 THR N N 90 107.216 107.216 116.143 -8.927 18046 1098 1 2 . 1 1 90 90 THR HA H 90 3.210 3.210 3.263 -0.053 18046 1099 1 2 . 1 1 90 90 THR C C 90 177.340 177.340 176.796 0.544 18046 1100 1 2 . 1 1 90 90 THR CA C 90 65.000 65.000 67.153 -2.153 18046 1101 1 2 . 1 1 90 90 THR CB C 90 68.200 68.200 67.780 0.420 18046 1102 1 2 . 1 1 90 90 THR H H 90 7.675 7.675 7.940 -0.265 18046 1103 1 2 . 1 1 91 91 GLY N N 91 106.674 106.674 109.103 -2.429 18046 1104 1 2 . 1 1 91 91 GLY C C 91 174.591 174.591 174.649 -0.058 18046 1105 1 2 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.703 0.597 18046 1106 1 2 . 1 1 91 91 GLY H H 91 7.865 7.865 7.402 0.463 18046 1107 1 2 . 1 1 92 92 TRP N N 92 117.951 117.951 118.862 -0.911 18046 1108 1 2 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.278 0.212 18046 1109 1 2 . 1 1 92 92 TRP C C 92 174.042 174.042 176.083 -2.041 18046 1110 1 2 . 1 1 92 92 TRP CA C 92 57.470 57.470 57.097 0.373 18046 1111 1 2 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.264 0.366 18046 1112 1 2 . 1 1 92 92 TRP H H 92 7.018 7.018 7.172 -0.154 18046 1113 1 2 . 1 1 93 93 PHE N N 93 118.863 118.863 115.433 3.430 18046 1114 1 2 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.221 0.389 18046 1115 1 2 . 1 1 93 93 PHE C C 93 175.872 175.872 176.746 -0.874 18046 1116 1 2 . 1 1 93 93 PHE CA C 93 56.900 56.900 57.215 -0.315 18046 1117 1 2 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.054 0.746 18046 1118 1 2 . 1 1 93 93 PHE H H 93 7.956 7.956 7.633 0.323 18046 1119 1 2 . 1 1 94 94 MET N N 94 121.781 121.781 119.151 2.630 18046 1120 1 2 . 1 1 94 94 MET HA H 94 4.200 4.200 4.179 0.021 18046 1121 1 2 . 1 1 94 94 MET C C 94 175.794 175.794 175.942 -0.148 18046 1122 1 2 . 1 1 94 94 MET CA C 94 57.900 57.900 56.762 1.138 18046 1123 1 2 . 1 1 94 94 MET CB C 94 32.300 32.300 32.496 -0.196 18046 1124 1 2 . 1 1 94 94 MET H H 94 8.825 8.825 8.590 0.235 18046 1125 1 2 . 1 1 95 95 ALA N N 95 120.648 120.648 122.246 -1.598 18046 1126 1 2 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.430 0.010 18046 1127 1 2 . 1 1 95 95 ALA C C 95 175.600 175.600 176.460 -0.860 18046 1128 1 2 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.924 0.876 18046 1129 1 2 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.996 1.804 18046 1130 1 2 . 1 1 95 95 ALA H H 95 8.037 8.037 7.559 0.478 18046 1131 1 2 . 1 1 96 96 TRP N N 96 121.009 121.009 123.585 -2.576 18046 1132 1 2 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.380 -0.170 18046 1133 1 2 . 1 1 96 96 TRP C C 96 174.409 174.409 176.031 -1.622 18046 1134 1 2 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.721 0.079 18046 1135 1 2 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.950 0.550 18046 1136 1 2 . 1 1 96 96 TRP H H 96 8.481 8.481 8.416 0.065 18046 1137 1 2 . 1 1 97 97 ASP N N 97 128.963 128.963 121.220 7.743 18046 1138 1 2 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.110 -0.020 18046 1139 1 2 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.785 -1.225 18046 1140 1 2 . 1 1 97 97 ASP CB C 97 42.530 42.530 42.751 -0.221 18046 1141 1 2 . 1 1 97 97 ASP H H 97 8.850 8.850 8.897 -0.047 18046 1142 1 2 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.399 0.111 18046 1143 1 2 . 1 1 98 98 PRO C C 98 177.169 177.169 177.311 -0.142 18046 1144 1 2 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.101 0.099 18046 1145 1 2 . 1 1 98 98 PRO CB C 98 32.570 32.570 31.979 0.591 18046 1146 1 2 . 1 1 99 99 LEU N N 99 118.381 118.381 118.961 -0.580 18046 1147 1 2 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.478 0.052 18046 1148 1 2 . 1 1 99 99 LEU C C 99 177.338 177.338 178.054 -0.716 18046 1149 1 2 . 1 1 99 99 LEU CA C 99 54.550 54.550 54.943 -0.393 18046 1150 1 2 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.447 -0.697 18046 1151 1 2 . 1 1 99 99 LEU H H 99 8.372 8.372 7.618 0.754 18046 1152 1 2 . 1 1 100 100 CYS N N 100 119.396 119.396 119.248 0.148 18046 1153 1 2 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.288 -0.678 18046 1154 1 2 . 1 1 100 100 CYS C C 100 174.820 174.820 175.981 -1.161 18046 1155 1 2 . 1 1 100 100 CYS CA C 100 61.500 61.500 62.851 -1.351 18046 1156 1 2 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.790 0.510 18046 1157 1 2 . 1 1 100 100 CYS H H 100 7.052 7.052 7.816 -0.764 18046 1158 1 2 . 1 1 101 101 TRP N N 101 115.737 115.737 121.039 -5.302 18046 1159 1 2 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.617 0.163 18046 1160 1 2 . 1 1 101 101 TRP C C 101 176.485 176.485 176.097 0.388 18046 1161 1 2 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.511 1.389 18046 1162 1 2 . 1 1 101 101 TRP CB C 101 28.100 28.100 28.176 -0.076 18046 1163 1 2 . 1 1 101 101 TRP H H 101 7.625 7.625 7.869 -0.244 18046 1164 1 2 . 1 1 102 102 SER N N 102 115.896 115.896 115.191 0.705 18046 1165 1 2 . 1 1 102 102 SER HA H 102 4.520 4.520 4.295 0.225 18046 1166 1 2 . 1 1 102 102 SER C C 102 174.333 174.333 175.637 -1.304 18046 1167 1 2 . 1 1 102 102 SER CA C 102 59.200 59.200 60.502 -1.302 18046 1168 1 2 . 1 1 102 102 SER CB C 102 64.100 64.100 63.029 1.071 18046 1169 1 2 . 1 1 102 102 SER H H 102 7.916 7.916 7.707 0.209 18046 1170 1 2 . 1 1 103 103 ASP N N 103 122.262 122.262 119.941 2.321 18046 1171 1 2 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.763 -0.103 18046 1172 1 2 . 1 1 103 103 ASP C C 103 176.129 176.129 177.982 -1.853 18046 1173 1 2 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.354 -0.654 18046 1174 1 2 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.388 -0.388 18046 1175 1 2 . 1 1 103 103 ASP H H 103 8.450 8.450 7.806 0.644 18046 1176 1 2 . 1 1 104 104 ARG N N 104 120.795 120.795 119.575 1.220 18046 1177 1 2 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.905 0.425 18046 1178 1 2 . 1 1 104 104 ARG C C 104 176.283 176.283 177.511 -1.228 18046 1179 1 2 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.310 -2.110 18046 1180 1 2 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.424 1.327 18046 1181 1 2 . 1 1 104 104 ARG H H 104 8.117 8.117 8.182 -0.065 18046 1182 1 2 . 1 1 105 105 LYS N N 105 122.131 122.131 116.787 5.344 18046 1183 1 2 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.353 -0.008 18046 1184 1 2 . 1 1 105 105 LYS C C 105 176.284 176.284 176.774 -0.490 18046 1185 1 2 . 1 1 105 105 LYS CA C 105 56.300 56.300 56.608 -0.308 18046 1186 1 2 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.724 0.376 18046 1187 1 2 . 1 1 105 105 LYS H H 105 8.294 8.294 8.064 0.230 18046 1188 1 2 . 1 1 106 106 SER N N 106 116.993 116.993 115.364 1.629 18046 1189 1 2 . 1 1 106 106 SER HA H 106 4.470 4.470 4.602 -0.132 18046 1190 1 2 . 1 1 106 106 SER CA C 106 58.300 58.300 57.489 0.811 18046 1191 1 2 . 1 1 106 106 SER CB C 106 64.200 64.200 64.585 -0.385 18046 1192 1 2 . 1 1 106 106 SER H H 106 8.235 8.235 7.665 0.570 18046 1193 1 3 . 1 1 2 2 ARG N N 2 117.203 117.203 119.268 -2.065 18046 1194 1 3 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.426 0.624 18046 1195 1 3 . 1 1 2 2 ARG C C 2 172.726 172.726 175.437 -2.711 18046 1196 1 3 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.431 0.769 18046 1197 1 3 . 1 1 2 2 ARG CB C 2 29.900 29.900 31.050 -1.150 18046 1198 1 3 . 1 1 2 2 ARG H H 2 8.108 8.108 7.894 0.214 18046 1199 1 3 . 1 1 3 3 LEU N N 3 125.261 125.261 122.450 2.811 18046 1200 1 3 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.726 0.494 18046 1201 1 3 . 1 1 3 3 LEU C C 3 174.166 174.166 175.955 -1.789 18046 1202 1 3 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.822 -0.822 18046 1203 1 3 . 1 1 3 3 LEU CB C 3 45.400 45.400 43.987 1.413 18046 1204 1 3 . 1 1 3 3 LEU H H 3 8.542 8.542 7.938 0.604 18046 1205 1 3 . 1 1 4 4 PHE N N 4 123.490 123.490 116.883 6.607 18046 1206 1 3 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.796 0.304 18046 1207 1 3 . 1 1 4 4 PHE C C 4 174.820 174.820 174.802 0.018 18046 1208 1 3 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.452 -1.162 18046 1209 1 3 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.739 0.611 18046 1210 1 3 . 1 1 4 4 PHE H H 4 9.591 9.591 8.694 0.897 18046 1211 1 3 . 1 1 5 5 GLU N N 5 125.718 125.718 124.397 1.321 18046 1212 1 3 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.885 -0.865 18046 1213 1 3 . 1 1 5 5 GLU C C 5 174.892 174.892 175.686 -0.794 18046 1214 1 3 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.369 -0.269 18046 1215 1 3 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.794 2.057 18046 1216 1 3 . 1 1 5 5 GLU H H 5 9.484 9.484 8.455 1.029 18046 1217 1 3 . 1 1 6 6 CYS N N 6 127.915 127.915 126.254 1.661 18046 1218 1 3 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.124 -0.104 18046 1219 1 3 . 1 1 6 6 CYS C C 6 172.378 172.378 173.784 -1.406 18046 1220 1 3 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.661 0.339 18046 1221 1 3 . 1 1 6 6 CYS CB C 6 29.300 29.300 29.595 -0.295 18046 1222 1 3 . 1 1 6 6 CYS H H 6 8.937 8.937 8.251 0.686 18046 1223 1 3 . 1 1 7 7 SER N N 7 113.574 113.574 117.861 -4.287 18046 1224 1 3 . 1 1 7 7 SER HA H 7 5.420 5.420 4.878 0.542 18046 1225 1 3 . 1 1 7 7 SER C C 7 175.632 175.632 172.937 2.695 18046 1226 1 3 . 1 1 7 7 SER CA C 7 55.400 55.400 56.628 -1.228 18046 1227 1 3 . 1 1 7 7 SER CB C 7 65.900 65.900 65.848 0.052 18046 1228 1 3 . 1 1 7 7 SER H H 7 7.873 7.873 8.176 -0.303 18046 1229 1 3 . 1 1 8 8 ASN N N 8 126.153 126.153 121.481 4.672 18046 1230 1 3 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.115 0.525 18046 1231 1 3 . 1 1 8 8 ASN C C 8 178.392 178.392 175.623 2.769 18046 1232 1 3 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.766 -1.266 18046 1233 1 3 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.027 -0.927 18046 1234 1 3 . 1 1 8 8 ASN H H 8 10.299 10.299 8.840 1.459 18046 1235 1 3 . 1 1 9 9 LYS N N 9 123.420 123.420 123.691 -0.271 18046 1236 1 3 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.159 0.071 18046 1237 1 3 . 1 1 9 9 LYS C C 9 177.891 177.891 177.361 0.530 18046 1238 1 3 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.224 0.576 18046 1239 1 3 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.919 -1.019 18046 1240 1 3 . 1 1 9 9 LYS H H 9 9.064 9.064 8.484 0.580 18046 1241 1 3 . 1 1 10 10 THR N N 10 110.292 110.292 108.237 2.055 18046 1242 1 3 . 1 1 10 10 THR HA H 10 4.480 4.480 4.479 0.001 18046 1243 1 3 . 1 1 10 10 THR C C 10 175.392 175.392 175.774 -0.382 18046 1244 1 3 . 1 1 10 10 THR CA C 10 63.100 63.100 62.383 0.717 18046 1245 1 3 . 1 1 10 10 THR CB C 10 70.100 70.100 70.050 0.050 18046 1246 1 3 . 1 1 10 10 THR H H 10 8.525 8.525 7.921 0.604 18046 1247 1 3 . 1 1 11 11 GLY N N 11 110.668 110.668 110.188 0.480 18046 1248 1 3 . 1 1 11 11 GLY C C 11 172.867 172.867 173.654 -0.787 18046 1249 1 3 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.112 -0.412 18046 1250 1 3 . 1 1 11 11 GLY H H 11 8.266 8.266 8.111 0.155 18046 1251 1 3 . 1 1 12 12 ARG N N 12 118.170 118.170 120.294 -2.124 18046 1252 1 3 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.706 -0.046 18046 1253 1 3 . 1 1 12 12 ARG C C 12 173.924 173.924 174.591 -0.667 18046 1254 1 3 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.740 -0.840 18046 1255 1 3 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.925 -0.125 18046 1256 1 3 . 1 1 12 12 ARG H H 12 7.538 7.538 7.834 -0.296 18046 1257 1 3 . 1 1 13 13 PHE N N 13 121.956 121.956 123.123 -1.167 18046 1258 1 3 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.615 -0.081 18046 1259 1 3 . 1 1 13 13 PHE C C 13 174.005 174.005 174.296 -0.291 18046 1260 1 3 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.522 1.978 18046 1261 1 3 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.933 -0.933 18046 1262 1 3 . 1 1 13 13 PHE H H 13 8.926 8.926 8.627 0.299 18046 1263 1 3 . 1 1 14 14 LEU N N 14 129.824 129.824 127.123 2.701 18046 1264 1 3 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.236 0.074 18046 1265 1 3 . 1 1 14 14 LEU C C 14 173.801 173.801 174.139 -0.338 18046 1266 1 3 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.894 1.306 18046 1267 1 3 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.067 1.533 18046 1268 1 3 . 1 1 14 14 LEU H H 14 8.114 8.114 7.328 0.786 18046 1269 1 3 . 1 1 15 15 ALA N N 15 125.201 125.201 125.662 -0.461 18046 1270 1 3 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.376 1.154 18046 1271 1 3 . 1 1 15 15 ALA C C 15 177.178 177.178 176.207 0.971 18046 1272 1 3 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.233 -1.433 18046 1273 1 3 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.522 0.278 18046 1274 1 3 . 1 1 15 15 ALA H H 15 8.234 8.234 8.194 0.040 18046 1275 1 3 . 1 1 16 16 THR N N 16 119.393 119.393 119.742 -0.349 18046 1276 1 3 . 1 1 16 16 THR HA H 16 4.654 4.654 4.516 0.138 18046 1277 1 3 . 1 1 16 16 THR C C 16 173.434 173.434 172.708 0.726 18046 1278 1 3 . 1 1 16 16 THR CA C 16 61.261 61.261 61.680 -0.419 18046 1279 1 3 . 1 1 16 16 THR CB C 16 71.500 71.500 71.872 -0.372 18046 1280 1 3 . 1 1 16 16 THR H H 16 9.149 9.149 8.032 1.117 18046 1281 1 3 . 1 1 17 17 GLU N N 17 128.928 128.928 125.658 3.270 18046 1282 1 3 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.381 0.009 18046 1283 1 3 . 1 1 17 17 GLU C C 17 175.799 175.799 174.977 0.822 18046 1284 1 3 . 1 1 17 17 GLU CA C 17 56.800 56.800 55.763 1.037 18046 1285 1 3 . 1 1 17 17 GLU CB C 17 29.400 29.400 30.827 -1.427 18046 1286 1 3 . 1 1 17 17 GLU H H 17 9.269 9.269 8.609 0.660 18046 1287 1 3 . 1 1 18 18 ILE N N 18 129.185 129.185 126.355 2.830 18046 1288 1 3 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.054 0.336 18046 1289 1 3 . 1 1 18 18 ILE C C 18 176.202 176.202 174.570 1.632 18046 1290 1 3 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.294 1.406 18046 1291 1 3 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.213 -1.113 18046 1292 1 3 . 1 1 18 18 ILE H H 18 8.814 8.814 8.185 0.629 18046 1293 1 3 . 1 1 19 19 VAL N N 19 127.068 127.068 125.386 1.682 18046 1294 1 3 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.627 0.652 18046 1295 1 3 . 1 1 19 19 VAL C C 19 175.632 175.632 176.021 -0.389 18046 1296 1 3 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.786 -1.187 18046 1297 1 3 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.174 0.326 18046 1298 1 3 . 1 1 19 19 VAL H H 19 8.600 8.600 8.109 0.491 18046 1299 1 3 . 1 1 20 20 ASP N N 20 122.793 122.793 123.163 -0.370 18046 1300 1 3 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.207 0.083 18046 1301 1 3 . 1 1 20 20 ASP C C 20 175.742 175.742 175.335 0.407 18046 1302 1 3 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.507 -0.407 18046 1303 1 3 . 1 1 20 20 ASP CB C 20 39.000 39.000 40.160 -1.160 18046 1304 1 3 . 1 1 20 20 ASP H H 20 9.037 9.037 8.358 0.679 18046 1305 1 3 . 1 1 21 21 PHE N N 21 113.443 113.443 123.490 -10.047 18046 1306 1 3 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.693 0.117 18046 1307 1 3 . 1 1 21 21 PHE C C 21 175.062 175.062 175.582 -0.520 18046 1308 1 3 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.290 0.910 18046 1309 1 3 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.418 -0.518 18046 1310 1 3 . 1 1 21 21 PHE H H 21 6.542 6.542 7.572 -1.030 18046 1311 1 3 . 1 1 22 22 THR N N 22 112.200 112.200 111.736 0.464 18046 1312 1 3 . 1 1 22 22 THR HA H 22 4.900 4.900 4.840 0.060 18046 1313 1 3 . 1 1 22 22 THR C C 22 175.307 175.307 175.600 -0.293 18046 1314 1 3 . 1 1 22 22 THR CA C 22 60.400 60.400 60.831 -0.431 18046 1315 1 3 . 1 1 22 22 THR CB C 22 73.300 73.300 70.862 2.438 18046 1316 1 3 . 1 1 22 22 THR H H 22 9.640 9.640 8.168 1.472 18046 1317 1 3 . 1 1 23 23 GLN N N 23 122.406 122.406 118.189 4.217 18046 1318 1 3 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.239 -0.559 18046 1319 1 3 . 1 1 23 23 GLN C C 23 176.527 176.527 177.282 -0.755 18046 1320 1 3 . 1 1 23 23 GLN CA C 23 59.000 59.000 57.819 1.181 18046 1321 1 3 . 1 1 23 23 GLN CB C 23 27.600 27.600 27.854 -0.254 18046 1322 1 3 . 1 1 23 23 GLN H H 23 9.766 9.766 8.721 1.045 18046 1323 1 3 . 1 1 24 24 ASP N N 24 114.153 114.153 120.707 -6.554 18046 1324 1 3 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.460 -0.360 18046 1325 1 3 . 1 1 24 24 ASP C C 24 176.528 176.528 177.389 -0.861 18046 1326 1 3 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.786 -0.886 18046 1327 1 3 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.456 0.304 18046 1328 1 3 . 1 1 24 24 ASP H H 24 7.760 7.760 7.829 -0.069 18046 1329 1 3 . 1 1 25 25 ASP N N 25 116.379 116.379 116.901 -0.522 18046 1330 1 3 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.706 -0.166 18046 1331 1 3 . 1 1 25 25 ASP C C 25 175.059 175.059 176.129 -1.070 18046 1332 1 3 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.272 0.928 18046 1333 1 3 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.715 0.785 18046 1334 1 3 . 1 1 25 25 ASP H H 25 7.655 7.655 8.416 -0.761 18046 1335 1 3 . 1 1 26 26 LEU N N 26 118.095 118.095 122.495 -4.400 18046 1336 1 3 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.080 -0.800 18046 1337 1 3 . 1 1 26 26 LEU C C 26 174.177 174.177 176.581 -2.404 18046 1338 1 3 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.530 -1.630 18046 1339 1 3 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.529 -1.229 18046 1340 1 3 . 1 1 26 26 LEU H H 26 7.309 7.309 7.171 0.138 18046 1341 1 3 . 1 1 27 27 ASP N N 27 127.757 127.757 126.303 1.454 18046 1342 1 3 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.575 0.225 18046 1343 1 3 . 1 1 27 27 ASP C C 27 177.178 177.178 177.080 0.098 18046 1344 1 3 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.238 -0.738 18046 1345 1 3 . 1 1 27 27 ASP CB C 27 43.500 43.500 42.040 1.460 18046 1346 1 3 . 1 1 27 27 ASP H H 27 8.612 8.612 8.178 0.434 18046 1347 1 3 . 1 1 28 28 GLU N N 28 124.674 124.674 119.973 4.701 18046 1348 1 3 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.205 0.185 18046 1349 1 3 . 1 1 28 28 GLU C C 28 175.019 175.019 176.562 -1.543 18046 1350 1 3 . 1 1 28 28 GLU CA C 28 57.700 57.700 58.843 -1.143 18046 1351 1 3 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.340 -0.740 18046 1352 1 3 . 1 1 28 28 GLU H H 28 8.632 8.632 8.724 -0.092 18046 1353 1 3 . 1 1 29 29 ASN N N 29 115.882 115.882 118.409 -2.527 18046 1354 1 3 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.982 -0.352 18046 1355 1 3 . 1 1 29 29 ASN C C 29 175.382 175.382 173.604 1.778 18046 1356 1 3 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.814 -0.014 18046 1357 1 3 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.485 0.515 18046 1358 1 3 . 1 1 29 29 ASN H H 29 9.360 9.360 8.185 1.175 18046 1359 1 3 . 1 1 30 30 ASP N N 30 127.013 127.013 121.570 5.443 18046 1360 1 3 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.714 0.836 18046 1361 1 3 . 1 1 30 30 ASP C C 30 172.009 172.009 174.419 -2.410 18046 1362 1 3 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.278 0.922 18046 1363 1 3 . 1 1 30 30 ASP CB C 30 44.800 44.800 45.086 -0.286 18046 1364 1 3 . 1 1 30 30 ASP H H 30 8.710 8.710 7.858 0.852 18046 1365 1 3 . 1 1 31 31 VAL N N 31 112.784 112.784 120.453 -7.669 18046 1366 1 3 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.137 1.263 18046 1367 1 3 . 1 1 31 31 VAL C C 31 173.273 173.273 175.012 -1.739 18046 1368 1 3 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.007 -2.007 18046 1369 1 3 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.289 3.511 18046 1370 1 3 . 1 1 31 31 VAL H H 31 7.364 7.364 8.370 -1.006 18046 1371 1 3 . 1 1 32 32 TYR N N 32 120.917 120.917 126.269 -5.352 18046 1372 1 3 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.295 0.375 18046 1373 1 3 . 1 1 32 32 TYR C C 32 174.735 174.735 175.222 -0.487 18046 1374 1 3 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.470 1.330 18046 1375 1 3 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.417 1.683 18046 1376 1 3 . 1 1 32 32 TYR H H 32 9.698 9.698 7.893 1.805 18046 1377 1 3 . 1 1 33 33 LEU N N 33 119.790 119.790 120.975 -1.185 18046 1378 1 3 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.671 1.039 18046 1379 1 3 . 1 1 33 33 LEU C C 33 175.551 175.551 175.599 -0.048 18046 1380 1 3 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.146 -1.666 18046 1381 1 3 . 1 1 33 33 LEU CB C 33 44.285 44.285 43.681 0.604 18046 1382 1 3 . 1 1 33 33 LEU H H 33 9.111 9.111 8.867 0.244 18046 1383 1 3 . 1 1 34 34 LEU N N 34 125.829 125.829 127.271 -1.442 18046 1384 1 3 . 1 1 34 34 LEU HA H 34 5.410 5.410 4.882 0.528 18046 1385 1 3 . 1 1 34 34 LEU C C 34 174.819 174.819 174.771 0.048 18046 1386 1 3 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.400 -0.080 18046 1387 1 3 . 1 1 34 34 LEU CB C 34 44.580 44.580 44.674 -0.094 18046 1388 1 3 . 1 1 34 34 LEU H H 34 9.847 9.847 8.324 1.523 18046 1389 1 3 . 1 1 35 35 ASP N N 35 126.739 126.739 128.423 -1.684 18046 1390 1 3 . 1 1 35 35 ASP HA H 35 5.140 5.140 5.010 0.130 18046 1391 1 3 . 1 1 35 35 ASP C C 35 176.690 176.690 175.801 0.889 18046 1392 1 3 . 1 1 35 35 ASP CA C 35 53.600 53.600 54.246 -0.646 18046 1393 1 3 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.011 1.189 18046 1394 1 3 . 1 1 35 35 ASP H H 35 9.740 9.740 8.634 1.106 18046 1395 1 3 . 1 1 36 36 THR N N 36 118.603 118.603 114.259 4.344 18046 1396 1 3 . 1 1 36 36 THR HA H 36 4.290 4.290 4.293 -0.003 18046 1397 1 3 . 1 1 36 36 THR C C 36 175.471 175.471 174.477 0.994 18046 1398 1 3 . 1 1 36 36 THR CA C 36 60.800 60.800 59.709 1.091 18046 1399 1 3 . 1 1 36 36 THR CB C 36 68.500 68.500 70.481 -1.981 18046 1400 1 3 . 1 1 36 36 THR H H 36 8.596 8.596 7.692 0.904 18046 1401 1 3 . 1 1 37 37 TRP N N 37 122.021 122.021 122.200 -0.179 18046 1402 1 3 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.363 -0.313 18046 1403 1 3 . 1 1 37 37 TRP C C 37 177.341 177.341 177.540 -0.199 18046 1404 1 3 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.014 2.786 18046 1405 1 3 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.394 -0.394 18046 1406 1 3 . 1 1 37 37 TRP H H 37 9.090 9.090 8.310 0.780 18046 1407 1 3 . 1 1 38 38 ASP N N 38 117.786 117.786 117.551 0.235 18046 1408 1 3 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.421 -0.031 18046 1409 1 3 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.070 -0.070 18046 1410 1 3 . 1 1 38 38 ASP CB C 38 41.300 41.300 41.529 -0.229 18046 1411 1 3 . 1 1 38 38 ASP H H 38 8.676 8.676 8.264 0.412 18046 1412 1 3 . 1 1 39 39 GLN N N 39 110.693 110.693 114.477 -3.784 18046 1413 1 3 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.449 0.041 18046 1414 1 3 . 1 1 39 39 GLN C C 39 173.398 173.398 174.198 -0.800 18046 1415 1 3 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.185 -0.385 18046 1416 1 3 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.601 0.599 18046 1417 1 3 . 1 1 39 39 GLN H H 39 7.325 7.325 7.823 -0.498 18046 1418 1 3 . 1 1 40 40 ILE N N 40 120.287 120.287 122.661 -2.374 18046 1419 1 3 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.523 0.457 18046 1420 1 3 . 1 1 40 40 ILE C C 40 175.143 175.143 176.133 -0.990 18046 1421 1 3 . 1 1 40 40 ILE CA C 40 60.100 60.100 62.009 -1.909 18046 1422 1 3 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.592 1.108 18046 1423 1 3 . 1 1 40 40 ILE H H 40 8.663 8.663 8.528 0.135 18046 1424 1 3 . 1 1 41 41 PHE N N 41 124.653 124.653 127.901 -3.248 18046 1425 1 3 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.866 0.624 18046 1426 1 3 . 1 1 41 41 PHE C C 41 174.167 174.167 175.164 -0.997 18046 1427 1 3 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.118 0.282 18046 1428 1 3 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.023 2.177 18046 1429 1 3 . 1 1 41 41 PHE H H 41 9.555 9.555 9.390 0.165 18046 1430 1 3 . 1 1 42 42 PHE N N 42 128.681 128.681 125.426 3.255 18046 1431 1 3 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.941 0.639 18046 1432 1 3 . 1 1 42 42 PHE C C 42 172.940 172.940 174.926 -1.986 18046 1433 1 3 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.917 -1.217 18046 1434 1 3 . 1 1 42 42 PHE CB C 42 41.000 41.000 38.959 2.041 18046 1435 1 3 . 1 1 42 42 PHE H H 42 9.647 9.647 8.402 1.245 18046 1436 1 3 . 1 1 43 43 TRP N N 43 128.634 128.634 126.589 2.045 18046 1437 1 3 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.838 0.442 18046 1438 1 3 . 1 1 43 43 TRP C C 43 175.877 175.877 174.607 1.270 18046 1439 1 3 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.653 1.347 18046 1440 1 3 . 1 1 43 43 TRP CB C 43 32.200 32.200 30.120 2.080 18046 1441 1 3 . 1 1 43 43 TRP H H 43 9.997 9.997 8.762 1.235 18046 1442 1 3 . 1 1 44 44 ILE N N 44 126.166 126.166 126.331 -0.165 18046 1443 1 3 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.576 -0.426 18046 1444 1 3 . 1 1 44 44 ILE C C 44 175.190 175.190 175.528 -0.338 18046 1445 1 3 . 1 1 44 44 ILE CA C 44 60.500 60.500 58.720 1.780 18046 1446 1 3 . 1 1 44 44 ILE CB C 44 39.300 39.300 39.086 0.214 18046 1447 1 3 . 1 1 44 44 ILE H H 44 8.359 8.359 7.874 0.485 18046 1448 1 3 . 1 1 45 45 GLY N N 45 119.260 119.260 113.957 5.303 18046 1449 1 3 . 1 1 45 45 GLY C C 45 176.163 176.163 174.460 1.703 18046 1450 1 3 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.612 1.988 18046 1451 1 3 . 1 1 45 45 GLY H H 45 7.603 7.603 8.229 -0.626 18046 1452 1 3 . 1 1 46 46 LYS N N 46 124.868 124.868 119.441 5.427 18046 1453 1 3 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.409 -0.339 18046 1454 1 3 . 1 1 46 46 LYS C C 46 177.700 177.700 177.449 0.251 18046 1455 1 3 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.587 1.613 18046 1456 1 3 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.320 -0.920 18046 1457 1 3 . 1 1 46 46 LYS H H 46 9.104 9.104 8.328 0.776 18046 1458 1 3 . 1 1 47 47 GLY N N 47 106.230 106.230 107.032 -0.802 18046 1459 1 3 . 1 1 47 47 GLY C C 47 175.326 175.326 174.134 1.192 18046 1460 1 3 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.146 -0.946 18046 1461 1 3 . 1 1 47 47 GLY H H 47 8.954 8.954 8.084 0.870 18046 1462 1 3 . 1 1 48 48 ALA N N 48 125.925 125.925 123.242 2.683 18046 1463 1 3 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.186 0.434 18046 1464 1 3 . 1 1 48 48 ALA C C 48 177.829 177.829 177.598 0.231 18046 1465 1 3 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.347 0.353 18046 1466 1 3 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.630 1.270 18046 1467 1 3 . 1 1 48 48 ALA H H 48 7.484 7.484 7.919 -0.435 18046 1468 1 3 . 1 1 49 49 ASN N N 49 119.683 119.683 123.353 -3.670 18046 1469 1 3 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.574 0.526 18046 1470 1 3 . 1 1 49 49 ASN C C 49 175.874 175.874 177.048 -1.174 18046 1471 1 3 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.565 -1.964 18046 1472 1 3 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.390 1.610 18046 1473 1 3 . 1 1 49 49 ASN H H 49 8.921 8.921 8.390 0.531 18046 1474 1 3 . 1 1 50 50 GLU N N 50 118.057 118.057 120.836 -2.779 18046 1475 1 3 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.121 -0.121 18046 1476 1 3 . 1 1 50 50 GLU C C 50 178.722 178.722 178.285 0.437 18046 1477 1 3 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.730 -0.130 18046 1478 1 3 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.627 -0.027 18046 1479 1 3 . 1 1 50 50 GLU H H 50 8.828 8.828 8.982 -0.154 18046 1480 1 3 . 1 1 51 51 SER N N 51 115.397 115.397 114.828 0.569 18046 1481 1 3 . 1 1 51 51 SER HA H 51 4.350 4.350 4.223 0.127 18046 1482 1 3 . 1 1 51 51 SER C C 51 177.932 177.932 176.371 1.561 18046 1483 1 3 . 1 1 51 51 SER CA C 51 61.800 61.800 61.410 0.390 18046 1484 1 3 . 1 1 51 51 SER CB C 51 62.700 62.700 62.893 -0.193 18046 1485 1 3 . 1 1 51 51 SER H H 51 8.401 8.401 8.410 -0.009 18046 1486 1 3 . 1 1 52 52 GLU N N 52 122.271 122.271 122.128 0.143 18046 1487 1 3 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.097 0.003 18046 1488 1 3 . 1 1 52 52 GLU C C 52 177.665 177.665 178.496 -0.831 18046 1489 1 3 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.840 -0.640 18046 1490 1 3 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.923 -0.523 18046 1491 1 3 . 1 1 52 52 GLU H H 52 8.566 8.566 8.374 0.192 18046 1492 1 3 . 1 1 53 53 LYS N N 53 119.319 119.319 118.346 0.973 18046 1493 1 3 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.954 0.086 18046 1494 1 3 . 1 1 53 53 LYS C C 53 178.727 178.727 178.425 0.302 18046 1495 1 3 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.178 1.722 18046 1496 1 3 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.189 0.411 18046 1497 1 3 . 1 1 53 53 LYS H H 53 7.704 7.704 7.536 0.168 18046 1498 1 3 . 1 1 54 54 GLU N N 54 119.268 119.268 118.839 0.429 18046 1499 1 3 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.133 -0.073 18046 1500 1 3 . 1 1 54 54 GLU C C 54 179.211 179.211 178.332 0.879 18046 1501 1 3 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.004 0.496 18046 1502 1 3 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.742 0.158 18046 1503 1 3 . 1 1 54 54 GLU H H 54 8.173 8.173 7.328 0.845 18046 1504 1 3 . 1 1 55 55 ALA N N 55 121.311 121.311 121.934 -0.623 18046 1505 1 3 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.831 0.119 18046 1506 1 3 . 1 1 55 55 ALA C C 55 180.920 180.920 179.372 1.548 18046 1507 1 3 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.704 -0.204 18046 1508 1 3 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.175 -1.375 18046 1509 1 3 . 1 1 55 55 ALA H H 55 7.954 7.954 8.342 -0.388 18046 1510 1 3 . 1 1 56 56 ALA N N 56 123.395 123.395 119.500 3.895 18046 1511 1 3 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.152 -0.132 18046 1512 1 3 . 1 1 56 56 ALA C C 56 178.383 178.383 178.979 -0.596 18046 1513 1 3 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.582 0.818 18046 1514 1 3 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.300 1.300 18046 1515 1 3 . 1 1 56 56 ALA H H 56 8.393 8.393 8.134 0.259 18046 1516 1 3 . 1 1 57 57 ALA N N 57 120.754 120.754 120.918 -0.164 18046 1517 1 3 . 1 1 57 57 ALA HA H 57 3.920 3.920 4.070 -0.150 18046 1518 1 3 . 1 1 57 57 ALA C C 57 180.433 180.433 179.984 0.449 18046 1519 1 3 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.845 0.855 18046 1520 1 3 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.387 -0.687 18046 1521 1 3 . 1 1 57 57 ALA H H 57 7.690 7.690 7.391 0.299 18046 1522 1 3 . 1 1 58 58 GLU N N 58 118.337 118.337 118.528 -0.191 18046 1523 1 3 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.126 -0.026 18046 1524 1 3 . 1 1 58 58 GLU C C 58 179.210 179.210 179.082 0.128 18046 1525 1 3 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.272 -0.072 18046 1526 1 3 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.794 -0.495 18046 1527 1 3 . 1 1 58 58 GLU H H 58 7.423 7.423 7.822 -0.399 18046 1528 1 3 . 1 1 59 59 THR N N 59 118.744 118.744 115.587 3.157 18046 1529 1 3 . 1 1 59 59 THR HA H 59 3.860 3.860 4.012 -0.152 18046 1530 1 3 . 1 1 59 59 THR C C 59 175.722 175.722 176.001 -0.279 18046 1531 1 3 . 1 1 59 59 THR CA C 59 67.420 67.420 65.895 1.525 18046 1532 1 3 . 1 1 59 59 THR CB C 59 68.590 68.590 68.345 0.245 18046 1533 1 3 . 1 1 59 59 THR H H 59 8.354 8.354 8.425 -0.071 18046 1534 1 3 . 1 1 60 60 ALA N N 60 122.991 122.991 122.919 0.072 18046 1535 1 3 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.685 0.045 18046 1536 1 3 . 1 1 60 60 ALA C C 60 178.155 178.155 179.186 -1.031 18046 1537 1 3 . 1 1 60 60 ALA CA C 60 55.700 55.700 55.008 0.692 18046 1538 1 3 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.074 -0.274 18046 1539 1 3 . 1 1 60 60 ALA H H 60 8.294 8.294 7.396 0.898 18046 1540 1 3 . 1 1 61 61 GLN N N 61 113.649 113.649 117.375 -3.726 18046 1541 1 3 . 1 1 61 61 GLN HA H 61 3.990 3.990 4.017 -0.027 18046 1542 1 3 . 1 1 61 61 GLN C C 61 178.640 178.640 178.392 0.248 18046 1543 1 3 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.483 -0.563 18046 1544 1 3 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.025 0.435 18046 1545 1 3 . 1 1 61 61 GLN H H 61 7.215 7.215 8.055 -0.840 18046 1546 1 3 . 1 1 62 62 GLU N N 62 120.684 120.684 118.150 2.534 18046 1547 1 3 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.037 0.003 18046 1548 1 3 . 1 1 62 62 GLU C C 62 179.047 179.047 178.305 0.742 18046 1549 1 3 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.246 -0.046 18046 1550 1 3 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.211 0.089 18046 1551 1 3 . 1 1 62 62 GLU H H 62 8.126 8.126 7.780 0.346 18046 1552 1 3 . 1 1 63 63 TYR N N 63 122.118 122.118 119.542 2.576 18046 1553 1 3 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.241 -0.011 18046 1554 1 3 . 1 1 63 63 TYR C C 63 178.643 178.643 177.729 0.914 18046 1555 1 3 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.755 -0.655 18046 1556 1 3 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.940 -1.140 18046 1557 1 3 . 1 1 63 63 TYR H H 63 8.796 8.796 7.668 1.128 18046 1558 1 3 . 1 1 64 64 LEU N N 64 119.163 119.163 120.271 -1.108 18046 1559 1 3 . 1 1 64 64 LEU HA H 64 3.680 3.680 4.032 -0.352 18046 1560 1 3 . 1 1 64 64 LEU C C 64 178.475 178.475 179.433 -0.958 18046 1561 1 3 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.009 -0.009 18046 1562 1 3 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.630 1.870 18046 1563 1 3 . 1 1 64 64 LEU H H 64 7.799 7.799 7.806 -0.007 18046 1564 1 3 . 1 1 65 65 ARG N N 65 116.868 116.868 116.245 0.623 18046 1565 1 3 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.009 0.061 18046 1566 1 3 . 1 1 65 65 ARG C C 65 177.464 177.464 177.396 0.068 18046 1567 1 3 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.302 0.298 18046 1568 1 3 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.686 1.114 18046 1569 1 3 . 1 1 65 65 ARG H H 65 7.842 7.842 7.582 0.260 18046 1570 1 3 . 1 1 66 66 SER N N 66 112.527 112.527 112.598 -0.071 18046 1571 1 3 . 1 1 66 66 SER HA H 66 4.360 4.360 4.215 0.145 18046 1572 1 3 . 1 1 66 66 SER C C 66 174.087 174.087 175.000 -0.913 18046 1573 1 3 . 1 1 66 66 SER CA C 66 59.440 59.440 59.460 -0.020 18046 1574 1 3 . 1 1 66 66 SER CB C 66 64.120 64.120 64.029 0.091 18046 1575 1 3 . 1 1 66 66 SER H H 66 7.907 7.907 7.740 0.167 18046 1576 1 3 . 1 1 67 67 HIS N N 67 123.090 123.090 122.821 0.269 18046 1577 1 3 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.513 0.147 18046 1578 1 3 . 1 1 67 67 HIS CA C 67 55.400 55.400 55.130 0.270 18046 1579 1 3 . 1 1 67 67 HIS CB C 67 29.600 29.600 30.192 -0.592 18046 1580 1 3 . 1 1 67 67 HIS H H 67 7.515 7.515 7.571 -0.056 18046 1581 1 3 . 1 1 68 68 PRO C C 68 176.365 176.365 176.812 -0.447 18046 1582 1 3 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.322 6.038 18046 1583 1 3 . 1 1 69 69 GLY N N 69 124.202 124.202 106.923 17.279 18046 1584 1 3 . 1 1 69 69 GLY C C 69 174.331 174.331 174.100 0.231 18046 1585 1 3 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.617 1.083 18046 1586 1 3 . 1 1 69 69 GLY H H 69 8.166 8.166 8.366 -0.200 18046 1587 1 3 . 1 1 70 70 SER N N 70 115.467 115.467 116.725 -1.258 18046 1588 1 3 . 1 1 70 70 SER HA H 70 4.450 4.450 4.508 -0.058 18046 1589 1 3 . 1 1 70 70 SER C C 70 174.329 174.329 175.906 -1.577 18046 1590 1 3 . 1 1 70 70 SER CA C 70 58.640 58.640 59.217 -0.577 18046 1591 1 3 . 1 1 70 70 SER CB C 70 63.040 63.040 63.866 -0.826 18046 1592 1 3 . 1 1 70 70 SER H H 70 8.280 8.280 8.601 -0.321 18046 1593 1 3 . 1 1 71 71 ARG N N 71 120.585 120.585 121.165 -0.580 18046 1594 1 3 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.630 -0.400 18046 1595 1 3 . 1 1 71 71 ARG C C 71 175.793 175.793 176.718 -0.925 18046 1596 1 3 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.598 -0.498 18046 1597 1 3 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.291 1.109 18046 1598 1 3 . 1 1 71 71 ARG H H 71 8.341 8.341 8.347 -0.006 18046 1599 1 3 . 1 1 72 72 ASP N N 72 120.258 120.258 120.253 0.005 18046 1600 1 3 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.450 -0.010 18046 1601 1 3 . 1 1 72 72 ASP C C 72 178.038 178.038 177.650 0.388 18046 1602 1 3 . 1 1 72 72 ASP CA C 72 54.530 54.530 57.258 -2.728 18046 1603 1 3 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.441 0.329 18046 1604 1 3 . 1 1 72 72 ASP H H 72 8.471 8.471 8.626 -0.155 18046 1605 1 3 . 1 1 73 73 LEU N N 73 127.518 127.518 117.682 9.836 18046 1606 1 3 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.112 -0.022 18046 1607 1 3 . 1 1 73 73 LEU C C 73 177.417 177.417 177.886 -0.469 18046 1608 1 3 . 1 1 73 73 LEU CA C 73 57.000 57.000 57.052 -0.052 18046 1609 1 3 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.069 -1.069 18046 1610 1 3 . 1 1 73 73 LEU H H 73 8.826 8.826 7.948 0.878 18046 1611 1 3 . 1 1 74 74 ASP N N 74 117.787 117.787 116.298 1.489 18046 1612 1 3 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.473 0.267 18046 1613 1 3 . 1 1 74 74 ASP C C 74 175.765 175.765 176.601 -0.836 18046 1614 1 3 . 1 1 74 74 ASP CA C 74 53.900 53.900 55.989 -2.089 18046 1615 1 3 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.785 -0.314 18046 1616 1 3 . 1 1 74 74 ASP H H 74 8.480 8.480 7.893 0.587 18046 1617 1 3 . 1 1 75 75 THR N N 75 119.682 119.682 117.390 2.292 18046 1618 1 3 . 1 1 75 75 THR HA H 75 4.210 4.210 4.240 -0.030 18046 1619 1 3 . 1 1 75 75 THR CA C 75 62.440 62.440 61.753 0.687 18046 1620 1 3 . 1 1 75 75 THR CB C 75 70.940 70.940 68.986 1.954 18046 1621 1 3 . 1 1 75 75 THR H H 75 7.303 7.303 7.425 -0.122 18046 1622 1 3 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.381 -0.141 18046 1623 1 3 . 1 1 76 76 PRO C C 76 174.823 174.823 175.767 -0.944 18046 1624 1 3 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.538 1.062 18046 1625 1 3 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.289 0.811 18046 1626 1 3 . 1 1 77 77 ILE N N 77 121.906 121.906 119.471 2.435 18046 1627 1 3 . 1 1 77 77 ILE HA H 77 4.990 4.990 4.002 0.988 18046 1628 1 3 . 1 1 77 77 ILE C C 77 176.571 176.571 176.379 0.192 18046 1629 1 3 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.301 -0.801 18046 1630 1 3 . 1 1 77 77 ILE CB C 77 38.100 38.100 39.904 -1.804 18046 1631 1 3 . 1 1 77 77 ILE H H 77 8.052 8.052 7.893 0.159 18046 1632 1 3 . 1 1 78 78 ILE N N 78 130.054 130.054 127.653 2.401 18046 1633 1 3 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.036 0.264 18046 1634 1 3 . 1 1 78 78 ILE C C 78 175.471 175.471 175.279 0.192 18046 1635 1 3 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.871 -1.071 18046 1636 1 3 . 1 1 78 78 ILE CB C 78 39.300 39.300 37.064 2.236 18046 1637 1 3 . 1 1 78 78 ILE H H 78 8.977 8.977 8.400 0.577 18046 1638 1 3 . 1 1 79 79 VAL N N 79 130.072 130.072 127.662 2.410 18046 1639 1 3 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.992 0.698 18046 1640 1 3 . 1 1 79 79 VAL C C 79 176.024 176.024 175.900 0.124 18046 1641 1 3 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.356 0.544 18046 1642 1 3 . 1 1 79 79 VAL CB C 79 31.700 31.700 31.919 -0.219 18046 1643 1 3 . 1 1 79 79 VAL H H 79 8.872 8.872 8.041 0.831 18046 1644 1 3 . 1 1 80 80 VAL N N 80 129.055 129.055 126.412 2.643 18046 1645 1 3 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.288 0.132 18046 1646 1 3 . 1 1 80 80 VAL C C 80 173.028 173.028 174.585 -1.557 18046 1647 1 3 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.729 -0.729 18046 1648 1 3 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.054 1.346 18046 1649 1 3 . 1 1 80 80 VAL H H 80 9.608 9.608 8.238 1.370 18046 1650 1 3 . 1 1 81 81 LYS N N 81 123.854 123.854 123.452 0.402 18046 1651 1 3 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.730 -0.560 18046 1652 1 3 . 1 1 81 81 LYS C C 81 175.225 175.225 175.981 -0.756 18046 1653 1 3 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.779 0.320 18046 1654 1 3 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.836 -0.636 18046 1655 1 3 . 1 1 81 81 LYS H H 81 8.441 8.441 8.333 0.108 18046 1656 1 3 . 1 1 82 82 GLN N N 82 121.237 121.237 120.757 0.480 18046 1657 1 3 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.105 -0.145 18046 1658 1 3 . 1 1 82 82 GLN C C 82 177.016 177.016 176.543 0.473 18046 1659 1 3 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.756 -0.256 18046 1660 1 3 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.835 0.265 18046 1661 1 3 . 1 1 82 82 GLN H H 82 6.493 6.493 8.626 -2.133 18046 1662 1 3 . 1 1 83 83 GLY N N 83 118.629 118.629 113.916 4.713 18046 1663 1 3 . 1 1 83 83 GLY C C 83 174.491 174.491 172.957 1.534 18046 1664 1 3 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.354 1.046 18046 1665 1 3 . 1 1 83 83 GLY H H 83 10.072 10.072 8.426 1.646 18046 1666 1 3 . 1 1 84 84 PHE N N 84 120.834 120.834 120.093 0.741 18046 1667 1 3 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.629 0.281 18046 1668 1 3 . 1 1 84 84 PHE C C 84 177.056 177.056 174.351 2.705 18046 1669 1 3 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.240 -0.740 18046 1670 1 3 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.870 -2.170 18046 1671 1 3 . 1 1 84 84 PHE H H 84 8.431 8.431 7.276 1.155 18046 1672 1 3 . 1 1 85 85 GLU N N 85 125.174 125.174 125.306 -0.132 18046 1673 1 3 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.773 -0.663 18046 1674 1 3 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.627 4.253 18046 1675 1 3 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.050 -2.881 18046 1676 1 3 . 1 1 85 85 GLU H H 85 10.207 10.207 8.516 1.691 18046 1677 1 3 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.443 0.307 18046 1678 1 3 . 1 1 87 87 PRO C C 87 178.401 178.401 178.201 0.200 18046 1679 1 3 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.538 -0.038 18046 1680 1 3 . 1 1 87 87 PRO CB C 87 31.400 31.400 32.102 -0.702 18046 1681 1 3 . 1 1 88 88 THR N N 88 107.088 107.088 112.278 -5.190 18046 1682 1 3 . 1 1 88 88 THR HA H 88 4.080 4.080 4.023 0.057 18046 1683 1 3 . 1 1 88 88 THR C C 88 174.325 174.325 175.690 -1.365 18046 1684 1 3 . 1 1 88 88 THR CA C 88 63.200 63.200 64.912 -1.712 18046 1685 1 3 . 1 1 88 88 THR CB C 88 68.300 68.300 68.165 0.135 18046 1686 1 3 . 1 1 88 88 THR H H 88 7.316 7.316 8.119 -0.803 18046 1687 1 3 . 1 1 89 89 PHE N N 89 119.031 119.031 122.324 -3.293 18046 1688 1 3 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.974 -0.054 18046 1689 1 3 . 1 1 89 89 PHE C C 89 175.661 175.661 177.347 -1.686 18046 1690 1 3 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.943 -0.943 18046 1691 1 3 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.899 2.161 18046 1692 1 3 . 1 1 89 89 PHE H H 89 7.437 7.437 7.920 -0.483 18046 1693 1 3 . 1 1 90 90 THR N N 90 107.216 107.216 116.407 -9.191 18046 1694 1 3 . 1 1 90 90 THR HA H 90 3.210 3.210 3.313 -0.103 18046 1695 1 3 . 1 1 90 90 THR C C 90 177.340 177.340 176.682 0.658 18046 1696 1 3 . 1 1 90 90 THR CA C 90 65.000 65.000 67.458 -2.458 18046 1697 1 3 . 1 1 90 90 THR CB C 90 68.200 68.200 67.819 0.381 18046 1698 1 3 . 1 1 90 90 THR H H 90 7.675 7.675 7.964 -0.289 18046 1699 1 3 . 1 1 91 91 GLY N N 91 106.674 106.674 109.108 -2.434 18046 1700 1 3 . 1 1 91 91 GLY C C 91 174.591 174.591 174.763 -0.172 18046 1701 1 3 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.723 0.577 18046 1702 1 3 . 1 1 91 91 GLY H H 91 7.865 7.865 7.391 0.474 18046 1703 1 3 . 1 1 92 92 TRP N N 92 117.951 117.951 119.002 -1.051 18046 1704 1 3 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.314 0.176 18046 1705 1 3 . 1 1 92 92 TRP C C 92 174.042 174.042 175.793 -1.751 18046 1706 1 3 . 1 1 92 92 TRP CA C 92 57.470 57.470 57.030 0.440 18046 1707 1 3 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.161 0.469 18046 1708 1 3 . 1 1 92 92 TRP H H 92 7.018 7.018 7.241 -0.223 18046 1709 1 3 . 1 1 93 93 PHE N N 93 118.863 118.863 116.600 2.263 18046 1710 1 3 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.401 0.209 18046 1711 1 3 . 1 1 93 93 PHE C C 93 175.872 175.872 176.714 -0.842 18046 1712 1 3 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.631 0.269 18046 1713 1 3 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.475 0.325 18046 1714 1 3 . 1 1 93 93 PHE H H 93 7.956 7.956 7.811 0.145 18046 1715 1 3 . 1 1 94 94 MET N N 94 121.781 121.781 118.821 2.960 18046 1716 1 3 . 1 1 94 94 MET HA H 94 4.200 4.200 4.272 -0.072 18046 1717 1 3 . 1 1 94 94 MET C C 94 175.794 175.794 176.423 -0.629 18046 1718 1 3 . 1 1 94 94 MET CA C 94 57.900 57.900 55.619 2.281 18046 1719 1 3 . 1 1 94 94 MET CB C 94 32.300 32.300 31.975 0.325 18046 1720 1 3 . 1 1 94 94 MET H H 94 8.825 8.825 8.567 0.258 18046 1721 1 3 . 1 1 95 95 ALA N N 95 120.648 120.648 122.528 -1.880 18046 1722 1 3 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.394 0.046 18046 1723 1 3 . 1 1 95 95 ALA C C 95 175.600 175.600 176.645 -1.045 18046 1724 1 3 . 1 1 95 95 ALA CA C 95 51.800 51.800 51.103 0.696 18046 1725 1 3 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.692 2.108 18046 1726 1 3 . 1 1 95 95 ALA H H 95 8.037 8.037 7.626 0.411 18046 1727 1 3 . 1 1 96 96 TRP N N 96 121.009 121.009 123.750 -2.741 18046 1728 1 3 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.389 -0.179 18046 1729 1 3 . 1 1 96 96 TRP C C 96 174.409 174.409 176.094 -1.685 18046 1730 1 3 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.686 0.114 18046 1731 1 3 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.963 0.537 18046 1732 1 3 . 1 1 96 96 TRP H H 96 8.481 8.481 8.404 0.077 18046 1733 1 3 . 1 1 97 97 ASP N N 97 128.963 128.963 121.197 7.766 18046 1734 1 3 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.130 -0.040 18046 1735 1 3 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.906 -1.346 18046 1736 1 3 . 1 1 97 97 ASP CB C 97 42.530 42.530 42.849 -0.319 18046 1737 1 3 . 1 1 97 97 ASP H H 97 8.850 8.850 8.894 -0.044 18046 1738 1 3 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.456 0.054 18046 1739 1 3 . 1 1 98 98 PRO C C 98 177.169 177.169 177.141 0.028 18046 1740 1 3 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.147 0.053 18046 1741 1 3 . 1 1 98 98 PRO CB C 98 32.570 32.570 31.963 0.607 18046 1742 1 3 . 1 1 99 99 LEU N N 99 118.381 118.381 119.174 -0.793 18046 1743 1 3 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.513 0.017 18046 1744 1 3 . 1 1 99 99 LEU C C 99 177.338 177.338 177.951 -0.613 18046 1745 1 3 . 1 1 99 99 LEU CA C 99 54.550 54.550 54.782 -0.232 18046 1746 1 3 . 1 1 99 99 LEU CB C 99 40.750 40.750 40.505 0.244 18046 1747 1 3 . 1 1 99 99 LEU H H 99 8.372 8.372 7.745 0.627 18046 1748 1 3 . 1 1 100 100 CYS N N 100 119.396 119.396 119.016 0.380 18046 1749 1 3 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.254 -0.644 18046 1750 1 3 . 1 1 100 100 CYS C C 100 174.820 174.820 175.879 -1.059 18046 1751 1 3 . 1 1 100 100 CYS CA C 100 61.500 61.500 62.623 -1.123 18046 1752 1 3 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.886 0.414 18046 1753 1 3 . 1 1 100 100 CYS H H 100 7.052 7.052 7.964 -0.912 18046 1754 1 3 . 1 1 101 101 TRP N N 101 115.737 115.737 121.205 -5.468 18046 1755 1 3 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.616 0.164 18046 1756 1 3 . 1 1 101 101 TRP C C 101 176.485 176.485 176.068 0.417 18046 1757 1 3 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.230 1.670 18046 1758 1 3 . 1 1 101 101 TRP CB C 101 28.100 28.100 29.198 -1.098 18046 1759 1 3 . 1 1 101 101 TRP H H 101 7.625 7.625 7.987 -0.362 18046 1760 1 3 . 1 1 102 102 SER N N 102 115.896 115.896 115.566 0.330 18046 1761 1 3 . 1 1 102 102 SER HA H 102 4.520 4.520 4.257 0.263 18046 1762 1 3 . 1 1 102 102 SER C C 102 174.333 174.333 175.161 -0.828 18046 1763 1 3 . 1 1 102 102 SER CA C 102 59.200 59.200 60.870 -1.670 18046 1764 1 3 . 1 1 102 102 SER CB C 102 64.100 64.100 63.022 1.079 18046 1765 1 3 . 1 1 102 102 SER H H 102 7.916 7.916 7.822 0.094 18046 1766 1 3 . 1 1 103 103 ASP N N 103 122.262 122.262 120.310 1.952 18046 1767 1 3 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.721 -0.061 18046 1768 1 3 . 1 1 103 103 ASP C C 103 176.129 176.129 177.758 -1.629 18046 1769 1 3 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.531 -0.831 18046 1770 1 3 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.802 -0.802 18046 1771 1 3 . 1 1 103 103 ASP H H 103 8.450 8.450 7.851 0.599 18046 1772 1 3 . 1 1 104 104 ARG N N 104 120.795 120.795 119.383 1.412 18046 1773 1 3 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.987 0.343 18046 1774 1 3 . 1 1 104 104 ARG C C 104 176.283 176.283 177.988 -1.705 18046 1775 1 3 . 1 1 104 104 ARG CA C 104 56.200 56.200 57.958 -1.758 18046 1776 1 3 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.565 1.185 18046 1777 1 3 . 1 1 104 104 ARG H H 104 8.117 8.117 8.133 -0.016 18046 1778 1 3 . 1 1 105 105 LYS N N 105 122.131 122.131 117.734 4.397 18046 1779 1 3 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.230 0.115 18046 1780 1 3 . 1 1 105 105 LYS C C 105 176.284 176.284 176.608 -0.324 18046 1781 1 3 . 1 1 105 105 LYS CA C 105 56.300 56.300 57.429 -1.129 18046 1782 1 3 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.805 0.295 18046 1783 1 3 . 1 1 105 105 LYS H H 105 8.294 8.294 7.672 0.622 18046 1784 1 3 . 1 1 106 106 SER N N 106 116.993 116.993 113.335 3.658 18046 1785 1 3 . 1 1 106 106 SER HA H 106 4.470 4.470 4.763 -0.293 18046 1786 1 3 . 1 1 106 106 SER CA C 106 58.300 58.300 56.763 1.537 18046 1787 1 3 . 1 1 106 106 SER CB C 106 64.200 64.200 64.436 -0.236 18046 1788 1 3 . 1 1 106 106 SER H H 106 8.235 8.235 7.724 0.511 18046 1789 1 4 . 1 1 2 2 ARG N N 2 117.203 117.203 120.030 -2.827 18046 1790 1 4 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.443 0.607 18046 1791 1 4 . 1 1 2 2 ARG C C 2 172.726 172.726 174.750 -2.024 18046 1792 1 4 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.538 0.662 18046 1793 1 4 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.454 -2.554 18046 1794 1 4 . 1 1 2 2 ARG H H 2 8.108 8.108 8.116 -0.008 18046 1795 1 4 . 1 1 3 3 LEU N N 3 125.261 125.261 120.468 4.793 18046 1796 1 4 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.938 0.282 18046 1797 1 4 . 1 1 3 3 LEU C C 3 174.166 174.166 175.724 -1.558 18046 1798 1 4 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.497 -0.497 18046 1799 1 4 . 1 1 3 3 LEU CB C 3 45.400 45.400 44.584 0.816 18046 1800 1 4 . 1 1 3 3 LEU H H 3 8.542 8.542 8.124 0.418 18046 1801 1 4 . 1 1 4 4 PHE N N 4 123.490 123.490 116.324 7.166 18046 1802 1 4 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.764 0.336 18046 1803 1 4 . 1 1 4 4 PHE C C 4 174.820 174.820 174.634 0.186 18046 1804 1 4 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.419 -1.129 18046 1805 1 4 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.719 0.630 18046 1806 1 4 . 1 1 4 4 PHE H H 4 9.591 9.591 8.666 0.925 18046 1807 1 4 . 1 1 5 5 GLU N N 5 125.718 125.718 124.740 0.978 18046 1808 1 4 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.919 -0.899 18046 1809 1 4 . 1 1 5 5 GLU C C 5 174.892 174.892 176.104 -1.212 18046 1810 1 4 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.257 -0.157 18046 1811 1 4 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.520 2.330 18046 1812 1 4 . 1 1 5 5 GLU H H 5 9.484 9.484 8.318 1.166 18046 1813 1 4 . 1 1 6 6 CYS N N 6 127.915 127.915 126.347 1.568 18046 1814 1 4 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.079 -0.059 18046 1815 1 4 . 1 1 6 6 CYS C C 6 172.378 172.378 173.773 -1.395 18046 1816 1 4 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.691 0.309 18046 1817 1 4 . 1 1 6 6 CYS CB C 6 29.300 29.300 29.552 -0.252 18046 1818 1 4 . 1 1 6 6 CYS H H 6 8.937 8.937 8.281 0.656 18046 1819 1 4 . 1 1 7 7 SER N N 7 113.574 113.574 117.748 -4.174 18046 1820 1 4 . 1 1 7 7 SER HA H 7 5.420 5.420 4.888 0.532 18046 1821 1 4 . 1 1 7 7 SER C C 7 175.632 175.632 172.983 2.649 18046 1822 1 4 . 1 1 7 7 SER CA C 7 55.400 55.400 56.550 -1.150 18046 1823 1 4 . 1 1 7 7 SER CB C 7 65.900 65.900 65.666 0.234 18046 1824 1 4 . 1 1 7 7 SER H H 7 7.873 7.873 8.171 -0.298 18046 1825 1 4 . 1 1 8 8 ASN N N 8 126.153 126.153 121.933 4.220 18046 1826 1 4 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.113 0.527 18046 1827 1 4 . 1 1 8 8 ASN C C 8 178.392 178.392 175.775 2.617 18046 1828 1 4 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.672 -1.172 18046 1829 1 4 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.014 -0.915 18046 1830 1 4 . 1 1 8 8 ASN H H 8 10.299 10.299 9.044 1.255 18046 1831 1 4 . 1 1 9 9 LYS N N 9 123.420 123.420 123.475 -0.055 18046 1832 1 4 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.169 0.061 18046 1833 1 4 . 1 1 9 9 LYS C C 9 177.891 177.891 177.271 0.620 18046 1834 1 4 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.119 0.681 18046 1835 1 4 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.850 -0.950 18046 1836 1 4 . 1 1 9 9 LYS H H 9 9.064 9.064 8.485 0.579 18046 1837 1 4 . 1 1 10 10 THR N N 10 110.292 110.292 108.546 1.746 18046 1838 1 4 . 1 1 10 10 THR HA H 10 4.480 4.480 4.474 0.006 18046 1839 1 4 . 1 1 10 10 THR C C 10 175.392 175.392 175.851 -0.459 18046 1840 1 4 . 1 1 10 10 THR CA C 10 63.100 63.100 62.383 0.717 18046 1841 1 4 . 1 1 10 10 THR CB C 10 70.100 70.100 70.001 0.099 18046 1842 1 4 . 1 1 10 10 THR H H 10 8.525 8.525 7.898 0.627 18046 1843 1 4 . 1 1 11 11 GLY N N 11 110.668 110.668 110.173 0.495 18046 1844 1 4 . 1 1 11 11 GLY C C 11 172.867 172.867 173.658 -0.791 18046 1845 1 4 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.109 -0.409 18046 1846 1 4 . 1 1 11 11 GLY H H 11 8.266 8.266 8.111 0.155 18046 1847 1 4 . 1 1 12 12 ARG N N 12 118.170 118.170 120.258 -2.088 18046 1848 1 4 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.706 -0.046 18046 1849 1 4 . 1 1 12 12 ARG C C 12 173.924 173.924 174.584 -0.660 18046 1850 1 4 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.731 -0.831 18046 1851 1 4 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.958 -0.158 18046 1852 1 4 . 1 1 12 12 ARG H H 12 7.538 7.538 7.830 -0.292 18046 1853 1 4 . 1 1 13 13 PHE N N 13 121.956 121.956 123.226 -1.270 18046 1854 1 4 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.454 0.080 18046 1855 1 4 . 1 1 13 13 PHE C C 13 174.005 174.005 173.969 0.036 18046 1856 1 4 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.945 1.555 18046 1857 1 4 . 1 1 13 13 PHE CB C 13 39.000 39.000 40.244 -1.244 18046 1858 1 4 . 1 1 13 13 PHE H H 13 8.926 8.926 8.648 0.278 18046 1859 1 4 . 1 1 14 14 LEU N N 14 129.824 129.824 127.090 2.734 18046 1860 1 4 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.231 0.079 18046 1861 1 4 . 1 1 14 14 LEU C C 14 173.801 173.801 174.129 -0.328 18046 1862 1 4 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.889 1.311 18046 1863 1 4 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.073 1.527 18046 1864 1 4 . 1 1 14 14 LEU H H 14 8.114 8.114 7.315 0.799 18046 1865 1 4 . 1 1 15 15 ALA N N 15 125.201 125.201 125.379 -0.178 18046 1866 1 4 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.384 1.146 18046 1867 1 4 . 1 1 15 15 ALA C C 15 177.178 177.178 176.518 0.660 18046 1868 1 4 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.358 -1.558 18046 1869 1 4 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.270 0.530 18046 1870 1 4 . 1 1 15 15 ALA H H 15 8.234 8.234 8.173 0.061 18046 1871 1 4 . 1 1 16 16 THR N N 16 119.393 119.393 118.580 0.813 18046 1872 1 4 . 1 1 16 16 THR HA H 16 4.654 4.654 4.493 0.161 18046 1873 1 4 . 1 1 16 16 THR C C 16 173.434 173.434 172.622 0.812 18046 1874 1 4 . 1 1 16 16 THR CA C 16 61.261 61.261 60.907 0.354 18046 1875 1 4 . 1 1 16 16 THR CB C 16 71.500 71.500 71.598 -0.098 18046 1876 1 4 . 1 1 16 16 THR H H 16 9.149 9.149 7.964 1.185 18046 1877 1 4 . 1 1 17 17 GLU N N 17 128.928 128.928 122.961 5.967 18046 1878 1 4 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.417 -0.027 18046 1879 1 4 . 1 1 17 17 GLU C C 17 175.799 175.799 174.944 0.855 18046 1880 1 4 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.602 2.198 18046 1881 1 4 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.666 -2.267 18046 1882 1 4 . 1 1 17 17 GLU H H 17 9.269 9.269 8.503 0.766 18046 1883 1 4 . 1 1 18 18 ILE N N 18 129.185 129.185 125.966 3.219 18046 1884 1 4 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.042 0.348 18046 1885 1 4 . 1 1 18 18 ILE C C 18 176.202 176.202 174.619 1.583 18046 1886 1 4 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.476 1.224 18046 1887 1 4 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.775 -1.675 18046 1888 1 4 . 1 1 18 18 ILE H H 18 8.814 8.814 8.242 0.572 18046 1889 1 4 . 1 1 19 19 VAL N N 19 127.068 127.068 125.191 1.877 18046 1890 1 4 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.704 0.576 18046 1891 1 4 . 1 1 19 19 VAL C C 19 175.632 175.632 176.344 -0.712 18046 1892 1 4 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.720 -1.120 18046 1893 1 4 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.033 0.467 18046 1894 1 4 . 1 1 19 19 VAL H H 19 8.600 8.600 8.055 0.545 18046 1895 1 4 . 1 1 20 20 ASP N N 20 122.793 122.793 123.297 -0.504 18046 1896 1 4 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.129 0.161 18046 1897 1 4 . 1 1 20 20 ASP C C 20 175.742 175.742 175.205 0.537 18046 1898 1 4 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.471 -0.371 18046 1899 1 4 . 1 1 20 20 ASP CB C 20 39.000 39.000 40.045 -1.046 18046 1900 1 4 . 1 1 20 20 ASP H H 20 9.037 9.037 8.414 0.623 18046 1901 1 4 . 1 1 21 21 PHE N N 21 113.443 113.443 123.453 -10.010 18046 1902 1 4 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.705 0.105 18046 1903 1 4 . 1 1 21 21 PHE C C 21 175.062 175.062 175.388 -0.326 18046 1904 1 4 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.314 0.886 18046 1905 1 4 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.197 -0.297 18046 1906 1 4 . 1 1 21 21 PHE H H 21 6.542 6.542 7.622 -1.080 18046 1907 1 4 . 1 1 22 22 THR N N 22 112.200 112.200 112.503 -0.303 18046 1908 1 4 . 1 1 22 22 THR HA H 22 4.900 4.900 4.866 0.034 18046 1909 1 4 . 1 1 22 22 THR C C 22 175.307 175.307 175.673 -0.366 18046 1910 1 4 . 1 1 22 22 THR CA C 22 60.400 60.400 60.559 -0.159 18046 1911 1 4 . 1 1 22 22 THR CB C 22 73.300 73.300 71.093 2.207 18046 1912 1 4 . 1 1 22 22 THR H H 22 9.640 9.640 8.212 1.428 18046 1913 1 4 . 1 1 23 23 GLN N N 23 122.406 122.406 118.719 3.687 18046 1914 1 4 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.112 -0.432 18046 1915 1 4 . 1 1 23 23 GLN C C 23 176.527 176.527 177.310 -0.783 18046 1916 1 4 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.292 0.708 18046 1917 1 4 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.433 -0.833 18046 1918 1 4 . 1 1 23 23 GLN H H 23 9.766 9.766 8.702 1.064 18046 1919 1 4 . 1 1 24 24 ASP N N 24 114.153 114.153 120.360 -6.207 18046 1920 1 4 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.466 -0.366 18046 1921 1 4 . 1 1 24 24 ASP C C 24 176.528 176.528 177.451 -0.923 18046 1922 1 4 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.635 -0.735 18046 1923 1 4 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.556 0.203 18046 1924 1 4 . 1 1 24 24 ASP H H 24 7.760 7.760 7.806 -0.046 18046 1925 1 4 . 1 1 25 25 ASP N N 25 116.379 116.379 116.776 -0.397 18046 1926 1 4 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.705 -0.165 18046 1927 1 4 . 1 1 25 25 ASP C C 25 175.059 175.059 176.190 -1.131 18046 1928 1 4 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.229 0.971 18046 1929 1 4 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.559 0.942 18046 1930 1 4 . 1 1 25 25 ASP H H 25 7.655 7.655 8.013 -0.358 18046 1931 1 4 . 1 1 26 26 LEU N N 26 118.095 118.095 122.477 -4.382 18046 1932 1 4 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.170 -0.890 18046 1933 1 4 . 1 1 26 26 LEU C C 26 174.177 174.177 176.460 -2.283 18046 1934 1 4 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.391 -1.491 18046 1935 1 4 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.745 -1.445 18046 1936 1 4 . 1 1 26 26 LEU H H 26 7.309 7.309 7.218 0.091 18046 1937 1 4 . 1 1 27 27 ASP N N 27 127.757 127.757 126.541 1.216 18046 1938 1 4 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.596 0.204 18046 1939 1 4 . 1 1 27 27 ASP C C 27 177.178 177.178 176.954 0.224 18046 1940 1 4 . 1 1 27 27 ASP CA C 27 54.500 54.500 54.807 -0.307 18046 1941 1 4 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.630 1.870 18046 1942 1 4 . 1 1 27 27 ASP H H 27 8.612 8.612 8.315 0.297 18046 1943 1 4 . 1 1 28 28 GLU N N 28 124.674 124.674 119.740 4.934 18046 1944 1 4 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.194 0.196 18046 1945 1 4 . 1 1 28 28 GLU C C 28 175.019 175.019 176.636 -1.617 18046 1946 1 4 . 1 1 28 28 GLU CA C 28 57.700 57.700 58.804 -1.104 18046 1947 1 4 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.374 -0.774 18046 1948 1 4 . 1 1 28 28 GLU H H 28 8.632 8.632 8.706 -0.074 18046 1949 1 4 . 1 1 29 29 ASN N N 29 115.882 115.882 118.301 -2.419 18046 1950 1 4 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.918 -0.288 18046 1951 1 4 . 1 1 29 29 ASN C C 29 175.382 175.382 173.476 1.906 18046 1952 1 4 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.872 -0.072 18046 1953 1 4 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.021 0.979 18046 1954 1 4 . 1 1 29 29 ASN H H 29 9.360 9.360 8.253 1.107 18046 1955 1 4 . 1 1 30 30 ASP N N 30 127.013 127.013 121.985 5.028 18046 1956 1 4 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.797 0.753 18046 1957 1 4 . 1 1 30 30 ASP C C 30 172.009 172.009 174.568 -2.559 18046 1958 1 4 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.452 0.748 18046 1959 1 4 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.888 -0.088 18046 1960 1 4 . 1 1 30 30 ASP H H 30 8.710 8.710 8.615 0.095 18046 1961 1 4 . 1 1 31 31 VAL N N 31 112.784 112.784 120.394 -7.610 18046 1962 1 4 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.328 1.072 18046 1963 1 4 . 1 1 31 31 VAL C C 31 173.273 173.273 175.056 -1.783 18046 1964 1 4 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.124 -2.124 18046 1965 1 4 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.485 3.315 18046 1966 1 4 . 1 1 31 31 VAL H H 31 7.364 7.364 8.401 -1.037 18046 1967 1 4 . 1 1 32 32 TYR N N 32 120.917 120.917 126.307 -5.390 18046 1968 1 4 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.441 0.229 18046 1969 1 4 . 1 1 32 32 TYR C C 32 174.735 174.735 175.348 -0.613 18046 1970 1 4 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.399 1.401 18046 1971 1 4 . 1 1 32 32 TYR CB C 32 43.100 43.100 42.040 1.060 18046 1972 1 4 . 1 1 32 32 TYR H H 32 9.698 9.698 8.155 1.543 18046 1973 1 4 . 1 1 33 33 LEU N N 33 119.790 119.790 119.722 0.068 18046 1974 1 4 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.629 1.081 18046 1975 1 4 . 1 1 33 33 LEU C C 33 175.551 175.551 175.187 0.364 18046 1976 1 4 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.546 -2.066 18046 1977 1 4 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.119 0.166 18046 1978 1 4 . 1 1 33 33 LEU H H 33 9.111 9.111 8.719 0.392 18046 1979 1 4 . 1 1 34 34 LEU N N 34 125.829 125.829 126.595 -0.766 18046 1980 1 4 . 1 1 34 34 LEU HA H 34 5.410 5.410 4.963 0.447 18046 1981 1 4 . 1 1 34 34 LEU C C 34 174.819 174.819 174.740 0.079 18046 1982 1 4 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.387 -0.067 18046 1983 1 4 . 1 1 34 34 LEU CB C 34 44.580 44.580 44.879 -0.299 18046 1984 1 4 . 1 1 34 34 LEU H H 34 9.847 9.847 8.235 1.612 18046 1985 1 4 . 1 1 35 35 ASP N N 35 126.739 126.739 128.094 -1.355 18046 1986 1 4 . 1 1 35 35 ASP HA H 35 5.140 5.140 5.018 0.122 18046 1987 1 4 . 1 1 35 35 ASP C C 35 176.690 176.690 175.750 0.940 18046 1988 1 4 . 1 1 35 35 ASP CA C 35 53.600 53.600 53.741 -0.141 18046 1989 1 4 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.252 0.948 18046 1990 1 4 . 1 1 35 35 ASP H H 35 9.740 9.740 8.723 1.017 18046 1991 1 4 . 1 1 36 36 THR N N 36 118.603 118.603 114.821 3.782 18046 1992 1 4 . 1 1 36 36 THR HA H 36 4.290 4.290 4.328 -0.038 18046 1993 1 4 . 1 1 36 36 THR C C 36 175.471 175.471 174.533 0.938 18046 1994 1 4 . 1 1 36 36 THR CA C 36 60.800 60.800 59.739 1.061 18046 1995 1 4 . 1 1 36 36 THR CB C 36 68.500 68.500 70.535 -2.035 18046 1996 1 4 . 1 1 36 36 THR H H 36 8.596 8.596 7.744 0.852 18046 1997 1 4 . 1 1 37 37 TRP N N 37 122.021 122.021 122.305 -0.284 18046 1998 1 4 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.521 -0.471 18046 1999 1 4 . 1 1 37 37 TRP C C 37 177.341 177.341 177.618 -0.277 18046 2000 1 4 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.100 2.700 18046 2001 1 4 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.471 -0.471 18046 2002 1 4 . 1 1 37 37 TRP H H 37 9.090 9.090 8.379 0.711 18046 2003 1 4 . 1 1 38 38 ASP N N 38 117.786 117.786 117.563 0.223 18046 2004 1 4 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.456 -0.066 18046 2005 1 4 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.067 -0.067 18046 2006 1 4 . 1 1 38 38 ASP CB C 38 41.300 41.300 41.531 -0.231 18046 2007 1 4 . 1 1 38 38 ASP H H 38 8.676 8.676 8.298 0.378 18046 2008 1 4 . 1 1 39 39 GLN N N 39 110.693 110.693 114.554 -3.861 18046 2009 1 4 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.453 0.037 18046 2010 1 4 . 1 1 39 39 GLN C C 39 173.398 173.398 174.188 -0.790 18046 2011 1 4 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.197 -0.397 18046 2012 1 4 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.609 0.591 18046 2013 1 4 . 1 1 39 39 GLN H H 39 7.325 7.325 7.852 -0.527 18046 2014 1 4 . 1 1 40 40 ILE N N 40 120.287 120.287 122.568 -2.281 18046 2015 1 4 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.499 0.481 18046 2016 1 4 . 1 1 40 40 ILE C C 40 175.143 175.143 176.089 -0.946 18046 2017 1 4 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.937 -1.837 18046 2018 1 4 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.596 1.104 18046 2019 1 4 . 1 1 40 40 ILE H H 40 8.663 8.663 8.520 0.143 18046 2020 1 4 . 1 1 41 41 PHE N N 41 124.653 124.653 127.767 -3.114 18046 2021 1 4 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.854 0.636 18046 2022 1 4 . 1 1 41 41 PHE C C 41 174.167 174.167 175.133 -0.966 18046 2023 1 4 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.171 0.229 18046 2024 1 4 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.104 2.096 18046 2025 1 4 . 1 1 41 41 PHE H H 41 9.555 9.555 9.475 0.080 18046 2026 1 4 . 1 1 42 42 PHE N N 42 128.681 128.681 125.312 3.369 18046 2027 1 4 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.907 0.673 18046 2028 1 4 . 1 1 42 42 PHE C C 42 172.940 172.940 174.880 -1.940 18046 2029 1 4 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.855 -1.155 18046 2030 1 4 . 1 1 42 42 PHE CB C 42 41.000 41.000 38.848 2.152 18046 2031 1 4 . 1 1 42 42 PHE H H 42 9.647 9.647 8.417 1.230 18046 2032 1 4 . 1 1 43 43 TRP N N 43 128.634 128.634 125.944 2.690 18046 2033 1 4 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.792 0.488 18046 2034 1 4 . 1 1 43 43 TRP C C 43 175.877 175.877 174.558 1.319 18046 2035 1 4 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.792 1.208 18046 2036 1 4 . 1 1 43 43 TRP CB C 43 32.200 32.200 30.136 2.064 18046 2037 1 4 . 1 1 43 43 TRP H H 43 9.997 9.997 8.788 1.209 18046 2038 1 4 . 1 1 44 44 ILE N N 44 126.166 126.166 125.732 0.434 18046 2039 1 4 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.594 -0.444 18046 2040 1 4 . 1 1 44 44 ILE C C 44 175.190 175.190 175.422 -0.232 18046 2041 1 4 . 1 1 44 44 ILE CA C 44 60.500 60.500 60.125 0.375 18046 2042 1 4 . 1 1 44 44 ILE CB C 44 39.300 39.300 40.583 -1.283 18046 2043 1 4 . 1 1 44 44 ILE H H 44 8.359 8.359 7.904 0.455 18046 2044 1 4 . 1 1 45 45 GLY N N 45 119.260 119.260 113.770 5.490 18046 2045 1 4 . 1 1 45 45 GLY C C 45 176.163 176.163 174.470 1.693 18046 2046 1 4 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.555 2.045 18046 2047 1 4 . 1 1 45 45 GLY H H 45 7.603 7.603 8.221 -0.618 18046 2048 1 4 . 1 1 46 46 LYS N N 46 124.868 124.868 119.385 5.483 18046 2049 1 4 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.420 -0.350 18046 2050 1 4 . 1 1 46 46 LYS C C 46 177.700 177.700 177.398 0.302 18046 2051 1 4 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.497 1.703 18046 2052 1 4 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.317 -0.917 18046 2053 1 4 . 1 1 46 46 LYS H H 46 9.104 9.104 8.257 0.847 18046 2054 1 4 . 1 1 47 47 GLY N N 47 106.230 106.230 107.468 -1.238 18046 2055 1 4 . 1 1 47 47 GLY C C 47 175.326 175.326 173.992 1.334 18046 2056 1 4 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.274 -1.074 18046 2057 1 4 . 1 1 47 47 GLY H H 47 8.954 8.954 8.086 0.868 18046 2058 1 4 . 1 1 48 48 ALA N N 48 125.925 125.925 123.038 2.887 18046 2059 1 4 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.176 0.444 18046 2060 1 4 . 1 1 48 48 ALA C C 48 177.829 177.829 177.661 0.168 18046 2061 1 4 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.308 0.392 18046 2062 1 4 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.692 1.208 18046 2063 1 4 . 1 1 48 48 ALA H H 48 7.484 7.484 7.871 -0.387 18046 2064 1 4 . 1 1 49 49 ASN N N 49 119.683 119.683 123.146 -3.463 18046 2065 1 4 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.559 0.541 18046 2066 1 4 . 1 1 49 49 ASN C C 49 175.874 175.874 177.046 -1.172 18046 2067 1 4 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.612 -2.012 18046 2068 1 4 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.383 1.617 18046 2069 1 4 . 1 1 49 49 ASN H H 49 8.921 8.921 8.356 0.565 18046 2070 1 4 . 1 1 50 50 GLU N N 50 118.057 118.057 121.327 -3.270 18046 2071 1 4 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.140 -0.140 18046 2072 1 4 . 1 1 50 50 GLU C C 50 178.722 178.722 178.550 0.172 18046 2073 1 4 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.799 -0.199 18046 2074 1 4 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.569 0.031 18046 2075 1 4 . 1 1 50 50 GLU H H 50 8.828 8.828 8.971 -0.143 18046 2076 1 4 . 1 1 51 51 SER N N 51 115.397 115.397 114.870 0.527 18046 2077 1 4 . 1 1 51 51 SER HA H 51 4.350 4.350 4.192 0.158 18046 2078 1 4 . 1 1 51 51 SER C C 51 177.932 177.932 176.314 1.618 18046 2079 1 4 . 1 1 51 51 SER CA C 51 61.800 61.800 61.328 0.472 18046 2080 1 4 . 1 1 51 51 SER CB C 51 62.700 62.700 63.086 -0.386 18046 2081 1 4 . 1 1 51 51 SER H H 51 8.401 8.401 8.358 0.043 18046 2082 1 4 . 1 1 52 52 GLU N N 52 122.271 122.271 121.920 0.351 18046 2083 1 4 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.105 -0.005 18046 2084 1 4 . 1 1 52 52 GLU C C 52 177.665 177.665 178.456 -0.791 18046 2085 1 4 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.709 -0.509 18046 2086 1 4 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.996 -0.596 18046 2087 1 4 . 1 1 52 52 GLU H H 52 8.566 8.566 8.308 0.258 18046 2088 1 4 . 1 1 53 53 LYS N N 53 119.319 119.319 118.376 0.943 18046 2089 1 4 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.977 0.063 18046 2090 1 4 . 1 1 53 53 LYS C C 53 178.727 178.727 178.393 0.334 18046 2091 1 4 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.188 1.712 18046 2092 1 4 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.185 0.415 18046 2093 1 4 . 1 1 53 53 LYS H H 53 7.704 7.704 7.563 0.141 18046 2094 1 4 . 1 1 54 54 GLU N N 54 119.268 119.268 118.820 0.448 18046 2095 1 4 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.123 -0.063 18046 2096 1 4 . 1 1 54 54 GLU C C 54 179.211 179.211 178.306 0.905 18046 2097 1 4 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.017 0.483 18046 2098 1 4 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.707 0.193 18046 2099 1 4 . 1 1 54 54 GLU H H 54 8.173 8.173 7.290 0.883 18046 2100 1 4 . 1 1 55 55 ALA N N 55 121.311 121.311 121.901 -0.590 18046 2101 1 4 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.818 0.132 18046 2102 1 4 . 1 1 55 55 ALA C C 55 180.920 180.920 179.355 1.565 18046 2103 1 4 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.670 -0.170 18046 2104 1 4 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.137 -1.337 18046 2105 1 4 . 1 1 55 55 ALA H H 55 7.954 7.954 8.333 -0.379 18046 2106 1 4 . 1 1 56 56 ALA N N 56 123.395 123.395 119.403 3.992 18046 2107 1 4 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.152 -0.132 18046 2108 1 4 . 1 1 56 56 ALA C C 56 178.383 178.383 178.915 -0.532 18046 2109 1 4 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.566 0.834 18046 2110 1 4 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.308 1.292 18046 2111 1 4 . 1 1 56 56 ALA H H 56 8.393 8.393 8.077 0.316 18046 2112 1 4 . 1 1 57 57 ALA N N 57 120.754 120.754 120.839 -0.085 18046 2113 1 4 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.826 0.094 18046 2114 1 4 . 1 1 57 57 ALA C C 57 180.433 180.433 179.541 0.892 18046 2115 1 4 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.661 1.039 18046 2116 1 4 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.510 -0.810 18046 2117 1 4 . 1 1 57 57 ALA H H 57 7.690 7.690 7.353 0.337 18046 2118 1 4 . 1 1 58 58 GLU N N 58 118.337 118.337 118.113 0.224 18046 2119 1 4 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.142 -0.042 18046 2120 1 4 . 1 1 58 58 GLU C C 58 179.210 179.210 179.125 0.085 18046 2121 1 4 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.243 -0.043 18046 2122 1 4 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.738 -0.438 18046 2123 1 4 . 1 1 58 58 GLU H H 58 7.423 7.423 7.779 -0.356 18046 2124 1 4 . 1 1 59 59 THR N N 59 118.744 118.744 115.509 3.235 18046 2125 1 4 . 1 1 59 59 THR HA H 59 3.860 3.860 4.033 -0.173 18046 2126 1 4 . 1 1 59 59 THR C C 59 175.722 175.722 176.113 -0.391 18046 2127 1 4 . 1 1 59 59 THR CA C 59 67.420 67.420 66.474 0.946 18046 2128 1 4 . 1 1 59 59 THR CB C 59 68.590 68.590 68.596 -0.006 18046 2129 1 4 . 1 1 59 59 THR H H 59 8.354 8.354 8.372 -0.018 18046 2130 1 4 . 1 1 60 60 ALA N N 60 122.991 122.991 123.033 -0.042 18046 2131 1 4 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.761 -0.031 18046 2132 1 4 . 1 1 60 60 ALA C C 60 178.155 178.155 179.348 -1.193 18046 2133 1 4 . 1 1 60 60 ALA CA C 60 55.700 55.700 55.017 0.683 18046 2134 1 4 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.064 -0.264 18046 2135 1 4 . 1 1 60 60 ALA H H 60 8.294 8.294 7.403 0.891 18046 2136 1 4 . 1 1 61 61 GLN N N 61 113.649 113.649 117.492 -3.843 18046 2137 1 4 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.978 0.012 18046 2138 1 4 . 1 1 61 61 GLN C C 61 178.640 178.640 178.401 0.239 18046 2139 1 4 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.368 -0.448 18046 2140 1 4 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.146 0.314 18046 2141 1 4 . 1 1 61 61 GLN H H 61 7.215 7.215 8.053 -0.838 18046 2142 1 4 . 1 1 62 62 GLU N N 62 120.684 120.684 118.254 2.430 18046 2143 1 4 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.039 0.001 18046 2144 1 4 . 1 1 62 62 GLU C C 62 179.047 179.047 178.858 0.189 18046 2145 1 4 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.263 -0.063 18046 2146 1 4 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.278 0.022 18046 2147 1 4 . 1 1 62 62 GLU H H 62 8.126 8.126 7.757 0.369 18046 2148 1 4 . 1 1 63 63 TYR N N 63 122.118 122.118 120.277 1.841 18046 2149 1 4 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.263 -0.033 18046 2150 1 4 . 1 1 63 63 TYR C C 63 178.643 178.643 177.674 0.969 18046 2151 1 4 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.879 -0.779 18046 2152 1 4 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.815 -1.015 18046 2153 1 4 . 1 1 63 63 TYR H H 63 8.796 8.796 7.737 1.059 18046 2154 1 4 . 1 1 64 64 LEU N N 64 119.163 119.163 119.737 -0.574 18046 2155 1 4 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.779 -0.099 18046 2156 1 4 . 1 1 64 64 LEU C C 64 178.475 178.475 179.395 -0.920 18046 2157 1 4 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.044 -0.044 18046 2158 1 4 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.642 1.857 18046 2159 1 4 . 1 1 64 64 LEU H H 64 7.799 7.799 7.772 0.027 18046 2160 1 4 . 1 1 65 65 ARG N N 65 116.868 116.868 116.647 0.221 18046 2161 1 4 . 1 1 65 65 ARG HA H 65 4.070 4.070 3.974 0.096 18046 2162 1 4 . 1 1 65 65 ARG C C 65 177.464 177.464 177.480 -0.016 18046 2163 1 4 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.497 0.103 18046 2164 1 4 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.868 0.932 18046 2165 1 4 . 1 1 65 65 ARG H H 65 7.842 7.842 7.568 0.274 18046 2166 1 4 . 1 1 66 66 SER N N 66 112.527 112.527 111.847 0.680 18046 2167 1 4 . 1 1 66 66 SER HA H 66 4.360 4.360 4.230 0.130 18046 2168 1 4 . 1 1 66 66 SER C C 66 174.087 174.087 175.273 -1.186 18046 2169 1 4 . 1 1 66 66 SER CA C 66 59.440 59.440 59.240 0.200 18046 2170 1 4 . 1 1 66 66 SER CB C 66 64.120 64.120 64.025 0.095 18046 2171 1 4 . 1 1 66 66 SER H H 66 7.907 7.907 7.733 0.174 18046 2172 1 4 . 1 1 67 67 HIS N N 67 123.090 123.090 122.612 0.478 18046 2173 1 4 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.442 0.218 18046 2174 1 4 . 1 1 67 67 HIS CA C 67 55.400 55.400 55.373 0.027 18046 2175 1 4 . 1 1 67 67 HIS CB C 67 29.600 29.600 29.975 -0.375 18046 2176 1 4 . 1 1 67 67 HIS H H 67 7.515 7.515 7.622 -0.107 18046 2177 1 4 . 1 1 68 68 PRO C C 68 176.365 176.365 176.896 -0.531 18046 2178 1 4 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.355 6.005 18046 2179 1 4 . 1 1 69 69 GLY N N 69 124.202 124.202 106.847 17.355 18046 2180 1 4 . 1 1 69 69 GLY C C 69 174.331 174.331 174.313 0.018 18046 2181 1 4 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.703 0.997 18046 2182 1 4 . 1 1 69 69 GLY H H 69 8.166 8.166 8.256 -0.090 18046 2183 1 4 . 1 1 70 70 SER N N 70 115.467 115.467 116.871 -1.404 18046 2184 1 4 . 1 1 70 70 SER HA H 70 4.450 4.450 4.527 -0.077 18046 2185 1 4 . 1 1 70 70 SER C C 70 174.329 174.329 175.897 -1.568 18046 2186 1 4 . 1 1 70 70 SER CA C 70 58.640 58.640 59.443 -0.803 18046 2187 1 4 . 1 1 70 70 SER CB C 70 63.040 63.040 63.868 -0.828 18046 2188 1 4 . 1 1 70 70 SER H H 70 8.280 8.280 8.629 -0.349 18046 2189 1 4 . 1 1 71 71 ARG N N 71 120.585 120.585 121.929 -1.344 18046 2190 1 4 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.446 -0.216 18046 2191 1 4 . 1 1 71 71 ARG C C 71 175.793 175.793 177.293 -1.500 18046 2192 1 4 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.646 -0.546 18046 2193 1 4 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.186 1.214 18046 2194 1 4 . 1 1 71 71 ARG H H 71 8.341 8.341 8.204 0.137 18046 2195 1 4 . 1 1 72 72 ASP N N 72 120.258 120.258 120.329 -0.071 18046 2196 1 4 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.439 0.001 18046 2197 1 4 . 1 1 72 72 ASP C C 72 178.038 178.038 177.922 0.116 18046 2198 1 4 . 1 1 72 72 ASP CA C 72 54.530 54.530 56.877 -2.347 18046 2199 1 4 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.404 0.366 18046 2200 1 4 . 1 1 72 72 ASP H H 72 8.471 8.471 8.631 -0.160 18046 2201 1 4 . 1 1 73 73 LEU N N 73 127.518 127.518 118.449 9.069 18046 2202 1 4 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.108 -0.018 18046 2203 1 4 . 1 1 73 73 LEU C C 73 177.417 177.417 177.801 -0.384 18046 2204 1 4 . 1 1 73 73 LEU CA C 73 57.000 57.000 56.800 0.200 18046 2205 1 4 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.062 -1.062 18046 2206 1 4 . 1 1 73 73 LEU H H 73 8.826 8.826 7.843 0.983 18046 2207 1 4 . 1 1 74 74 ASP N N 74 117.787 117.787 116.964 0.823 18046 2208 1 4 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.449 0.291 18046 2209 1 4 . 1 1 74 74 ASP C C 74 175.765 175.765 176.575 -0.810 18046 2210 1 4 . 1 1 74 74 ASP CA C 74 53.900 53.900 56.059 -2.159 18046 2211 1 4 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.736 -0.266 18046 2212 1 4 . 1 1 74 74 ASP H H 74 8.480 8.480 7.907 0.573 18046 2213 1 4 . 1 1 75 75 THR N N 75 119.682 119.682 117.172 2.510 18046 2214 1 4 . 1 1 75 75 THR HA H 75 4.210 4.210 4.213 -0.003 18046 2215 1 4 . 1 1 75 75 THR CA C 75 62.440 62.440 62.022 0.418 18046 2216 1 4 . 1 1 75 75 THR CB C 75 70.940 70.940 69.143 1.797 18046 2217 1 4 . 1 1 75 75 THR H H 75 7.303 7.303 7.480 -0.177 18046 2218 1 4 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.309 -0.069 18046 2219 1 4 . 1 1 76 76 PRO C C 76 174.823 174.823 175.574 -0.751 18046 2220 1 4 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.565 1.035 18046 2221 1 4 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.366 0.734 18046 2222 1 4 . 1 1 77 77 ILE N N 77 121.906 121.906 118.840 3.066 18046 2223 1 4 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.994 0.996 18046 2224 1 4 . 1 1 77 77 ILE C C 77 176.571 176.571 176.316 0.255 18046 2225 1 4 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.248 -0.748 18046 2226 1 4 . 1 1 77 77 ILE CB C 77 38.100 38.100 40.133 -2.033 18046 2227 1 4 . 1 1 77 77 ILE H H 77 8.052 8.052 7.867 0.185 18046 2228 1 4 . 1 1 78 78 ILE N N 78 130.054 130.054 127.541 2.513 18046 2229 1 4 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.032 0.268 18046 2230 1 4 . 1 1 78 78 ILE C C 78 175.471 175.471 175.307 0.164 18046 2231 1 4 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.856 -1.056 18046 2232 1 4 . 1 1 78 78 ILE CB C 78 39.300 39.300 36.998 2.301 18046 2233 1 4 . 1 1 78 78 ILE H H 78 8.977 8.977 8.382 0.595 18046 2234 1 4 . 1 1 79 79 VAL N N 79 130.072 130.072 127.617 2.455 18046 2235 1 4 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.970 0.720 18046 2236 1 4 . 1 1 79 79 VAL C C 79 176.024 176.024 175.876 0.148 18046 2237 1 4 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.428 0.472 18046 2238 1 4 . 1 1 79 79 VAL CB C 79 31.700 31.700 31.903 -0.203 18046 2239 1 4 . 1 1 79 79 VAL H H 79 8.872 8.872 8.000 0.872 18046 2240 1 4 . 1 1 80 80 VAL N N 80 129.055 129.055 126.412 2.643 18046 2241 1 4 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.280 0.140 18046 2242 1 4 . 1 1 80 80 VAL C C 80 173.028 173.028 174.572 -1.544 18046 2243 1 4 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.746 -0.746 18046 2244 1 4 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.052 1.348 18046 2245 1 4 . 1 1 80 80 VAL H H 80 9.608 9.608 8.225 1.383 18046 2246 1 4 . 1 1 81 81 LYS N N 81 123.854 123.854 123.946 -0.092 18046 2247 1 4 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.684 -0.514 18046 2248 1 4 . 1 1 81 81 LYS C C 81 175.225 175.225 175.952 -0.727 18046 2249 1 4 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.730 0.370 18046 2250 1 4 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.605 -0.405 18046 2251 1 4 . 1 1 81 81 LYS H H 81 8.441 8.441 8.338 0.103 18046 2252 1 4 . 1 1 82 82 GLN N N 82 121.237 121.237 121.403 -0.166 18046 2253 1 4 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.078 -0.118 18046 2254 1 4 . 1 1 82 82 GLN C C 82 177.016 177.016 176.384 0.632 18046 2255 1 4 . 1 1 82 82 GLN CA C 82 56.500 56.500 57.228 -0.728 18046 2256 1 4 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.982 0.118 18046 2257 1 4 . 1 1 82 82 GLN H H 82 6.493 6.493 8.646 -2.153 18046 2258 1 4 . 1 1 83 83 GLY N N 83 118.629 118.629 113.554 5.075 18046 2259 1 4 . 1 1 83 83 GLY C C 83 174.491 174.491 172.961 1.530 18046 2260 1 4 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.330 1.070 18046 2261 1 4 . 1 1 83 83 GLY H H 83 10.072 10.072 8.518 1.554 18046 2262 1 4 . 1 1 84 84 PHE N N 84 120.834 120.834 120.081 0.753 18046 2263 1 4 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.629 0.281 18046 2264 1 4 . 1 1 84 84 PHE C C 84 177.056 177.056 174.364 2.692 18046 2265 1 4 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.236 -0.736 18046 2266 1 4 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.873 -2.172 18046 2267 1 4 . 1 1 84 84 PHE H H 84 8.431 8.431 7.281 1.150 18046 2268 1 4 . 1 1 85 85 GLU N N 85 125.174 125.174 125.266 -0.092 18046 2269 1 4 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.793 -0.683 18046 2270 1 4 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.536 4.344 18046 2271 1 4 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.167 -2.997 18046 2272 1 4 . 1 1 85 85 GLU H H 85 10.207 10.207 8.532 1.675 18046 2273 1 4 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.487 0.263 18046 2274 1 4 . 1 1 87 87 PRO C C 87 178.401 178.401 178.066 0.335 18046 2275 1 4 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.910 -0.410 18046 2276 1 4 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.940 -0.540 18046 2277 1 4 . 1 1 88 88 THR N N 88 107.088 107.088 112.393 -5.305 18046 2278 1 4 . 1 1 88 88 THR HA H 88 4.080 4.080 4.049 0.031 18046 2279 1 4 . 1 1 88 88 THR C C 88 174.325 174.325 175.683 -1.358 18046 2280 1 4 . 1 1 88 88 THR CA C 88 63.200 63.200 64.987 -1.787 18046 2281 1 4 . 1 1 88 88 THR CB C 88 68.300 68.300 68.169 0.131 18046 2282 1 4 . 1 1 88 88 THR H H 88 7.316 7.316 8.159 -0.843 18046 2283 1 4 . 1 1 89 89 PHE N N 89 119.031 119.031 122.229 -3.198 18046 2284 1 4 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.966 -0.046 18046 2285 1 4 . 1 1 89 89 PHE C C 89 175.661 175.661 177.305 -1.644 18046 2286 1 4 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.877 -0.876 18046 2287 1 4 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.843 2.217 18046 2288 1 4 . 1 1 89 89 PHE H H 89 7.437 7.437 7.903 -0.466 18046 2289 1 4 . 1 1 90 90 THR N N 90 107.216 107.216 116.306 -9.090 18046 2290 1 4 . 1 1 90 90 THR HA H 90 3.210 3.210 3.281 -0.071 18046 2291 1 4 . 1 1 90 90 THR C C 90 177.340 177.340 176.506 0.834 18046 2292 1 4 . 1 1 90 90 THR CA C 90 65.000 65.000 67.056 -2.056 18046 2293 1 4 . 1 1 90 90 THR CB C 90 68.200 68.200 67.819 0.381 18046 2294 1 4 . 1 1 90 90 THR H H 90 7.675 7.675 7.953 -0.278 18046 2295 1 4 . 1 1 91 91 GLY N N 91 106.674 106.674 109.133 -2.459 18046 2296 1 4 . 1 1 91 91 GLY C C 91 174.591 174.591 174.728 -0.137 18046 2297 1 4 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.745 0.555 18046 2298 1 4 . 1 1 91 91 GLY H H 91 7.865 7.865 7.403 0.462 18046 2299 1 4 . 1 1 92 92 TRP N N 92 117.951 117.951 119.011 -1.060 18046 2300 1 4 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.319 0.171 18046 2301 1 4 . 1 1 92 92 TRP C C 92 174.042 174.042 176.185 -2.143 18046 2302 1 4 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.890 0.580 18046 2303 1 4 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.267 0.363 18046 2304 1 4 . 1 1 92 92 TRP H H 92 7.018 7.018 7.158 -0.140 18046 2305 1 4 . 1 1 93 93 PHE N N 93 118.863 118.863 115.667 3.196 18046 2306 1 4 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.298 0.312 18046 2307 1 4 . 1 1 93 93 PHE C C 93 175.872 175.872 176.336 -0.464 18046 2308 1 4 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.501 0.399 18046 2309 1 4 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.285 0.515 18046 2310 1 4 . 1 1 93 93 PHE H H 93 7.956 7.956 7.679 0.277 18046 2311 1 4 . 1 1 94 94 MET N N 94 121.781 121.781 118.478 3.303 18046 2312 1 4 . 1 1 94 94 MET HA H 94 4.200 4.200 4.229 -0.029 18046 2313 1 4 . 1 1 94 94 MET C C 94 175.794 175.794 176.327 -0.533 18046 2314 1 4 . 1 1 94 94 MET CA C 94 57.900 57.900 55.262 2.638 18046 2315 1 4 . 1 1 94 94 MET CB C 94 32.300 32.300 32.010 0.290 18046 2316 1 4 . 1 1 94 94 MET H H 94 8.825 8.825 8.714 0.111 18046 2317 1 4 . 1 1 95 95 ALA N N 95 120.648 120.648 122.434 -1.786 18046 2318 1 4 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.387 0.053 18046 2319 1 4 . 1 1 95 95 ALA C C 95 175.600 175.600 176.561 -0.961 18046 2320 1 4 . 1 1 95 95 ALA CA C 95 51.800 51.800 51.054 0.746 18046 2321 1 4 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.663 2.137 18046 2322 1 4 . 1 1 95 95 ALA H H 95 8.037 8.037 7.611 0.426 18046 2323 1 4 . 1 1 96 96 TRP N N 96 121.009 121.009 123.704 -2.695 18046 2324 1 4 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.385 -0.175 18046 2325 1 4 . 1 1 96 96 TRP C C 96 174.409 174.409 176.096 -1.687 18046 2326 1 4 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.620 0.180 18046 2327 1 4 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.959 0.541 18046 2328 1 4 . 1 1 96 96 TRP H H 96 8.481 8.481 8.400 0.081 18046 2329 1 4 . 1 1 97 97 ASP N N 97 128.963 128.963 121.086 7.877 18046 2330 1 4 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.106 -0.016 18046 2331 1 4 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.967 -1.407 18046 2332 1 4 . 1 1 97 97 ASP CB C 97 42.530 42.530 42.884 -0.354 18046 2333 1 4 . 1 1 97 97 ASP H H 97 8.850 8.850 8.876 -0.026 18046 2334 1 4 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.401 0.109 18046 2335 1 4 . 1 1 98 98 PRO C C 98 177.169 177.169 177.263 -0.094 18046 2336 1 4 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.015 0.185 18046 2337 1 4 . 1 1 98 98 PRO CB C 98 32.570 32.570 31.981 0.589 18046 2338 1 4 . 1 1 99 99 LEU N N 99 118.381 118.381 119.418 -1.037 18046 2339 1 4 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.453 0.077 18046 2340 1 4 . 1 1 99 99 LEU C C 99 177.338 177.338 178.160 -0.822 18046 2341 1 4 . 1 1 99 99 LEU CA C 99 54.550 54.550 54.975 -0.425 18046 2342 1 4 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.478 -0.728 18046 2343 1 4 . 1 1 99 99 LEU H H 99 8.372 8.372 7.663 0.709 18046 2344 1 4 . 1 1 100 100 CYS N N 100 119.396 119.396 119.064 0.332 18046 2345 1 4 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.306 -0.696 18046 2346 1 4 . 1 1 100 100 CYS C C 100 174.820 174.820 175.867 -1.047 18046 2347 1 4 . 1 1 100 100 CYS CA C 100 61.500 61.500 60.974 0.527 18046 2348 1 4 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.365 0.935 18046 2349 1 4 . 1 1 100 100 CYS H H 100 7.052 7.052 7.848 -0.796 18046 2350 1 4 . 1 1 101 101 TRP N N 101 115.737 115.737 121.297 -5.560 18046 2351 1 4 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.629 0.151 18046 2352 1 4 . 1 1 101 101 TRP C C 101 176.485 176.485 176.103 0.382 18046 2353 1 4 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.354 1.546 18046 2354 1 4 . 1 1 101 101 TRP CB C 101 28.100 28.100 28.123 -0.023 18046 2355 1 4 . 1 1 101 101 TRP H H 101 7.625 7.625 7.833 -0.208 18046 2356 1 4 . 1 1 102 102 SER N N 102 115.896 115.896 115.739 0.157 18046 2357 1 4 . 1 1 102 102 SER HA H 102 4.520 4.520 4.213 0.307 18046 2358 1 4 . 1 1 102 102 SER C C 102 174.333 174.333 175.611 -1.278 18046 2359 1 4 . 1 1 102 102 SER CA C 102 59.200 59.200 61.030 -1.830 18046 2360 1 4 . 1 1 102 102 SER CB C 102 64.100 64.100 62.957 1.143 18046 2361 1 4 . 1 1 102 102 SER H H 102 7.916 7.916 7.833 0.083 18046 2362 1 4 . 1 1 103 103 ASP N N 103 122.262 122.262 119.581 2.681 18046 2363 1 4 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.741 -0.081 18046 2364 1 4 . 1 1 103 103 ASP C C 103 176.129 176.129 178.319 -2.190 18046 2365 1 4 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.671 -0.971 18046 2366 1 4 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.204 -0.204 18046 2367 1 4 . 1 1 103 103 ASP H H 103 8.450 8.450 7.740 0.710 18046 2368 1 4 . 1 1 104 104 ARG N N 104 120.795 120.795 119.076 1.719 18046 2369 1 4 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.814 0.516 18046 2370 1 4 . 1 1 104 104 ARG C C 104 176.283 176.283 177.762 -1.479 18046 2371 1 4 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.235 -2.035 18046 2372 1 4 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.290 1.460 18046 2373 1 4 . 1 1 104 104 ARG H H 104 8.117 8.117 8.249 -0.132 18046 2374 1 4 . 1 1 105 105 LYS N N 105 122.131 122.131 116.392 5.739 18046 2375 1 4 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.230 0.115 18046 2376 1 4 . 1 1 105 105 LYS C C 105 176.284 176.284 176.761 -0.477 18046 2377 1 4 . 1 1 105 105 LYS CA C 105 56.300 56.300 57.017 -0.716 18046 2378 1 4 . 1 1 105 105 LYS CB C 105 33.100 33.100 33.012 0.088 18046 2379 1 4 . 1 1 105 105 LYS H H 105 8.294 8.294 7.631 0.663 18046 2380 1 4 . 1 1 106 106 SER N N 106 116.993 116.993 114.973 2.020 18046 2381 1 4 . 1 1 106 106 SER HA H 106 4.470 4.470 4.578 -0.108 18046 2382 1 4 . 1 1 106 106 SER CA C 106 58.300 58.300 57.525 0.775 18046 2383 1 4 . 1 1 106 106 SER CB C 106 64.200 64.200 64.955 -0.755 18046 2384 1 4 . 1 1 106 106 SER H H 106 8.235 8.235 7.637 0.598 18046 2385 1 5 . 1 1 2 2 ARG N N 2 117.203 117.203 118.430 -1.227 18046 2386 1 5 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.935 0.115 18046 2387 1 5 . 1 1 2 2 ARG C C 2 172.726 172.726 174.509 -1.783 18046 2388 1 5 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.615 0.584 18046 2389 1 5 . 1 1 2 2 ARG CB C 2 29.900 29.900 33.047 -3.147 18046 2390 1 5 . 1 1 2 2 ARG H H 2 8.108 8.108 7.851 0.257 18046 2391 1 5 . 1 1 3 3 LEU N N 3 125.261 125.261 119.160 6.101 18046 2392 1 5 . 1 1 3 3 LEU HA H 3 5.220 5.220 5.101 0.119 18046 2393 1 5 . 1 1 3 3 LEU C C 3 174.166 174.166 175.358 -1.192 18046 2394 1 5 . 1 1 3 3 LEU CA C 3 53.000 53.000 52.998 0.002 18046 2395 1 5 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.648 -0.248 18046 2396 1 5 . 1 1 3 3 LEU H H 3 8.542 8.542 8.248 0.294 18046 2397 1 5 . 1 1 4 4 PHE N N 4 123.490 123.490 116.485 7.005 18046 2398 1 5 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.819 0.281 18046 2399 1 5 . 1 1 4 4 PHE C C 4 174.820 174.820 174.536 0.284 18046 2400 1 5 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.383 -1.093 18046 2401 1 5 . 1 1 4 4 PHE CB C 4 41.350 41.350 41.272 0.078 18046 2402 1 5 . 1 1 4 4 PHE H H 4 9.591 9.591 8.739 0.852 18046 2403 1 5 . 1 1 5 5 GLU N N 5 125.718 125.718 125.318 0.400 18046 2404 1 5 . 1 1 5 5 GLU HA H 5 4.020 4.020 5.050 -1.030 18046 2405 1 5 . 1 1 5 5 GLU C C 5 174.892 174.892 175.956 -1.064 18046 2406 1 5 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.377 -0.277 18046 2407 1 5 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.604 2.246 18046 2408 1 5 . 1 1 5 5 GLU H H 5 9.484 9.484 8.603 0.881 18046 2409 1 5 . 1 1 6 6 CYS N N 6 127.915 127.915 125.974 1.941 18046 2410 1 5 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.192 -0.172 18046 2411 1 5 . 1 1 6 6 CYS C C 6 172.378 172.378 173.771 -1.393 18046 2412 1 5 . 1 1 6 6 CYS CA C 6 58.000 58.000 56.525 1.475 18046 2413 1 5 . 1 1 6 6 CYS CB C 6 29.300 29.300 28.256 1.044 18046 2414 1 5 . 1 1 6 6 CYS H H 6 8.937 8.937 8.389 0.548 18046 2415 1 5 . 1 1 7 7 SER N N 7 113.574 113.574 118.016 -4.442 18046 2416 1 5 . 1 1 7 7 SER HA H 7 5.420 5.420 4.835 0.585 18046 2417 1 5 . 1 1 7 7 SER C C 7 175.632 175.632 172.869 2.763 18046 2418 1 5 . 1 1 7 7 SER CA C 7 55.400 55.400 56.776 -1.376 18046 2419 1 5 . 1 1 7 7 SER CB C 7 65.900 65.900 66.401 -0.501 18046 2420 1 5 . 1 1 7 7 SER H H 7 7.873 7.873 8.211 -0.338 18046 2421 1 5 . 1 1 8 8 ASN N N 8 126.153 126.153 121.695 4.458 18046 2422 1 5 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.133 0.507 18046 2423 1 5 . 1 1 8 8 ASN C C 8 178.392 178.392 175.828 2.564 18046 2424 1 5 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.650 -1.150 18046 2425 1 5 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.019 -0.919 18046 2426 1 5 . 1 1 8 8 ASN H H 8 10.299 10.299 9.099 1.200 18046 2427 1 5 . 1 1 9 9 LYS N N 9 123.420 123.420 123.540 -0.120 18046 2428 1 5 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.169 0.061 18046 2429 1 5 . 1 1 9 9 LYS C C 9 177.891 177.891 177.310 0.581 18046 2430 1 5 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.123 0.677 18046 2431 1 5 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.853 -0.953 18046 2432 1 5 . 1 1 9 9 LYS H H 9 9.064 9.064 8.485 0.579 18046 2433 1 5 . 1 1 10 10 THR N N 10 110.292 110.292 108.485 1.807 18046 2434 1 5 . 1 1 10 10 THR HA H 10 4.480 4.480 4.470 0.010 18046 2435 1 5 . 1 1 10 10 THR C C 10 175.392 175.392 175.791 -0.399 18046 2436 1 5 . 1 1 10 10 THR CA C 10 63.100 63.100 62.368 0.732 18046 2437 1 5 . 1 1 10 10 THR CB C 10 70.100 70.100 70.011 0.089 18046 2438 1 5 . 1 1 10 10 THR H H 10 8.525 8.525 7.891 0.634 18046 2439 1 5 . 1 1 11 11 GLY N N 11 110.668 110.668 110.193 0.475 18046 2440 1 5 . 1 1 11 11 GLY C C 11 172.867 172.867 173.626 -0.759 18046 2441 1 5 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.121 -0.421 18046 2442 1 5 . 1 1 11 11 GLY H H 11 8.266 8.266 8.107 0.159 18046 2443 1 5 . 1 1 12 12 ARG N N 12 118.170 118.170 120.254 -2.084 18046 2444 1 5 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.701 -0.041 18046 2445 1 5 . 1 1 12 12 ARG C C 12 173.924 173.924 174.577 -0.653 18046 2446 1 5 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.736 -0.836 18046 2447 1 5 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.952 -0.152 18046 2448 1 5 . 1 1 12 12 ARG H H 12 7.538 7.538 7.821 -0.283 18046 2449 1 5 . 1 1 13 13 PHE N N 13 121.956 121.956 123.357 -1.401 18046 2450 1 5 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.451 0.083 18046 2451 1 5 . 1 1 13 13 PHE C C 13 174.005 174.005 173.979 0.026 18046 2452 1 5 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.976 1.524 18046 2453 1 5 . 1 1 13 13 PHE CB C 13 39.000 39.000 40.215 -1.215 18046 2454 1 5 . 1 1 13 13 PHE H H 13 8.926 8.926 8.650 0.276 18046 2455 1 5 . 1 1 14 14 LEU N N 14 129.824 129.824 127.242 2.582 18046 2456 1 5 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.248 0.062 18046 2457 1 5 . 1 1 14 14 LEU C C 14 173.801 173.801 174.169 -0.368 18046 2458 1 5 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.884 1.316 18046 2459 1 5 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.082 1.518 18046 2460 1 5 . 1 1 14 14 LEU H H 14 8.114 8.114 7.320 0.794 18046 2461 1 5 . 1 1 15 15 ALA N N 15 125.201 125.201 125.382 -0.181 18046 2462 1 5 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.401 1.129 18046 2463 1 5 . 1 1 15 15 ALA C C 15 177.178 177.178 176.574 0.604 18046 2464 1 5 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.366 -1.566 18046 2465 1 5 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.232 0.568 18046 2466 1 5 . 1 1 15 15 ALA H H 15 8.234 8.234 8.189 0.045 18046 2467 1 5 . 1 1 16 16 THR N N 16 119.393 119.393 118.901 0.492 18046 2468 1 5 . 1 1 16 16 THR HA H 16 4.654 4.654 4.544 0.110 18046 2469 1 5 . 1 1 16 16 THR C C 16 173.434 173.434 172.690 0.744 18046 2470 1 5 . 1 1 16 16 THR CA C 16 61.261 61.261 60.903 0.358 18046 2471 1 5 . 1 1 16 16 THR CB C 16 71.500 71.500 71.370 0.130 18046 2472 1 5 . 1 1 16 16 THR H H 16 9.149 9.149 8.111 1.038 18046 2473 1 5 . 1 1 17 17 GLU N N 17 128.928 128.928 123.442 5.486 18046 2474 1 5 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.531 -0.141 18046 2475 1 5 . 1 1 17 17 GLU C C 17 175.799 175.799 174.923 0.876 18046 2476 1 5 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.789 2.011 18046 2477 1 5 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.806 -2.406 18046 2478 1 5 . 1 1 17 17 GLU H H 17 9.269 9.269 8.589 0.680 18046 2479 1 5 . 1 1 18 18 ILE N N 18 129.185 129.185 126.015 3.170 18046 2480 1 5 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.057 0.333 18046 2481 1 5 . 1 1 18 18 ILE C C 18 176.202 176.202 174.656 1.546 18046 2482 1 5 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.575 1.125 18046 2483 1 5 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.873 -1.773 18046 2484 1 5 . 1 1 18 18 ILE H H 18 8.814 8.814 8.307 0.507 18046 2485 1 5 . 1 1 19 19 VAL N N 19 127.068 127.068 125.773 1.295 18046 2486 1 5 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.721 0.559 18046 2487 1 5 . 1 1 19 19 VAL C C 19 175.632 175.632 176.348 -0.716 18046 2488 1 5 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.802 -1.202 18046 2489 1 5 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.116 0.384 18046 2490 1 5 . 1 1 19 19 VAL H H 19 8.600 8.600 7.925 0.675 18046 2491 1 5 . 1 1 20 20 ASP N N 20 122.793 122.793 123.713 -0.920 18046 2492 1 5 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.170 0.120 18046 2493 1 5 . 1 1 20 20 ASP C C 20 175.742 175.742 175.311 0.431 18046 2494 1 5 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.404 -0.304 18046 2495 1 5 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.902 -0.902 18046 2496 1 5 . 1 1 20 20 ASP H H 20 9.037 9.037 8.271 0.766 18046 2497 1 5 . 1 1 21 21 PHE N N 21 113.443 113.443 123.393 -9.950 18046 2498 1 5 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.680 0.130 18046 2499 1 5 . 1 1 21 21 PHE C C 21 175.062 175.062 175.384 -0.322 18046 2500 1 5 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.233 0.967 18046 2501 1 5 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.244 -0.344 18046 2502 1 5 . 1 1 21 21 PHE H H 21 6.542 6.542 7.572 -1.030 18046 2503 1 5 . 1 1 22 22 THR N N 22 112.200 112.200 112.127 0.073 18046 2504 1 5 . 1 1 22 22 THR HA H 22 4.900 4.900 4.874 0.026 18046 2505 1 5 . 1 1 22 22 THR C C 22 175.307 175.307 175.806 -0.499 18046 2506 1 5 . 1 1 22 22 THR CA C 22 60.400 60.400 60.581 -0.181 18046 2507 1 5 . 1 1 22 22 THR CB C 22 73.300 73.300 71.122 2.178 18046 2508 1 5 . 1 1 22 22 THR H H 22 9.640 9.640 8.191 1.449 18046 2509 1 5 . 1 1 23 23 GLN N N 23 122.406 122.406 118.769 3.637 18046 2510 1 5 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.221 -0.541 18046 2511 1 5 . 1 1 23 23 GLN C C 23 176.527 176.527 177.475 -0.948 18046 2512 1 5 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.383 0.618 18046 2513 1 5 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.231 -0.631 18046 2514 1 5 . 1 1 23 23 GLN H H 23 9.766 9.766 8.742 1.024 18046 2515 1 5 . 1 1 24 24 ASP N N 24 114.153 114.153 121.041 -6.888 18046 2516 1 5 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.442 -0.342 18046 2517 1 5 . 1 1 24 24 ASP C C 24 176.528 176.528 177.298 -0.770 18046 2518 1 5 . 1 1 24 24 ASP CA C 24 55.900 55.900 57.303 -1.403 18046 2519 1 5 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.736 0.024 18046 2520 1 5 . 1 1 24 24 ASP H H 24 7.760 7.760 7.833 -0.073 18046 2521 1 5 . 1 1 25 25 ASP N N 25 116.379 116.379 116.428 -0.049 18046 2522 1 5 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.736 -0.196 18046 2523 1 5 . 1 1 25 25 ASP C C 25 175.059 175.059 176.123 -1.064 18046 2524 1 5 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.315 0.885 18046 2525 1 5 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.634 0.866 18046 2526 1 5 . 1 1 25 25 ASP H H 25 7.655 7.655 8.461 -0.806 18046 2527 1 5 . 1 1 26 26 LEU N N 26 118.095 118.095 122.617 -4.522 18046 2528 1 5 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.171 -0.891 18046 2529 1 5 . 1 1 26 26 LEU C C 26 174.177 174.177 176.406 -2.229 18046 2530 1 5 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.455 -1.554 18046 2531 1 5 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.698 -1.398 18046 2532 1 5 . 1 1 26 26 LEU H H 26 7.309 7.309 7.255 0.054 18046 2533 1 5 . 1 1 27 27 ASP N N 27 127.757 127.757 126.737 1.020 18046 2534 1 5 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.610 0.190 18046 2535 1 5 . 1 1 27 27 ASP C C 27 177.178 177.178 177.051 0.127 18046 2536 1 5 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.009 -0.509 18046 2537 1 5 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.648 1.852 18046 2538 1 5 . 1 1 27 27 ASP H H 27 8.612 8.612 8.169 0.443 18046 2539 1 5 . 1 1 28 28 GLU N N 28 124.674 124.674 119.544 5.130 18046 2540 1 5 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.197 0.193 18046 2541 1 5 . 1 1 28 28 GLU C C 28 175.019 175.019 176.496 -1.477 18046 2542 1 5 . 1 1 28 28 GLU CA C 28 57.700 57.700 58.599 -0.899 18046 2543 1 5 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.293 -0.693 18046 2544 1 5 . 1 1 28 28 GLU H H 28 8.632 8.632 8.681 -0.049 18046 2545 1 5 . 1 1 29 29 ASN N N 29 115.882 115.882 118.738 -2.856 18046 2546 1 5 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.983 -0.353 18046 2547 1 5 . 1 1 29 29 ASN C C 29 175.382 175.382 173.676 1.706 18046 2548 1 5 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.635 0.166 18046 2549 1 5 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.624 0.376 18046 2550 1 5 . 1 1 29 29 ASN H H 29 9.360 9.360 8.287 1.073 18046 2551 1 5 . 1 1 30 30 ASP N N 30 127.013 127.013 122.036 4.977 18046 2552 1 5 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.844 0.706 18046 2553 1 5 . 1 1 30 30 ASP C C 30 172.009 172.009 174.385 -2.376 18046 2554 1 5 . 1 1 30 30 ASP CA C 30 54.200 54.200 52.799 1.401 18046 2555 1 5 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.720 0.080 18046 2556 1 5 . 1 1 30 30 ASP H H 30 8.710 8.710 8.572 0.138 18046 2557 1 5 . 1 1 31 31 VAL N N 31 112.784 112.784 120.664 -7.880 18046 2558 1 5 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.334 1.066 18046 2559 1 5 . 1 1 31 31 VAL C C 31 173.273 173.273 175.193 -1.920 18046 2560 1 5 . 1 1 31 31 VAL CA C 31 60.000 60.000 61.877 -1.877 18046 2561 1 5 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.354 3.446 18046 2562 1 5 . 1 1 31 31 VAL H H 31 7.364 7.364 8.386 -1.022 18046 2563 1 5 . 1 1 32 32 TYR N N 32 120.917 120.917 126.623 -5.706 18046 2564 1 5 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.325 0.345 18046 2565 1 5 . 1 1 32 32 TYR C C 32 174.735 174.735 175.723 -0.988 18046 2566 1 5 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.861 0.939 18046 2567 1 5 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.608 1.492 18046 2568 1 5 . 1 1 32 32 TYR H H 32 9.698 9.698 8.251 1.447 18046 2569 1 5 . 1 1 33 33 LEU N N 33 119.790 119.790 120.099 -0.309 18046 2570 1 5 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.995 0.715 18046 2571 1 5 . 1 1 33 33 LEU C C 33 175.551 175.551 175.159 0.392 18046 2572 1 5 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.295 -1.815 18046 2573 1 5 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.131 0.154 18046 2574 1 5 . 1 1 33 33 LEU H H 33 9.111 9.111 8.761 0.350 18046 2575 1 5 . 1 1 34 34 LEU N N 34 125.829 125.829 126.428 -0.599 18046 2576 1 5 . 1 1 34 34 LEU HA H 34 5.410 5.410 4.962 0.448 18046 2577 1 5 . 1 1 34 34 LEU C C 34 174.819 174.819 174.583 0.236 18046 2578 1 5 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.355 -0.035 18046 2579 1 5 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.312 -0.732 18046 2580 1 5 . 1 1 34 34 LEU H H 34 9.847 9.847 8.002 1.845 18046 2581 1 5 . 1 1 35 35 ASP N N 35 126.739 126.739 127.664 -0.925 18046 2582 1 5 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.922 0.218 18046 2583 1 5 . 1 1 35 35 ASP C C 35 176.690 176.690 175.644 1.046 18046 2584 1 5 . 1 1 35 35 ASP CA C 35 53.600 53.600 53.303 0.297 18046 2585 1 5 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.557 0.643 18046 2586 1 5 . 1 1 35 35 ASP H H 35 9.740 9.740 8.637 1.103 18046 2587 1 5 . 1 1 36 36 THR N N 36 118.603 118.603 113.685 4.918 18046 2588 1 5 . 1 1 36 36 THR HA H 36 4.290 4.290 4.339 -0.049 18046 2589 1 5 . 1 1 36 36 THR C C 36 175.471 175.471 174.306 1.165 18046 2590 1 5 . 1 1 36 36 THR CA C 36 60.800 60.800 59.475 1.325 18046 2591 1 5 . 1 1 36 36 THR CB C 36 68.500 68.500 70.695 -2.195 18046 2592 1 5 . 1 1 36 36 THR H H 36 8.596 8.596 7.787 0.809 18046 2593 1 5 . 1 1 37 37 TRP N N 37 122.021 122.021 122.561 -0.540 18046 2594 1 5 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.423 -0.373 18046 2595 1 5 . 1 1 37 37 TRP C C 37 177.341 177.341 176.492 0.849 18046 2596 1 5 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.442 2.358 18046 2597 1 5 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.628 -0.628 18046 2598 1 5 . 1 1 37 37 TRP H H 37 9.090 9.090 8.319 0.771 18046 2599 1 5 . 1 1 38 38 ASP N N 38 117.786 117.786 117.834 -0.048 18046 2600 1 5 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.723 -0.333 18046 2601 1 5 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.411 -0.411 18046 2602 1 5 . 1 1 38 38 ASP CB C 38 41.300 41.300 42.105 -0.805 18046 2603 1 5 . 1 1 38 38 ASP H H 38 8.676 8.676 7.755 0.921 18046 2604 1 5 . 1 1 39 39 GLN N N 39 110.693 110.693 114.784 -4.091 18046 2605 1 5 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.442 0.048 18046 2606 1 5 . 1 1 39 39 GLN C C 39 173.398 173.398 174.239 -0.841 18046 2607 1 5 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.440 -0.640 18046 2608 1 5 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.749 0.451 18046 2609 1 5 . 1 1 39 39 GLN H H 39 7.325 7.325 7.958 -0.633 18046 2610 1 5 . 1 1 40 40 ILE N N 40 120.287 120.287 122.967 -2.680 18046 2611 1 5 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.432 0.548 18046 2612 1 5 . 1 1 40 40 ILE C C 40 175.143 175.143 175.499 -0.356 18046 2613 1 5 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.214 -1.114 18046 2614 1 5 . 1 1 40 40 ILE CB C 40 39.700 39.700 37.897 1.803 18046 2615 1 5 . 1 1 40 40 ILE H H 40 8.663 8.663 8.543 0.120 18046 2616 1 5 . 1 1 41 41 PHE N N 41 124.653 124.653 127.864 -3.211 18046 2617 1 5 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.676 0.814 18046 2618 1 5 . 1 1 41 41 PHE C C 41 174.167 174.167 174.972 -0.805 18046 2619 1 5 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.251 0.150 18046 2620 1 5 . 1 1 41 41 PHE CB C 41 42.200 42.200 39.820 2.380 18046 2621 1 5 . 1 1 41 41 PHE H H 41 9.555 9.555 8.775 0.780 18046 2622 1 5 . 1 1 42 42 PHE N N 42 128.681 128.681 125.410 3.271 18046 2623 1 5 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.867 0.713 18046 2624 1 5 . 1 1 42 42 PHE C C 42 172.940 172.940 174.993 -2.053 18046 2625 1 5 . 1 1 42 42 PHE CA C 42 54.700 54.700 56.417 -1.717 18046 2626 1 5 . 1 1 42 42 PHE CB C 42 41.000 41.000 39.197 1.804 18046 2627 1 5 . 1 1 42 42 PHE H H 42 9.647 9.647 8.457 1.190 18046 2628 1 5 . 1 1 43 43 TRP N N 43 128.634 128.634 125.797 2.837 18046 2629 1 5 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.799 0.481 18046 2630 1 5 . 1 1 43 43 TRP C C 43 175.877 175.877 174.625 1.252 18046 2631 1 5 . 1 1 43 43 TRP CA C 43 58.000 58.000 57.050 0.950 18046 2632 1 5 . 1 1 43 43 TRP CB C 43 32.200 32.200 30.209 1.992 18046 2633 1 5 . 1 1 43 43 TRP H H 43 9.997 9.997 9.016 0.981 18046 2634 1 5 . 1 1 44 44 ILE N N 44 126.166 126.166 125.113 1.053 18046 2635 1 5 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.642 -0.492 18046 2636 1 5 . 1 1 44 44 ILE C C 44 175.190 175.190 175.552 -0.362 18046 2637 1 5 . 1 1 44 44 ILE CA C 44 60.500 60.500 59.989 0.511 18046 2638 1 5 . 1 1 44 44 ILE CB C 44 39.300 39.300 41.052 -1.752 18046 2639 1 5 . 1 1 44 44 ILE H H 44 8.359 8.359 7.860 0.499 18046 2640 1 5 . 1 1 45 45 GLY N N 45 119.260 119.260 112.744 6.516 18046 2641 1 5 . 1 1 45 45 GLY C C 45 176.163 176.163 174.435 1.728 18046 2642 1 5 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.337 2.263 18046 2643 1 5 . 1 1 45 45 GLY H H 45 7.603 7.603 8.145 -0.542 18046 2644 1 5 . 1 1 46 46 LYS N N 46 124.868 124.868 119.255 5.613 18046 2645 1 5 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.399 -0.329 18046 2646 1 5 . 1 1 46 46 LYS C C 46 177.700 177.700 177.423 0.277 18046 2647 1 5 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.482 1.718 18046 2648 1 5 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.208 -0.808 18046 2649 1 5 . 1 1 46 46 LYS H H 46 9.104 9.104 8.220 0.884 18046 2650 1 5 . 1 1 47 47 GLY N N 47 106.230 106.230 107.493 -1.263 18046 2651 1 5 . 1 1 47 47 GLY C C 47 175.326 175.326 174.033 1.293 18046 2652 1 5 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.279 -1.079 18046 2653 1 5 . 1 1 47 47 GLY H H 47 8.954 8.954 8.117 0.837 18046 2654 1 5 . 1 1 48 48 ALA N N 48 125.925 125.925 122.951 2.974 18046 2655 1 5 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.181 0.439 18046 2656 1 5 . 1 1 48 48 ALA C C 48 177.829 177.829 177.607 0.222 18046 2657 1 5 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.303 0.397 18046 2658 1 5 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.844 1.056 18046 2659 1 5 . 1 1 48 48 ALA H H 48 7.484 7.484 7.845 -0.361 18046 2660 1 5 . 1 1 49 49 ASN N N 49 119.683 119.683 123.189 -3.506 18046 2661 1 5 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.601 0.499 18046 2662 1 5 . 1 1 49 49 ASN C C 49 175.874 175.874 176.940 -1.066 18046 2663 1 5 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.691 -2.091 18046 2664 1 5 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.538 1.462 18046 2665 1 5 . 1 1 49 49 ASN H H 49 8.921 8.921 8.364 0.557 18046 2666 1 5 . 1 1 50 50 GLU N N 50 118.057 118.057 121.341 -3.284 18046 2667 1 5 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.085 -0.085 18046 2668 1 5 . 1 1 50 50 GLU C C 50 178.722 178.722 178.452 0.270 18046 2669 1 5 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.379 0.221 18046 2670 1 5 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.693 -0.093 18046 2671 1 5 . 1 1 50 50 GLU H H 50 8.828 8.828 8.989 -0.161 18046 2672 1 5 . 1 1 51 51 SER N N 51 115.397 115.397 114.936 0.461 18046 2673 1 5 . 1 1 51 51 SER HA H 51 4.350 4.350 4.147 0.203 18046 2674 1 5 . 1 1 51 51 SER C C 51 177.932 177.932 176.308 1.624 18046 2675 1 5 . 1 1 51 51 SER CA C 51 61.800 61.800 61.320 0.480 18046 2676 1 5 . 1 1 51 51 SER CB C 51 62.700 62.700 63.040 -0.340 18046 2677 1 5 . 1 1 51 51 SER H H 51 8.401 8.401 8.312 0.089 18046 2678 1 5 . 1 1 52 52 GLU N N 52 122.271 122.271 121.834 0.437 18046 2679 1 5 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.117 -0.017 18046 2680 1 5 . 1 1 52 52 GLU C C 52 177.665 177.665 178.457 -0.792 18046 2681 1 5 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.706 -0.506 18046 2682 1 5 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.989 -0.589 18046 2683 1 5 . 1 1 52 52 GLU H H 52 8.566 8.566 8.312 0.254 18046 2684 1 5 . 1 1 53 53 LYS N N 53 119.319 119.319 118.385 0.934 18046 2685 1 5 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.922 0.118 18046 2686 1 5 . 1 1 53 53 LYS C C 53 178.727 178.727 178.472 0.255 18046 2687 1 5 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.179 1.721 18046 2688 1 5 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.121 0.479 18046 2689 1 5 . 1 1 53 53 LYS H H 53 7.704 7.704 7.553 0.151 18046 2690 1 5 . 1 1 54 54 GLU N N 54 119.268 119.268 119.020 0.248 18046 2691 1 5 . 1 1 54 54 GLU HA H 54 4.060 4.060 3.993 0.067 18046 2692 1 5 . 1 1 54 54 GLU C C 54 179.211 179.211 178.283 0.928 18046 2693 1 5 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.011 0.489 18046 2694 1 5 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.588 0.312 18046 2695 1 5 . 1 1 54 54 GLU H H 54 8.173 8.173 7.270 0.903 18046 2696 1 5 . 1 1 55 55 ALA N N 55 121.311 121.311 121.923 -0.612 18046 2697 1 5 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.787 0.163 18046 2698 1 5 . 1 1 55 55 ALA C C 55 180.920 180.920 179.348 1.572 18046 2699 1 5 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.697 -0.197 18046 2700 1 5 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.169 -1.369 18046 2701 1 5 . 1 1 55 55 ALA H H 55 7.954 7.954 8.325 -0.371 18046 2702 1 5 . 1 1 56 56 ALA N N 56 123.395 123.395 119.479 3.916 18046 2703 1 5 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.169 -0.149 18046 2704 1 5 . 1 1 56 56 ALA C C 56 178.383 178.383 178.913 -0.530 18046 2705 1 5 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.597 0.803 18046 2706 1 5 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.366 1.234 18046 2707 1 5 . 1 1 56 56 ALA H H 56 8.393 8.393 8.122 0.271 18046 2708 1 5 . 1 1 57 57 ALA N N 57 120.754 120.754 120.804 -0.050 18046 2709 1 5 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.293 0.627 18046 2710 1 5 . 1 1 57 57 ALA C C 57 180.433 180.433 179.406 1.027 18046 2711 1 5 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.274 1.426 18046 2712 1 5 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.015 -0.314 18046 2713 1 5 . 1 1 57 57 ALA H H 57 7.690 7.690 7.211 0.479 18046 2714 1 5 . 1 1 58 58 GLU N N 58 118.337 118.337 118.523 -0.186 18046 2715 1 5 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.077 0.023 18046 2716 1 5 . 1 1 58 58 GLU C C 58 179.210 179.210 179.070 0.140 18046 2717 1 5 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.252 -0.052 18046 2718 1 5 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.860 -0.560 18046 2719 1 5 . 1 1 58 58 GLU H H 58 7.423 7.423 7.858 -0.435 18046 2720 1 5 . 1 1 59 59 THR N N 59 118.744 118.744 116.161 2.583 18046 2721 1 5 . 1 1 59 59 THR HA H 59 3.860 3.860 3.986 -0.126 18046 2722 1 5 . 1 1 59 59 THR C C 59 175.722 175.722 176.046 -0.324 18046 2723 1 5 . 1 1 59 59 THR CA C 59 67.420 67.420 66.210 1.210 18046 2724 1 5 . 1 1 59 59 THR CB C 59 68.590 68.590 68.758 -0.168 18046 2725 1 5 . 1 1 59 59 THR H H 59 8.354 8.354 8.421 -0.067 18046 2726 1 5 . 1 1 60 60 ALA N N 60 122.991 122.991 122.944 0.047 18046 2727 1 5 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.878 -0.148 18046 2728 1 5 . 1 1 60 60 ALA C C 60 178.155 178.155 179.400 -1.245 18046 2729 1 5 . 1 1 60 60 ALA CA C 60 55.700 55.700 55.025 0.675 18046 2730 1 5 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.338 -0.538 18046 2731 1 5 . 1 1 60 60 ALA H H 60 8.294 8.294 7.512 0.782 18046 2732 1 5 . 1 1 61 61 GLN N N 61 113.649 113.649 116.819 -3.170 18046 2733 1 5 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.949 0.042 18046 2734 1 5 . 1 1 61 61 GLN C C 61 178.640 178.640 178.166 0.474 18046 2735 1 5 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.829 -0.909 18046 2736 1 5 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.087 0.373 18046 2737 1 5 . 1 1 61 61 GLN H H 61 7.215 7.215 8.107 -0.892 18046 2738 1 5 . 1 1 62 62 GLU N N 62 120.684 120.684 118.514 2.170 18046 2739 1 5 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.031 0.009 18046 2740 1 5 . 1 1 62 62 GLU C C 62 179.047 179.047 178.944 0.103 18046 2741 1 5 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.310 -0.110 18046 2742 1 5 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.157 0.142 18046 2743 1 5 . 1 1 62 62 GLU H H 62 8.126 8.126 7.824 0.302 18046 2744 1 5 . 1 1 63 63 TYR N N 63 122.118 122.118 120.468 1.650 18046 2745 1 5 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.197 0.033 18046 2746 1 5 . 1 1 63 63 TYR C C 63 178.643 178.643 178.241 0.402 18046 2747 1 5 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.912 -0.812 18046 2748 1 5 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.608 -0.808 18046 2749 1 5 . 1 1 63 63 TYR H H 63 8.796 8.796 7.757 1.039 18046 2750 1 5 . 1 1 64 64 LEU N N 64 119.163 119.163 119.600 -0.437 18046 2751 1 5 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.968 -0.288 18046 2752 1 5 . 1 1 64 64 LEU C C 64 178.475 178.475 179.319 -0.844 18046 2753 1 5 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.101 -0.101 18046 2754 1 5 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.568 1.933 18046 2755 1 5 . 1 1 64 64 LEU H H 64 7.799 7.799 7.807 -0.008 18046 2756 1 5 . 1 1 65 65 ARG N N 65 116.868 116.868 115.421 1.447 18046 2757 1 5 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.051 0.019 18046 2758 1 5 . 1 1 65 65 ARG C C 65 177.464 177.464 177.166 0.298 18046 2759 1 5 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.118 0.482 18046 2760 1 5 . 1 1 65 65 ARG CB C 65 30.800 30.800 30.001 0.799 18046 2761 1 5 . 1 1 65 65 ARG H H 65 7.842 7.842 7.606 0.236 18046 2762 1 5 . 1 1 66 66 SER N N 66 112.527 112.527 112.801 -0.274 18046 2763 1 5 . 1 1 66 66 SER HA H 66 4.360 4.360 4.147 0.213 18046 2764 1 5 . 1 1 66 66 SER C C 66 174.087 174.087 174.730 -0.643 18046 2765 1 5 . 1 1 66 66 SER CA C 66 59.440 59.440 59.304 0.136 18046 2766 1 5 . 1 1 66 66 SER CB C 66 64.120 64.120 63.388 0.733 18046 2767 1 5 . 1 1 66 66 SER H H 66 7.907 7.907 7.608 0.299 18046 2768 1 5 . 1 1 67 67 HIS N N 67 123.090 123.090 122.553 0.537 18046 2769 1 5 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.824 -0.164 18046 2770 1 5 . 1 1 67 67 HIS CA C 67 55.400 55.400 53.196 2.204 18046 2771 1 5 . 1 1 67 67 HIS CB C 67 29.600 29.600 29.727 -0.128 18046 2772 1 5 . 1 1 67 67 HIS H H 67 7.515 7.515 7.287 0.228 18046 2773 1 5 . 1 1 68 68 PRO C C 68 176.365 176.365 176.957 -0.592 18046 2774 1 5 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.535 5.824 18046 2775 1 5 . 1 1 69 69 GLY N N 69 124.202 124.202 105.325 18.877 18046 2776 1 5 . 1 1 69 69 GLY C C 69 174.331 174.331 173.197 1.134 18046 2777 1 5 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.573 1.127 18046 2778 1 5 . 1 1 69 69 GLY H H 69 8.166 8.166 8.237 -0.071 18046 2779 1 5 . 1 1 70 70 SER N N 70 115.467 115.467 116.243 -0.776 18046 2780 1 5 . 1 1 70 70 SER HA H 70 4.450 4.450 4.558 -0.108 18046 2781 1 5 . 1 1 70 70 SER C C 70 174.329 174.329 175.627 -1.298 18046 2782 1 5 . 1 1 70 70 SER CA C 70 58.640 58.640 58.760 -0.120 18046 2783 1 5 . 1 1 70 70 SER CB C 70 63.040 63.040 64.382 -1.342 18046 2784 1 5 . 1 1 70 70 SER H H 70 8.280 8.280 8.850 -0.570 18046 2785 1 5 . 1 1 71 71 ARG N N 71 120.585 120.585 120.807 -0.222 18046 2786 1 5 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.584 -0.354 18046 2787 1 5 . 1 1 71 71 ARG C C 71 175.793 175.793 175.599 0.194 18046 2788 1 5 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.498 -0.398 18046 2789 1 5 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.438 0.962 18046 2790 1 5 . 1 1 71 71 ARG H H 71 8.341 8.341 8.357 -0.016 18046 2791 1 5 . 1 1 72 72 ASP N N 72 120.258 120.258 118.913 1.345 18046 2792 1 5 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.346 0.094 18046 2793 1 5 . 1 1 72 72 ASP C C 72 178.038 178.038 176.905 1.133 18046 2794 1 5 . 1 1 72 72 ASP CA C 72 54.530 54.530 57.170 -2.640 18046 2795 1 5 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.316 0.454 18046 2796 1 5 . 1 1 72 72 ASP H H 72 8.471 8.471 8.409 0.062 18046 2797 1 5 . 1 1 73 73 LEU N N 73 127.518 127.518 115.801 11.717 18046 2798 1 5 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.286 -0.196 18046 2799 1 5 . 1 1 73 73 LEU C C 73 177.417 177.417 177.283 0.134 18046 2800 1 5 . 1 1 73 73 LEU CA C 73 57.000 57.000 55.904 1.096 18046 2801 1 5 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.632 -1.632 18046 2802 1 5 . 1 1 73 73 LEU H H 73 8.826 8.826 7.746 1.080 18046 2803 1 5 . 1 1 74 74 ASP N N 74 117.787 117.787 117.500 0.287 18046 2804 1 5 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.506 0.234 18046 2805 1 5 . 1 1 74 74 ASP C C 74 175.765 175.765 176.737 -0.972 18046 2806 1 5 . 1 1 74 74 ASP CA C 74 53.900 53.900 55.981 -2.081 18046 2807 1 5 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.963 -0.493 18046 2808 1 5 . 1 1 74 74 ASP H H 74 8.480 8.480 8.061 0.419 18046 2809 1 5 . 1 1 75 75 THR N N 75 119.682 119.682 117.544 2.138 18046 2810 1 5 . 1 1 75 75 THR HA H 75 4.210 4.210 4.590 -0.380 18046 2811 1 5 . 1 1 75 75 THR CA C 75 62.440 62.440 61.227 1.213 18046 2812 1 5 . 1 1 75 75 THR CB C 75 70.940 70.940 69.066 1.874 18046 2813 1 5 . 1 1 75 75 THR H H 75 7.303 7.303 7.699 -0.396 18046 2814 1 5 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.439 -0.199 18046 2815 1 5 . 1 1 76 76 PRO C C 76 174.823 174.823 175.908 -1.085 18046 2816 1 5 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.503 1.097 18046 2817 1 5 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.366 0.734 18046 2818 1 5 . 1 1 77 77 ILE N N 77 121.906 121.906 121.077 0.829 18046 2819 1 5 . 1 1 77 77 ILE HA H 77 4.990 4.990 4.121 0.869 18046 2820 1 5 . 1 1 77 77 ILE C C 77 176.571 176.571 176.226 0.345 18046 2821 1 5 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.587 -1.087 18046 2822 1 5 . 1 1 77 77 ILE CB C 77 38.100 38.100 39.630 -1.530 18046 2823 1 5 . 1 1 77 77 ILE H H 77 8.052 8.052 8.190 -0.138 18046 2824 1 5 . 1 1 78 78 ILE N N 78 130.054 130.054 127.423 2.631 18046 2825 1 5 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.043 0.257 18046 2826 1 5 . 1 1 78 78 ILE C C 78 175.471 175.471 175.652 -0.181 18046 2827 1 5 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.590 -0.790 18046 2828 1 5 . 1 1 78 78 ILE CB C 78 39.300 39.300 36.261 3.039 18046 2829 1 5 . 1 1 78 78 ILE H H 78 8.977 8.977 8.203 0.774 18046 2830 1 5 . 1 1 79 79 VAL N N 79 130.072 130.072 127.981 2.091 18046 2831 1 5 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.927 0.763 18046 2832 1 5 . 1 1 79 79 VAL C C 79 176.024 176.024 175.891 0.133 18046 2833 1 5 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.501 0.399 18046 2834 1 5 . 1 1 79 79 VAL CB C 79 31.700 31.700 32.251 -0.551 18046 2835 1 5 . 1 1 79 79 VAL H H 79 8.872 8.872 7.889 0.983 18046 2836 1 5 . 1 1 80 80 VAL N N 80 129.055 129.055 126.967 2.088 18046 2837 1 5 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.308 0.112 18046 2838 1 5 . 1 1 80 80 VAL C C 80 173.028 173.028 174.677 -1.649 18046 2839 1 5 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.709 -0.709 18046 2840 1 5 . 1 1 80 80 VAL CB C 80 35.400 35.400 33.887 1.513 18046 2841 1 5 . 1 1 80 80 VAL H H 80 9.608 9.608 8.224 1.384 18046 2842 1 5 . 1 1 81 81 LYS N N 81 123.854 123.854 122.559 1.295 18046 2843 1 5 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.641 -0.471 18046 2844 1 5 . 1 1 81 81 LYS C C 81 175.225 175.225 175.714 -0.489 18046 2845 1 5 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.639 0.461 18046 2846 1 5 . 1 1 81 81 LYS CB C 81 34.200 34.200 35.390 -1.190 18046 2847 1 5 . 1 1 81 81 LYS H H 81 8.441 8.441 8.289 0.152 18046 2848 1 5 . 1 1 82 82 GLN N N 82 121.237 121.237 121.006 0.231 18046 2849 1 5 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.126 -0.166 18046 2850 1 5 . 1 1 82 82 GLN C C 82 177.016 177.016 176.541 0.475 18046 2851 1 5 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.757 -0.257 18046 2852 1 5 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.776 0.324 18046 2853 1 5 . 1 1 82 82 GLN H H 82 6.493 6.493 8.673 -2.180 18046 2854 1 5 . 1 1 83 83 GLY N N 83 118.629 118.629 114.091 4.538 18046 2855 1 5 . 1 1 83 83 GLY C C 83 174.491 174.491 172.870 1.621 18046 2856 1 5 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.374 1.026 18046 2857 1 5 . 1 1 83 83 GLY H H 83 10.072 10.072 8.385 1.687 18046 2858 1 5 . 1 1 84 84 PHE N N 84 120.834 120.834 119.773 1.061 18046 2859 1 5 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.624 0.286 18046 2860 1 5 . 1 1 84 84 PHE C C 84 177.056 177.056 174.308 2.748 18046 2861 1 5 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.350 -0.850 18046 2862 1 5 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.969 -2.269 18046 2863 1 5 . 1 1 84 84 PHE H H 84 8.431 8.431 7.293 1.138 18046 2864 1 5 . 1 1 85 85 GLU N N 85 125.174 125.174 126.022 -0.848 18046 2865 1 5 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.676 -0.566 18046 2866 1 5 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.591 4.289 18046 2867 1 5 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.390 -3.220 18046 2868 1 5 . 1 1 85 85 GLU H H 85 10.207 10.207 8.539 1.668 18046 2869 1 5 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.541 0.209 18046 2870 1 5 . 1 1 87 87 PRO C C 87 178.401 178.401 178.150 0.251 18046 2871 1 5 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.933 -0.433 18046 2872 1 5 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.980 -0.580 18046 2873 1 5 . 1 1 88 88 THR N N 88 107.088 107.088 112.105 -5.017 18046 2874 1 5 . 1 1 88 88 THR HA H 88 4.080 4.080 4.054 0.026 18046 2875 1 5 . 1 1 88 88 THR C C 88 174.325 174.325 175.622 -1.297 18046 2876 1 5 . 1 1 88 88 THR CA C 88 63.200 63.200 65.351 -2.151 18046 2877 1 5 . 1 1 88 88 THR CB C 88 68.300 68.300 68.447 -0.147 18046 2878 1 5 . 1 1 88 88 THR H H 88 7.316 7.316 8.269 -0.953 18046 2879 1 5 . 1 1 89 89 PHE N N 89 119.031 119.031 122.107 -3.076 18046 2880 1 5 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.957 -0.037 18046 2881 1 5 . 1 1 89 89 PHE C C 89 175.661 175.661 177.298 -1.637 18046 2882 1 5 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.888 -0.888 18046 2883 1 5 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.698 2.362 18046 2884 1 5 . 1 1 89 89 PHE H H 89 7.437 7.437 7.820 -0.383 18046 2885 1 5 . 1 1 90 90 THR N N 90 107.216 107.216 115.730 -8.514 18046 2886 1 5 . 1 1 90 90 THR HA H 90 3.210 3.210 3.214 -0.004 18046 2887 1 5 . 1 1 90 90 THR C C 90 177.340 177.340 176.715 0.625 18046 2888 1 5 . 1 1 90 90 THR CA C 90 65.000 65.000 67.242 -2.242 18046 2889 1 5 . 1 1 90 90 THR CB C 90 68.200 68.200 67.797 0.403 18046 2890 1 5 . 1 1 90 90 THR H H 90 7.675 7.675 7.897 -0.222 18046 2891 1 5 . 1 1 91 91 GLY N N 91 106.674 106.674 109.103 -2.429 18046 2892 1 5 . 1 1 91 91 GLY C C 91 174.591 174.591 174.597 -0.006 18046 2893 1 5 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.807 0.493 18046 2894 1 5 . 1 1 91 91 GLY H H 91 7.865 7.865 7.399 0.466 18046 2895 1 5 . 1 1 92 92 TRP N N 92 117.951 117.951 118.858 -0.907 18046 2896 1 5 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.289 0.201 18046 2897 1 5 . 1 1 92 92 TRP C C 92 174.042 174.042 176.458 -2.416 18046 2898 1 5 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.939 0.531 18046 2899 1 5 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.370 0.260 18046 2900 1 5 . 1 1 92 92 TRP H H 92 7.018 7.018 7.198 -0.180 18046 2901 1 5 . 1 1 93 93 PHE N N 93 118.863 118.863 116.025 2.838 18046 2902 1 5 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.239 0.371 18046 2903 1 5 . 1 1 93 93 PHE C C 93 175.872 175.872 177.055 -1.183 18046 2904 1 5 . 1 1 93 93 PHE CA C 93 56.900 56.900 57.049 -0.149 18046 2905 1 5 . 1 1 93 93 PHE CB C 93 40.800 40.800 39.838 0.962 18046 2906 1 5 . 1 1 93 93 PHE H H 93 7.956 7.956 7.650 0.306 18046 2907 1 5 . 1 1 94 94 MET N N 94 121.781 121.781 119.211 2.570 18046 2908 1 5 . 1 1 94 94 MET HA H 94 4.200 4.200 4.180 0.020 18046 2909 1 5 . 1 1 94 94 MET C C 94 175.794 175.794 176.000 -0.206 18046 2910 1 5 . 1 1 94 94 MET CA C 94 57.900 57.900 56.748 1.152 18046 2911 1 5 . 1 1 94 94 MET CB C 94 32.300 32.300 32.495 -0.195 18046 2912 1 5 . 1 1 94 94 MET H H 94 8.825 8.825 8.562 0.263 18046 2913 1 5 . 1 1 95 95 ALA N N 95 120.648 120.648 122.302 -1.654 18046 2914 1 5 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.416 0.024 18046 2915 1 5 . 1 1 95 95 ALA C C 95 175.600 175.600 176.578 -0.978 18046 2916 1 5 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.965 0.834 18046 2917 1 5 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.938 1.862 18046 2918 1 5 . 1 1 95 95 ALA H H 95 8.037 8.037 7.568 0.469 18046 2919 1 5 . 1 1 96 96 TRP N N 96 121.009 121.009 123.620 -2.611 18046 2920 1 5 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.351 -0.141 18046 2921 1 5 . 1 1 96 96 TRP C C 96 174.409 174.409 176.046 -1.637 18046 2922 1 5 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.747 0.053 18046 2923 1 5 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.911 0.589 18046 2924 1 5 . 1 1 96 96 TRP H H 96 8.481 8.481 8.383 0.098 18046 2925 1 5 . 1 1 97 97 ASP N N 97 128.963 128.963 121.094 7.869 18046 2926 1 5 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.090 0.000 18046 2927 1 5 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.907 -1.347 18046 2928 1 5 . 1 1 97 97 ASP CB C 97 42.530 42.530 42.817 -0.287 18046 2929 1 5 . 1 1 97 97 ASP H H 97 8.850 8.850 8.847 0.003 18046 2930 1 5 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.384 0.126 18046 2931 1 5 . 1 1 98 98 PRO C C 98 177.169 177.169 177.277 -0.108 18046 2932 1 5 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.045 0.155 18046 2933 1 5 . 1 1 98 98 PRO CB C 98 32.570 32.570 31.966 0.604 18046 2934 1 5 . 1 1 99 99 LEU N N 99 118.381 118.381 119.186 -0.805 18046 2935 1 5 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.452 0.078 18046 2936 1 5 . 1 1 99 99 LEU C C 99 177.338 177.338 178.150 -0.812 18046 2937 1 5 . 1 1 99 99 LEU CA C 99 54.550 54.550 55.001 -0.451 18046 2938 1 5 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.394 -0.644 18046 2939 1 5 . 1 1 99 99 LEU H H 99 8.372 8.372 7.601 0.771 18046 2940 1 5 . 1 1 100 100 CYS N N 100 119.396 119.396 119.000 0.396 18046 2941 1 5 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.317 -0.707 18046 2942 1 5 . 1 1 100 100 CYS C C 100 174.820 174.820 175.855 -1.035 18046 2943 1 5 . 1 1 100 100 CYS CA C 100 61.500 61.500 60.836 0.664 18046 2944 1 5 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.369 0.931 18046 2945 1 5 . 1 1 100 100 CYS H H 100 7.052 7.052 7.852 -0.800 18046 2946 1 5 . 1 1 101 101 TRP N N 101 115.737 115.737 121.114 -5.377 18046 2947 1 5 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.636 0.144 18046 2948 1 5 . 1 1 101 101 TRP C C 101 176.485 176.485 176.000 0.485 18046 2949 1 5 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.233 1.667 18046 2950 1 5 . 1 1 101 101 TRP CB C 101 28.100 28.100 28.144 -0.044 18046 2951 1 5 . 1 1 101 101 TRP H H 101 7.625 7.625 7.768 -0.143 18046 2952 1 5 . 1 1 102 102 SER N N 102 115.896 115.896 115.444 0.452 18046 2953 1 5 . 1 1 102 102 SER HA H 102 4.520 4.520 4.247 0.273 18046 2954 1 5 . 1 1 102 102 SER C C 102 174.333 174.333 175.716 -1.383 18046 2955 1 5 . 1 1 102 102 SER CA C 102 59.200 59.200 60.837 -1.637 18046 2956 1 5 . 1 1 102 102 SER CB C 102 64.100 64.100 63.001 1.099 18046 2957 1 5 . 1 1 102 102 SER H H 102 7.916 7.916 7.770 0.146 18046 2958 1 5 . 1 1 103 103 ASP N N 103 122.262 122.262 120.685 1.577 18046 2959 1 5 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.765 -0.105 18046 2960 1 5 . 1 1 103 103 ASP C C 103 176.129 176.129 178.361 -2.232 18046 2961 1 5 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.912 -1.212 18046 2962 1 5 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.225 -0.225 18046 2963 1 5 . 1 1 103 103 ASP H H 103 8.450 8.450 8.033 0.417 18046 2964 1 5 . 1 1 104 104 ARG N N 104 120.795 120.795 119.063 1.732 18046 2965 1 5 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.860 0.470 18046 2966 1 5 . 1 1 104 104 ARG C C 104 176.283 176.283 177.554 -1.271 18046 2967 1 5 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.246 -2.046 18046 2968 1 5 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.465 1.285 18046 2969 1 5 . 1 1 104 104 ARG H H 104 8.117 8.117 7.359 0.758 18046 2970 1 5 . 1 1 105 105 LYS N N 105 122.131 122.131 117.146 4.985 18046 2971 1 5 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.365 -0.020 18046 2972 1 5 . 1 1 105 105 LYS C C 105 176.284 176.284 176.808 -0.524 18046 2973 1 5 . 1 1 105 105 LYS CA C 105 56.300 56.300 56.344 -0.044 18046 2974 1 5 . 1 1 105 105 LYS CB C 105 33.100 33.100 33.124 -0.024 18046 2975 1 5 . 1 1 105 105 LYS H H 105 8.294 8.294 7.814 0.480 18046 2976 1 5 . 1 1 106 106 SER N N 106 116.993 116.993 115.018 1.975 18046 2977 1 5 . 1 1 106 106 SER HA H 106 4.470 4.470 4.357 0.113 18046 2978 1 5 . 1 1 106 106 SER CA C 106 58.300 58.300 58.961 -0.661 18046 2979 1 5 . 1 1 106 106 SER CB C 106 64.200 64.200 63.890 0.310 18046 2980 1 5 . 1 1 106 106 SER H H 106 8.235 8.235 7.680 0.555 18046 2981 1 6 . 1 1 2 2 ARG N N 2 117.203 117.203 118.085 -0.882 18046 2982 1 6 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.940 0.110 18046 2983 1 6 . 1 1 2 2 ARG C C 2 172.726 172.726 174.610 -1.884 18046 2984 1 6 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.451 0.749 18046 2985 1 6 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.433 -2.533 18046 2986 1 6 . 1 1 2 2 ARG H H 2 8.108 8.108 7.908 0.200 18046 2987 1 6 . 1 1 3 3 LEU N N 3 125.261 125.261 119.076 6.185 18046 2988 1 6 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.954 0.266 18046 2989 1 6 . 1 1 3 3 LEU C C 3 174.166 174.166 175.450 -1.284 18046 2990 1 6 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.145 -0.145 18046 2991 1 6 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.251 0.149 18046 2992 1 6 . 1 1 3 3 LEU H H 3 8.542 8.542 8.193 0.349 18046 2993 1 6 . 1 1 4 4 PHE N N 4 123.490 123.490 117.164 6.326 18046 2994 1 6 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.815 0.285 18046 2995 1 6 . 1 1 4 4 PHE C C 4 174.820 174.820 174.772 0.048 18046 2996 1 6 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.514 -1.224 18046 2997 1 6 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.795 0.555 18046 2998 1 6 . 1 1 4 4 PHE H H 4 9.591 9.591 8.724 0.867 18046 2999 1 6 . 1 1 5 5 GLU N N 5 125.718 125.718 124.356 1.362 18046 3000 1 6 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.926 -0.906 18046 3001 1 6 . 1 1 5 5 GLU C C 5 174.892 174.892 175.733 -0.841 18046 3002 1 6 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.313 -0.213 18046 3003 1 6 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.843 2.007 18046 3004 1 6 . 1 1 5 5 GLU H H 5 9.484 9.484 8.463 1.021 18046 3005 1 6 . 1 1 6 6 CYS N N 6 127.915 127.915 126.381 1.534 18046 3006 1 6 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.075 -0.055 18046 3007 1 6 . 1 1 6 6 CYS C C 6 172.378 172.378 173.854 -1.476 18046 3008 1 6 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.779 0.221 18046 3009 1 6 . 1 1 6 6 CYS CB C 6 29.300 29.300 29.514 -0.214 18046 3010 1 6 . 1 1 6 6 CYS H H 6 8.937 8.937 8.273 0.664 18046 3011 1 6 . 1 1 7 7 SER N N 7 113.574 113.574 118.199 -4.625 18046 3012 1 6 . 1 1 7 7 SER HA H 7 5.420 5.420 4.907 0.513 18046 3013 1 6 . 1 1 7 7 SER C C 7 175.632 175.632 172.966 2.666 18046 3014 1 6 . 1 1 7 7 SER CA C 7 55.400 55.400 56.206 -0.805 18046 3015 1 6 . 1 1 7 7 SER CB C 7 65.900 65.900 65.440 0.460 18046 3016 1 6 . 1 1 7 7 SER H H 7 7.873 7.873 8.209 -0.336 18046 3017 1 6 . 1 1 8 8 ASN N N 8 126.153 126.153 121.630 4.523 18046 3018 1 6 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.109 0.531 18046 3019 1 6 . 1 1 8 8 ASN C C 8 178.392 178.392 175.477 2.915 18046 3020 1 6 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.660 -1.159 18046 3021 1 6 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.114 -1.014 18046 3022 1 6 . 1 1 8 8 ASN H H 8 10.299 10.299 8.888 1.411 18046 3023 1 6 . 1 1 9 9 LYS N N 9 123.420 123.420 123.662 -0.242 18046 3024 1 6 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.156 0.074 18046 3025 1 6 . 1 1 9 9 LYS C C 9 177.891 177.891 177.317 0.574 18046 3026 1 6 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.166 0.634 18046 3027 1 6 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.944 -1.044 18046 3028 1 6 . 1 1 9 9 LYS H H 9 9.064 9.064 8.486 0.578 18046 3029 1 6 . 1 1 10 10 THR N N 10 110.292 110.292 108.196 2.096 18046 3030 1 6 . 1 1 10 10 THR HA H 10 4.480 4.480 4.479 0.001 18046 3031 1 6 . 1 1 10 10 THR C C 10 175.392 175.392 175.796 -0.404 18046 3032 1 6 . 1 1 10 10 THR CA C 10 63.100 63.100 62.385 0.715 18046 3033 1 6 . 1 1 10 10 THR CB C 10 70.100 70.100 70.081 0.019 18046 3034 1 6 . 1 1 10 10 THR H H 10 8.525 8.525 7.922 0.603 18046 3035 1 6 . 1 1 11 11 GLY N N 11 110.668 110.668 110.193 0.475 18046 3036 1 6 . 1 1 11 11 GLY C C 11 172.867 172.867 173.647 -0.780 18046 3037 1 6 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.115 -0.416 18046 3038 1 6 . 1 1 11 11 GLY H H 11 8.266 8.266 8.111 0.155 18046 3039 1 6 . 1 1 12 12 ARG N N 12 118.170 118.170 120.278 -2.108 18046 3040 1 6 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.706 -0.046 18046 3041 1 6 . 1 1 12 12 ARG C C 12 173.924 173.924 174.591 -0.667 18046 3042 1 6 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.740 -0.840 18046 3043 1 6 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.930 -0.130 18046 3044 1 6 . 1 1 12 12 ARG H H 12 7.538 7.538 7.831 -0.293 18046 3045 1 6 . 1 1 13 13 PHE N N 13 121.956 121.956 123.152 -1.196 18046 3046 1 6 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.614 -0.080 18046 3047 1 6 . 1 1 13 13 PHE C C 13 174.005 174.005 174.302 -0.297 18046 3048 1 6 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.540 1.960 18046 3049 1 6 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.925 -0.925 18046 3050 1 6 . 1 1 13 13 PHE H H 13 8.926 8.926 8.627 0.299 18046 3051 1 6 . 1 1 14 14 LEU N N 14 129.824 129.824 127.167 2.657 18046 3052 1 6 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.239 0.071 18046 3053 1 6 . 1 1 14 14 LEU C C 14 173.801 173.801 174.141 -0.340 18046 3054 1 6 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.899 1.301 18046 3055 1 6 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.066 1.534 18046 3056 1 6 . 1 1 14 14 LEU H H 14 8.114 8.114 7.328 0.786 18046 3057 1 6 . 1 1 15 15 ALA N N 15 125.201 125.201 125.661 -0.460 18046 3058 1 6 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.379 1.151 18046 3059 1 6 . 1 1 15 15 ALA C C 15 177.178 177.178 176.206 0.972 18046 3060 1 6 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.240 -1.440 18046 3061 1 6 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.537 0.263 18046 3062 1 6 . 1 1 15 15 ALA H H 15 8.234 8.234 8.198 0.036 18046 3063 1 6 . 1 1 16 16 THR N N 16 119.393 119.393 119.636 -0.243 18046 3064 1 6 . 1 1 16 16 THR HA H 16 4.654 4.654 4.481 0.173 18046 3065 1 6 . 1 1 16 16 THR C C 16 173.434 173.434 172.855 0.579 18046 3066 1 6 . 1 1 16 16 THR CA C 16 61.261 61.261 61.560 -0.299 18046 3067 1 6 . 1 1 16 16 THR CB C 16 71.500 71.500 71.648 -0.148 18046 3068 1 6 . 1 1 16 16 THR H H 16 9.149 9.149 8.032 1.117 18046 3069 1 6 . 1 1 17 17 GLU N N 17 128.928 128.928 125.548 3.380 18046 3070 1 6 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.430 -0.040 18046 3071 1 6 . 1 1 17 17 GLU C C 17 175.799 175.799 174.796 1.003 18046 3072 1 6 . 1 1 17 17 GLU CA C 17 56.800 56.800 55.498 1.302 18046 3073 1 6 . 1 1 17 17 GLU CB C 17 29.400 29.400 30.802 -1.402 18046 3074 1 6 . 1 1 17 17 GLU H H 17 9.269 9.269 8.600 0.669 18046 3075 1 6 . 1 1 18 18 ILE N N 18 129.185 129.185 126.237 2.948 18046 3076 1 6 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.062 0.328 18046 3077 1 6 . 1 1 18 18 ILE C C 18 176.202 176.202 174.736 1.466 18046 3078 1 6 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.521 1.179 18046 3079 1 6 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.925 -1.825 18046 3080 1 6 . 1 1 18 18 ILE H H 18 8.814 8.814 8.170 0.644 18046 3081 1 6 . 1 1 19 19 VAL N N 19 127.068 127.068 125.727 1.341 18046 3082 1 6 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.707 0.573 18046 3083 1 6 . 1 1 19 19 VAL C C 19 175.632 175.632 176.346 -0.714 18046 3084 1 6 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.923 -1.323 18046 3085 1 6 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.137 0.363 18046 3086 1 6 . 1 1 19 19 VAL H H 19 8.600 8.600 7.973 0.627 18046 3087 1 6 . 1 1 20 20 ASP N N 20 122.793 122.793 123.530 -0.737 18046 3088 1 6 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.117 0.173 18046 3089 1 6 . 1 1 20 20 ASP C C 20 175.742 175.742 175.198 0.544 18046 3090 1 6 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.355 -0.255 18046 3091 1 6 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.675 -0.675 18046 3092 1 6 . 1 1 20 20 ASP H H 20 9.037 9.037 8.304 0.733 18046 3093 1 6 . 1 1 21 21 PHE N N 21 113.443 113.443 123.360 -9.917 18046 3094 1 6 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.726 0.084 18046 3095 1 6 . 1 1 21 21 PHE C C 21 175.062 175.062 175.813 -0.751 18046 3096 1 6 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.528 0.672 18046 3097 1 6 . 1 1 21 21 PHE CB C 21 41.900 41.900 41.836 0.064 18046 3098 1 6 . 1 1 21 21 PHE H H 21 6.542 6.542 7.599 -1.057 18046 3099 1 6 . 1 1 22 22 THR N N 22 112.200 112.200 110.936 1.264 18046 3100 1 6 . 1 1 22 22 THR HA H 22 4.900 4.900 4.789 0.111 18046 3101 1 6 . 1 1 22 22 THR C C 22 175.307 175.307 175.744 -0.437 18046 3102 1 6 . 1 1 22 22 THR CA C 22 60.400 60.400 59.917 0.483 18046 3103 1 6 . 1 1 22 22 THR CB C 22 73.300 73.300 71.285 2.015 18046 3104 1 6 . 1 1 22 22 THR H H 22 9.640 9.640 7.925 1.715 18046 3105 1 6 . 1 1 23 23 GLN N N 23 122.406 122.406 120.114 2.292 18046 3106 1 6 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.074 -0.394 18046 3107 1 6 . 1 1 23 23 GLN C C 23 176.527 176.527 176.485 0.042 18046 3108 1 6 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.468 0.532 18046 3109 1 6 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.360 -0.760 18046 3110 1 6 . 1 1 23 23 GLN H H 23 9.766 9.766 8.515 1.251 18046 3111 1 6 . 1 1 24 24 ASP N N 24 114.153 114.153 119.558 -5.405 18046 3112 1 6 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.467 -0.367 18046 3113 1 6 . 1 1 24 24 ASP C C 24 176.528 176.528 177.526 -0.998 18046 3114 1 6 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.899 -0.999 18046 3115 1 6 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.499 0.261 18046 3116 1 6 . 1 1 24 24 ASP H H 24 7.760 7.760 7.831 -0.071 18046 3117 1 6 . 1 1 25 25 ASP N N 25 116.379 116.379 117.357 -0.978 18046 3118 1 6 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.783 -0.243 18046 3119 1 6 . 1 1 25 25 ASP C C 25 175.059 175.059 176.226 -1.167 18046 3120 1 6 . 1 1 25 25 ASP CA C 25 56.200 56.200 54.721 1.479 18046 3121 1 6 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.971 0.529 18046 3122 1 6 . 1 1 25 25 ASP H H 25 7.655 7.655 7.926 -0.271 18046 3123 1 6 . 1 1 26 26 LEU N N 26 118.095 118.095 122.698 -4.603 18046 3124 1 6 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.187 -0.907 18046 3125 1 6 . 1 1 26 26 LEU C C 26 174.177 174.177 176.361 -2.184 18046 3126 1 6 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.511 -1.611 18046 3127 1 6 . 1 1 26 26 LEU CB C 26 39.300 39.300 42.077 -2.777 18046 3128 1 6 . 1 1 26 26 LEU H H 26 7.309 7.309 7.174 0.135 18046 3129 1 6 . 1 1 27 27 ASP N N 27 127.757 127.757 126.256 1.501 18046 3130 1 6 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.625 0.175 18046 3131 1 6 . 1 1 27 27 ASP C C 27 177.178 177.178 177.191 -0.013 18046 3132 1 6 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.242 -0.743 18046 3133 1 6 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.831 1.669 18046 3134 1 6 . 1 1 27 27 ASP H H 27 8.612 8.612 8.382 0.230 18046 3135 1 6 . 1 1 28 28 GLU N N 28 124.674 124.674 119.914 4.760 18046 3136 1 6 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.164 0.226 18046 3137 1 6 . 1 1 28 28 GLU C C 28 175.019 175.019 176.267 -1.248 18046 3138 1 6 . 1 1 28 28 GLU CA C 28 57.700 57.700 59.287 -1.587 18046 3139 1 6 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.331 -0.731 18046 3140 1 6 . 1 1 28 28 GLU H H 28 8.632 8.632 8.843 -0.211 18046 3141 1 6 . 1 1 29 29 ASN N N 29 115.882 115.882 117.904 -2.022 18046 3142 1 6 . 1 1 29 29 ASN HA H 29 4.630 4.630 5.034 -0.404 18046 3143 1 6 . 1 1 29 29 ASN C C 29 175.382 175.382 173.553 1.829 18046 3144 1 6 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.865 -0.065 18046 3145 1 6 . 1 1 29 29 ASN CB C 29 40.000 40.000 40.172 -0.172 18046 3146 1 6 . 1 1 29 29 ASN H H 29 9.360 9.360 8.329 1.031 18046 3147 1 6 . 1 1 30 30 ASP N N 30 127.013 127.013 121.682 5.331 18046 3148 1 6 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.727 0.823 18046 3149 1 6 . 1 1 30 30 ASP C C 30 172.009 172.009 174.486 -2.477 18046 3150 1 6 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.267 0.933 18046 3151 1 6 . 1 1 30 30 ASP CB C 30 44.800 44.800 45.071 -0.271 18046 3152 1 6 . 1 1 30 30 ASP H H 30 8.710 8.710 7.946 0.764 18046 3153 1 6 . 1 1 31 31 VAL N N 31 112.784 112.784 120.496 -7.712 18046 3154 1 6 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.159 1.241 18046 3155 1 6 . 1 1 31 31 VAL C C 31 173.273 173.273 175.088 -1.815 18046 3156 1 6 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.014 -2.014 18046 3157 1 6 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.359 3.441 18046 3158 1 6 . 1 1 31 31 VAL H H 31 7.364 7.364 8.347 -0.983 18046 3159 1 6 . 1 1 32 32 TYR N N 32 120.917 120.917 126.251 -5.334 18046 3160 1 6 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.430 0.240 18046 3161 1 6 . 1 1 32 32 TYR C C 32 174.735 174.735 175.285 -0.550 18046 3162 1 6 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.216 1.584 18046 3163 1 6 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.212 1.888 18046 3164 1 6 . 1 1 32 32 TYR H H 32 9.698 9.698 7.876 1.822 18046 3165 1 6 . 1 1 33 33 LEU N N 33 119.790 119.790 120.403 -0.613 18046 3166 1 6 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.715 0.995 18046 3167 1 6 . 1 1 33 33 LEU C C 33 175.551 175.551 175.336 0.215 18046 3168 1 6 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.853 -2.373 18046 3169 1 6 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.931 -0.646 18046 3170 1 6 . 1 1 33 33 LEU H H 33 9.111 9.111 8.765 0.346 18046 3171 1 6 . 1 1 34 34 LEU N N 34 125.829 125.829 127.432 -1.603 18046 3172 1 6 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.248 0.162 18046 3173 1 6 . 1 1 34 34 LEU C C 34 174.819 174.819 174.954 -0.135 18046 3174 1 6 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.315 0.005 18046 3175 1 6 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.118 -0.538 18046 3176 1 6 . 1 1 34 34 LEU H H 34 9.847 9.847 8.323 1.524 18046 3177 1 6 . 1 1 35 35 ASP N N 35 126.739 126.739 128.670 -1.931 18046 3178 1 6 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.951 0.189 18046 3179 1 6 . 1 1 35 35 ASP C C 35 176.690 176.690 175.668 1.022 18046 3180 1 6 . 1 1 35 35 ASP CA C 35 53.600 53.600 54.556 -0.956 18046 3181 1 6 . 1 1 35 35 ASP CB C 35 42.200 42.200 40.749 1.451 18046 3182 1 6 . 1 1 35 35 ASP H H 35 9.740 9.740 8.628 1.112 18046 3183 1 6 . 1 1 36 36 THR N N 36 118.603 118.603 114.446 4.157 18046 3184 1 6 . 1 1 36 36 THR HA H 36 4.290 4.290 4.191 0.099 18046 3185 1 6 . 1 1 36 36 THR C C 36 175.471 175.471 174.538 0.933 18046 3186 1 6 . 1 1 36 36 THR CA C 36 60.800 60.800 59.621 1.179 18046 3187 1 6 . 1 1 36 36 THR CB C 36 68.500 68.500 70.336 -1.836 18046 3188 1 6 . 1 1 36 36 THR H H 36 8.596 8.596 7.710 0.886 18046 3189 1 6 . 1 1 37 37 TRP N N 37 122.021 122.021 122.108 -0.087 18046 3190 1 6 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.424 -0.374 18046 3191 1 6 . 1 1 37 37 TRP C C 37 177.341 177.341 177.549 -0.208 18046 3192 1 6 . 1 1 37 37 TRP CA C 37 61.800 61.800 58.914 2.886 18046 3193 1 6 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.391 -0.391 18046 3194 1 6 . 1 1 37 37 TRP H H 37 9.090 9.090 8.207 0.883 18046 3195 1 6 . 1 1 38 38 ASP N N 38 117.786 117.786 116.813 0.973 18046 3196 1 6 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.345 0.045 18046 3197 1 6 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.197 -0.197 18046 3198 1 6 . 1 1 38 38 ASP CB C 38 41.300 41.300 41.361 -0.061 18046 3199 1 6 . 1 1 38 38 ASP H H 38 8.676 8.676 8.192 0.484 18046 3200 1 6 . 1 1 39 39 GLN N N 39 110.693 110.693 114.495 -3.802 18046 3201 1 6 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.487 0.003 18046 3202 1 6 . 1 1 39 39 GLN C C 39 173.398 173.398 174.534 -1.136 18046 3203 1 6 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.389 -0.589 18046 3204 1 6 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.507 0.693 18046 3205 1 6 . 1 1 39 39 GLN H H 39 7.325 7.325 7.716 -0.391 18046 3206 1 6 . 1 1 40 40 ILE N N 40 120.287 120.287 122.266 -1.979 18046 3207 1 6 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.603 0.377 18046 3208 1 6 . 1 1 40 40 ILE C C 40 175.143 175.143 175.773 -0.630 18046 3209 1 6 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.945 -1.845 18046 3210 1 6 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.708 0.993 18046 3211 1 6 . 1 1 40 40 ILE H H 40 8.663 8.663 8.594 0.069 18046 3212 1 6 . 1 1 41 41 PHE N N 41 124.653 124.653 126.494 -1.841 18046 3213 1 6 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.875 0.615 18046 3214 1 6 . 1 1 41 41 PHE C C 41 174.167 174.167 175.275 -1.108 18046 3215 1 6 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.458 -0.058 18046 3216 1 6 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.323 1.877 18046 3217 1 6 . 1 1 41 41 PHE H H 41 9.555 9.555 9.305 0.250 18046 3218 1 6 . 1 1 42 42 PHE N N 42 128.681 128.681 125.304 3.377 18046 3219 1 6 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.955 0.625 18046 3220 1 6 . 1 1 42 42 PHE C C 42 172.940 172.940 174.859 -1.919 18046 3221 1 6 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.757 -1.057 18046 3222 1 6 . 1 1 42 42 PHE CB C 42 41.000 41.000 38.969 2.031 18046 3223 1 6 . 1 1 42 42 PHE H H 42 9.647 9.647 8.380 1.267 18046 3224 1 6 . 1 1 43 43 TRP N N 43 128.634 128.634 125.976 2.658 18046 3225 1 6 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.821 0.459 18046 3226 1 6 . 1 1 43 43 TRP C C 43 175.877 175.877 174.750 1.127 18046 3227 1 6 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.627 1.373 18046 3228 1 6 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.829 2.371 18046 3229 1 6 . 1 1 43 43 TRP H H 43 9.997 9.997 8.841 1.156 18046 3230 1 6 . 1 1 44 44 ILE N N 44 126.166 126.166 126.253 -0.087 18046 3231 1 6 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.478 -0.328 18046 3232 1 6 . 1 1 44 44 ILE C C 44 175.190 175.190 175.557 -0.367 18046 3233 1 6 . 1 1 44 44 ILE CA C 44 60.500 60.500 60.390 0.110 18046 3234 1 6 . 1 1 44 44 ILE CB C 44 39.300 39.300 39.116 0.184 18046 3235 1 6 . 1 1 44 44 ILE H H 44 8.359 8.359 7.849 0.510 18046 3236 1 6 . 1 1 45 45 GLY N N 45 119.260 119.260 113.935 5.325 18046 3237 1 6 . 1 1 45 45 GLY C C 45 176.163 176.163 174.192 1.971 18046 3238 1 6 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.798 1.802 18046 3239 1 6 . 1 1 45 45 GLY H H 45 7.603 7.603 8.144 -0.541 18046 3240 1 6 . 1 1 46 46 LYS N N 46 124.868 124.868 119.386 5.482 18046 3241 1 6 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.395 -0.325 18046 3242 1 6 . 1 1 46 46 LYS C C 46 177.700 177.700 177.566 0.134 18046 3243 1 6 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.825 1.375 18046 3244 1 6 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.212 -0.812 18046 3245 1 6 . 1 1 46 46 LYS H H 46 9.104 9.104 8.203 0.901 18046 3246 1 6 . 1 1 47 47 GLY N N 47 106.230 106.230 107.241 -1.011 18046 3247 1 6 . 1 1 47 47 GLY C C 47 175.326 175.326 174.140 1.186 18046 3248 1 6 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.159 -0.959 18046 3249 1 6 . 1 1 47 47 GLY H H 47 8.954 8.954 8.012 0.942 18046 3250 1 6 . 1 1 48 48 ALA N N 48 125.925 125.925 123.252 2.673 18046 3251 1 6 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.189 0.431 18046 3252 1 6 . 1 1 48 48 ALA C C 48 177.829 177.829 177.609 0.220 18046 3253 1 6 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.228 0.472 18046 3254 1 6 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.561 1.339 18046 3255 1 6 . 1 1 48 48 ALA H H 48 7.484 7.484 7.846 -0.362 18046 3256 1 6 . 1 1 49 49 ASN N N 49 119.683 119.683 123.848 -4.165 18046 3257 1 6 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.570 0.530 18046 3258 1 6 . 1 1 49 49 ASN C C 49 175.874 175.874 176.979 -1.105 18046 3259 1 6 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.666 -2.067 18046 3260 1 6 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.479 1.521 18046 3261 1 6 . 1 1 49 49 ASN H H 49 8.921 8.921 8.307 0.614 18046 3262 1 6 . 1 1 50 50 GLU N N 50 118.057 118.057 121.357 -3.300 18046 3263 1 6 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.114 -0.114 18046 3264 1 6 . 1 1 50 50 GLU C C 50 178.722 178.722 178.541 0.181 18046 3265 1 6 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.464 0.136 18046 3266 1 6 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.690 -0.090 18046 3267 1 6 . 1 1 50 50 GLU H H 50 8.828 8.828 9.010 -0.182 18046 3268 1 6 . 1 1 51 51 SER N N 51 115.397 115.397 115.163 0.234 18046 3269 1 6 . 1 1 51 51 SER HA H 51 4.350 4.350 4.157 0.193 18046 3270 1 6 . 1 1 51 51 SER C C 51 177.932 177.932 176.250 1.682 18046 3271 1 6 . 1 1 51 51 SER CA C 51 61.800 61.800 61.369 0.431 18046 3272 1 6 . 1 1 51 51 SER CB C 51 62.700 62.700 63.038 -0.338 18046 3273 1 6 . 1 1 51 51 SER H H 51 8.401 8.401 8.296 0.105 18046 3274 1 6 . 1 1 52 52 GLU N N 52 122.271 122.271 121.691 0.580 18046 3275 1 6 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.086 0.014 18046 3276 1 6 . 1 1 52 52 GLU C C 52 177.665 177.665 178.415 -0.750 18046 3277 1 6 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.654 -0.454 18046 3278 1 6 . 1 1 52 52 GLU CB C 52 28.400 28.400 29.026 -0.626 18046 3279 1 6 . 1 1 52 52 GLU H H 52 8.566 8.566 8.311 0.255 18046 3280 1 6 . 1 1 53 53 LYS N N 53 119.319 119.319 118.384 0.935 18046 3281 1 6 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.934 0.106 18046 3282 1 6 . 1 1 53 53 LYS C C 53 178.727 178.727 178.496 0.231 18046 3283 1 6 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.219 1.681 18046 3284 1 6 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.190 0.410 18046 3285 1 6 . 1 1 53 53 LYS H H 53 7.704 7.704 7.539 0.165 18046 3286 1 6 . 1 1 54 54 GLU N N 54 119.268 119.268 118.922 0.346 18046 3287 1 6 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.126 -0.066 18046 3288 1 6 . 1 1 54 54 GLU C C 54 179.211 179.211 178.332 0.879 18046 3289 1 6 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.035 0.465 18046 3290 1 6 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.701 0.199 18046 3291 1 6 . 1 1 54 54 GLU H H 54 8.173 8.173 7.311 0.862 18046 3292 1 6 . 1 1 55 55 ALA N N 55 121.311 121.311 121.955 -0.644 18046 3293 1 6 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.822 0.128 18046 3294 1 6 . 1 1 55 55 ALA C C 55 180.920 180.920 179.355 1.565 18046 3295 1 6 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.713 -0.213 18046 3296 1 6 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.162 -1.362 18046 3297 1 6 . 1 1 55 55 ALA H H 55 7.954 7.954 8.353 -0.399 18046 3298 1 6 . 1 1 56 56 ALA N N 56 123.395 123.395 119.473 3.922 18046 3299 1 6 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.163 -0.143 18046 3300 1 6 . 1 1 56 56 ALA C C 56 178.383 178.383 178.958 -0.575 18046 3301 1 6 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.603 0.797 18046 3302 1 6 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.323 1.277 18046 3303 1 6 . 1 1 56 56 ALA H H 56 8.393 8.393 8.129 0.264 18046 3304 1 6 . 1 1 57 57 ALA N N 57 120.754 120.754 120.767 -0.013 18046 3305 1 6 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.986 -0.066 18046 3306 1 6 . 1 1 57 57 ALA C C 57 180.433 180.433 179.955 0.478 18046 3307 1 6 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.742 0.958 18046 3308 1 6 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.373 -0.673 18046 3309 1 6 . 1 1 57 57 ALA H H 57 7.690 7.690 7.354 0.336 18046 3310 1 6 . 1 1 58 58 GLU N N 58 118.337 118.337 118.728 -0.391 18046 3311 1 6 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.113 -0.013 18046 3312 1 6 . 1 1 58 58 GLU C C 58 179.210 179.210 179.070 0.140 18046 3313 1 6 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.309 -0.109 18046 3314 1 6 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.792 -0.492 18046 3315 1 6 . 1 1 58 58 GLU H H 58 7.423 7.423 7.787 -0.364 18046 3316 1 6 . 1 1 59 59 THR N N 59 118.744 118.744 115.530 3.214 18046 3317 1 6 . 1 1 59 59 THR HA H 59 3.860 3.860 4.020 -0.160 18046 3318 1 6 . 1 1 59 59 THR C C 59 175.722 175.722 175.990 -0.268 18046 3319 1 6 . 1 1 59 59 THR CA C 59 67.420 67.420 66.271 1.149 18046 3320 1 6 . 1 1 59 59 THR CB C 59 68.590 68.590 68.396 0.194 18046 3321 1 6 . 1 1 59 59 THR H H 59 8.354 8.354 8.420 -0.066 18046 3322 1 6 . 1 1 60 60 ALA N N 60 122.991 122.991 122.560 0.431 18046 3323 1 6 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.747 -0.017 18046 3324 1 6 . 1 1 60 60 ALA C C 60 178.155 178.155 179.133 -0.978 18046 3325 1 6 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.767 0.933 18046 3326 1 6 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.022 -0.222 18046 3327 1 6 . 1 1 60 60 ALA H H 60 8.294 8.294 7.433 0.861 18046 3328 1 6 . 1 1 61 61 GLN N N 61 113.649 113.649 117.743 -4.094 18046 3329 1 6 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.941 0.049 18046 3330 1 6 . 1 1 61 61 GLN C C 61 178.640 178.640 178.498 0.142 18046 3331 1 6 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.325 -0.405 18046 3332 1 6 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.158 0.302 18046 3333 1 6 . 1 1 61 61 GLN H H 61 7.215 7.215 7.800 -0.585 18046 3334 1 6 . 1 1 62 62 GLU N N 62 120.684 120.684 118.540 2.144 18046 3335 1 6 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.025 0.015 18046 3336 1 6 . 1 1 62 62 GLU C C 62 179.047 179.047 178.411 0.636 18046 3337 1 6 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.061 0.139 18046 3338 1 6 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.491 -0.191 18046 3339 1 6 . 1 1 62 62 GLU H H 62 8.126 8.126 7.750 0.376 18046 3340 1 6 . 1 1 63 63 TYR N N 63 122.118 122.118 119.417 2.701 18046 3341 1 6 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.275 -0.045 18046 3342 1 6 . 1 1 63 63 TYR C C 63 178.643 178.643 177.504 1.139 18046 3343 1 6 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.787 -0.687 18046 3344 1 6 . 1 1 63 63 TYR CB C 63 37.800 37.800 39.021 -1.221 18046 3345 1 6 . 1 1 63 63 TYR H H 63 8.796 8.796 7.697 1.099 18046 3346 1 6 . 1 1 64 64 LEU N N 64 119.163 119.163 119.852 -0.689 18046 3347 1 6 . 1 1 64 64 LEU HA H 64 3.680 3.680 4.056 -0.376 18046 3348 1 6 . 1 1 64 64 LEU C C 64 178.475 178.475 179.285 -0.810 18046 3349 1 6 . 1 1 64 64 LEU CA C 64 58.000 58.000 57.952 0.048 18046 3350 1 6 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.352 2.147 18046 3351 1 6 . 1 1 64 64 LEU H H 64 7.799 7.799 7.864 -0.065 18046 3352 1 6 . 1 1 65 65 ARG N N 65 116.868 116.868 119.306 -2.438 18046 3353 1 6 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.010 0.060 18046 3354 1 6 . 1 1 65 65 ARG C C 65 177.464 177.464 178.041 -0.577 18046 3355 1 6 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.178 0.422 18046 3356 1 6 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.493 1.307 18046 3357 1 6 . 1 1 65 65 ARG H H 65 7.842 7.842 7.756 0.086 18046 3358 1 6 . 1 1 66 66 SER N N 66 112.527 112.527 114.281 -1.754 18046 3359 1 6 . 1 1 66 66 SER HA H 66 4.360 4.360 4.066 0.294 18046 3360 1 6 . 1 1 66 66 SER C C 66 174.087 174.087 174.764 -0.677 18046 3361 1 6 . 1 1 66 66 SER CA C 66 59.440 59.440 60.417 -0.977 18046 3362 1 6 . 1 1 66 66 SER CB C 66 64.120 64.120 63.444 0.676 18046 3363 1 6 . 1 1 66 66 SER H H 66 7.907 7.907 7.823 0.084 18046 3364 1 6 . 1 1 67 67 HIS N N 67 123.090 123.090 122.624 0.466 18046 3365 1 6 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.947 -0.287 18046 3366 1 6 . 1 1 67 67 HIS CA C 67 55.400 55.400 53.437 1.963 18046 3367 1 6 . 1 1 67 67 HIS CB C 67 29.600 29.600 30.437 -0.837 18046 3368 1 6 . 1 1 67 67 HIS H H 67 7.515 7.515 7.857 -0.342 18046 3369 1 6 . 1 1 68 68 PRO C C 68 176.365 176.365 176.916 -0.551 18046 3370 1 6 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.826 5.534 18046 3371 1 6 . 1 1 69 69 GLY N N 69 124.202 124.202 106.389 17.813 18046 3372 1 6 . 1 1 69 69 GLY C C 69 174.331 174.331 174.420 -0.089 18046 3373 1 6 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.513 1.187 18046 3374 1 6 . 1 1 69 69 GLY H H 69 8.166 8.166 8.067 0.099 18046 3375 1 6 . 1 1 70 70 SER N N 70 115.467 115.467 114.402 1.065 18046 3376 1 6 . 1 1 70 70 SER HA H 70 4.450 4.450 4.646 -0.196 18046 3377 1 6 . 1 1 70 70 SER C C 70 174.329 174.329 175.180 -0.851 18046 3378 1 6 . 1 1 70 70 SER CA C 70 58.640 58.640 58.927 -0.287 18046 3379 1 6 . 1 1 70 70 SER CB C 70 63.040 63.040 63.892 -0.852 18046 3380 1 6 . 1 1 70 70 SER H H 70 8.280 8.280 8.517 -0.237 18046 3381 1 6 . 1 1 71 71 ARG N N 71 120.585 120.585 120.640 -0.055 18046 3382 1 6 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.331 -0.101 18046 3383 1 6 . 1 1 71 71 ARG C C 71 175.793 175.793 175.432 0.361 18046 3384 1 6 . 1 1 71 71 ARG CA C 71 55.100 55.100 56.577 -1.476 18046 3385 1 6 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.193 1.207 18046 3386 1 6 . 1 1 71 71 ARG H H 71 8.341 8.341 8.071 0.270 18046 3387 1 6 . 1 1 72 72 ASP N N 72 120.258 120.258 116.961 3.297 18046 3388 1 6 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.760 -0.320 18046 3389 1 6 . 1 1 72 72 ASP C C 72 178.038 178.038 176.497 1.541 18046 3390 1 6 . 1 1 72 72 ASP CA C 72 54.530 54.530 55.007 -0.477 18046 3391 1 6 . 1 1 72 72 ASP CB C 72 40.770 40.770 41.958 -1.188 18046 3392 1 6 . 1 1 72 72 ASP H H 72 8.471 8.471 8.273 0.198 18046 3393 1 6 . 1 1 73 73 LEU N N 73 127.518 127.518 119.244 8.274 18046 3394 1 6 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.213 -0.123 18046 3395 1 6 . 1 1 73 73 LEU C C 73 177.417 177.417 177.950 -0.533 18046 3396 1 6 . 1 1 73 73 LEU CA C 73 57.000 57.000 56.940 0.060 18046 3397 1 6 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.631 -1.631 18046 3398 1 6 . 1 1 73 73 LEU H H 73 8.826 8.826 7.360 1.466 18046 3399 1 6 . 1 1 74 74 ASP N N 74 117.787 117.787 118.128 -0.341 18046 3400 1 6 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.474 0.266 18046 3401 1 6 . 1 1 74 74 ASP C C 74 175.765 175.765 176.353 -0.588 18046 3402 1 6 . 1 1 74 74 ASP CA C 74 53.900 53.900 56.068 -2.168 18046 3403 1 6 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.848 -0.378 18046 3404 1 6 . 1 1 74 74 ASP H H 74 8.480 8.480 8.254 0.226 18046 3405 1 6 . 1 1 75 75 THR N N 75 119.682 119.682 115.468 4.214 18046 3406 1 6 . 1 1 75 75 THR HA H 75 4.210 4.210 4.628 -0.418 18046 3407 1 6 . 1 1 75 75 THR CA C 75 62.440 62.440 59.212 3.228 18046 3408 1 6 . 1 1 75 75 THR CB C 75 70.940 70.940 69.502 1.438 18046 3409 1 6 . 1 1 75 75 THR H H 75 7.303 7.303 7.651 -0.348 18046 3410 1 6 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.419 -0.179 18046 3411 1 6 . 1 1 76 76 PRO C C 76 174.823 174.823 176.169 -1.346 18046 3412 1 6 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.257 1.343 18046 3413 1 6 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.322 0.778 18046 3414 1 6 . 1 1 77 77 ILE N N 77 121.906 121.906 119.331 2.575 18046 3415 1 6 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.742 1.248 18046 3416 1 6 . 1 1 77 77 ILE C C 77 176.571 176.571 176.669 -0.098 18046 3417 1 6 . 1 1 77 77 ILE CA C 77 59.500 59.500 61.387 -1.887 18046 3418 1 6 . 1 1 77 77 ILE CB C 77 38.100 38.100 38.344 -0.245 18046 3419 1 6 . 1 1 77 77 ILE H H 77 8.052 8.052 7.951 0.101 18046 3420 1 6 . 1 1 78 78 ILE N N 78 130.054 130.054 129.304 0.750 18046 3421 1 6 . 1 1 78 78 ILE HA H 78 4.300 4.300 3.973 0.327 18046 3422 1 6 . 1 1 78 78 ILE C C 78 175.471 175.471 175.238 0.233 18046 3423 1 6 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.860 -1.060 18046 3424 1 6 . 1 1 78 78 ILE CB C 78 39.300 39.300 37.130 2.170 18046 3425 1 6 . 1 1 78 78 ILE H H 78 8.977 8.977 8.206 0.771 18046 3426 1 6 . 1 1 79 79 VAL N N 79 130.072 130.072 128.745 1.327 18046 3427 1 6 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.981 0.709 18046 3428 1 6 . 1 1 79 79 VAL C C 79 176.024 176.024 176.109 -0.085 18046 3429 1 6 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.158 0.742 18046 3430 1 6 . 1 1 79 79 VAL CB C 79 31.700 31.700 32.135 -0.435 18046 3431 1 6 . 1 1 79 79 VAL H H 79 8.872 8.872 8.108 0.764 18046 3432 1 6 . 1 1 80 80 VAL N N 80 129.055 129.055 127.099 1.956 18046 3433 1 6 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.245 0.175 18046 3434 1 6 . 1 1 80 80 VAL C C 80 173.028 173.028 174.468 -1.440 18046 3435 1 6 . 1 1 80 80 VAL CA C 80 60.000 60.000 61.011 -1.011 18046 3436 1 6 . 1 1 80 80 VAL CB C 80 35.400 35.400 35.093 0.307 18046 3437 1 6 . 1 1 80 80 VAL H H 80 9.608 9.608 8.297 1.311 18046 3438 1 6 . 1 1 81 81 LYS N N 81 123.854 123.854 123.908 -0.054 18046 3439 1 6 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.621 -0.451 18046 3440 1 6 . 1 1 81 81 LYS C C 81 175.225 175.225 175.992 -0.767 18046 3441 1 6 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.836 0.264 18046 3442 1 6 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.658 -0.459 18046 3443 1 6 . 1 1 81 81 LYS H H 81 8.441 8.441 8.348 0.093 18046 3444 1 6 . 1 1 82 82 GLN N N 82 121.237 121.237 120.836 0.401 18046 3445 1 6 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.101 -0.141 18046 3446 1 6 . 1 1 82 82 GLN C C 82 177.016 177.016 176.488 0.528 18046 3447 1 6 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.705 -0.204 18046 3448 1 6 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.812 0.288 18046 3449 1 6 . 1 1 82 82 GLN H H 82 6.493 6.493 8.640 -2.147 18046 3450 1 6 . 1 1 83 83 GLY N N 83 118.629 118.629 114.019 4.610 18046 3451 1 6 . 1 1 83 83 GLY C C 83 174.491 174.491 172.902 1.589 18046 3452 1 6 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.361 1.039 18046 3453 1 6 . 1 1 83 83 GLY H H 83 10.072 10.072 8.384 1.688 18046 3454 1 6 . 1 1 84 84 PHE N N 84 120.834 120.834 120.147 0.687 18046 3455 1 6 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.625 0.285 18046 3456 1 6 . 1 1 84 84 PHE C C 84 177.056 177.056 174.292 2.764 18046 3457 1 6 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.259 -0.759 18046 3458 1 6 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.879 -2.179 18046 3459 1 6 . 1 1 84 84 PHE H H 84 8.431 8.431 7.249 1.182 18046 3460 1 6 . 1 1 85 85 GLU N N 85 125.174 125.174 125.186 -0.012 18046 3461 1 6 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.826 -0.716 18046 3462 1 6 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.662 4.218 18046 3463 1 6 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.476 -3.305 18046 3464 1 6 . 1 1 85 85 GLU H H 85 10.207 10.207 8.541 1.666 18046 3465 1 6 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.471 0.279 18046 3466 1 6 . 1 1 87 87 PRO C C 87 178.401 178.401 177.988 0.413 18046 3467 1 6 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.931 -0.431 18046 3468 1 6 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.911 -0.511 18046 3469 1 6 . 1 1 88 88 THR N N 88 107.088 107.088 112.376 -5.288 18046 3470 1 6 . 1 1 88 88 THR HA H 88 4.080 4.080 4.016 0.064 18046 3471 1 6 . 1 1 88 88 THR C C 88 174.325 174.325 175.688 -1.363 18046 3472 1 6 . 1 1 88 88 THR CA C 88 63.200 63.200 65.021 -1.821 18046 3473 1 6 . 1 1 88 88 THR CB C 88 68.300 68.300 68.126 0.174 18046 3474 1 6 . 1 1 88 88 THR H H 88 7.316 7.316 8.135 -0.819 18046 3475 1 6 . 1 1 89 89 PHE N N 89 119.031 119.031 122.249 -3.218 18046 3476 1 6 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.931 -0.011 18046 3477 1 6 . 1 1 89 89 PHE C C 89 175.661 175.661 177.239 -1.578 18046 3478 1 6 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.789 -0.789 18046 3479 1 6 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.677 2.383 18046 3480 1 6 . 1 1 89 89 PHE H H 89 7.437 7.437 7.816 -0.379 18046 3481 1 6 . 1 1 90 90 THR N N 90 107.216 107.216 116.678 -9.462 18046 3482 1 6 . 1 1 90 90 THR HA H 90 3.210 3.210 3.241 -0.031 18046 3483 1 6 . 1 1 90 90 THR C C 90 177.340 177.340 177.013 0.327 18046 3484 1 6 . 1 1 90 90 THR CA C 90 65.000 65.000 67.221 -2.221 18046 3485 1 6 . 1 1 90 90 THR CB C 90 68.200 68.200 67.744 0.456 18046 3486 1 6 . 1 1 90 90 THR H H 90 7.675 7.675 7.937 -0.262 18046 3487 1 6 . 1 1 91 91 GLY N N 91 106.674 106.674 109.006 -2.332 18046 3488 1 6 . 1 1 91 91 GLY C C 91 174.591 174.591 174.733 -0.142 18046 3489 1 6 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.718 0.582 18046 3490 1 6 . 1 1 91 91 GLY H H 91 7.865 7.865 7.460 0.405 18046 3491 1 6 . 1 1 92 92 TRP N N 92 117.951 117.951 118.805 -0.854 18046 3492 1 6 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.301 0.189 18046 3493 1 6 . 1 1 92 92 TRP C C 92 174.042 174.042 176.433 -2.391 18046 3494 1 6 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.970 0.500 18046 3495 1 6 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.365 0.265 18046 3496 1 6 . 1 1 92 92 TRP H H 92 7.018 7.018 7.180 -0.162 18046 3497 1 6 . 1 1 93 93 PHE N N 93 118.863 118.863 115.798 3.065 18046 3498 1 6 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.200 0.410 18046 3499 1 6 . 1 1 93 93 PHE C C 93 175.872 175.872 176.906 -1.034 18046 3500 1 6 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.922 -0.022 18046 3501 1 6 . 1 1 93 93 PHE CB C 93 40.800 40.800 39.968 0.832 18046 3502 1 6 . 1 1 93 93 PHE H H 93 7.956 7.956 7.612 0.344 18046 3503 1 6 . 1 1 94 94 MET N N 94 121.781 121.781 118.914 2.867 18046 3504 1 6 . 1 1 94 94 MET HA H 94 4.200 4.200 4.156 0.044 18046 3505 1 6 . 1 1 94 94 MET C C 94 175.794 175.794 175.952 -0.158 18046 3506 1 6 . 1 1 94 94 MET CA C 94 57.900 57.900 56.792 1.108 18046 3507 1 6 . 1 1 94 94 MET CB C 94 32.300 32.300 32.524 -0.224 18046 3508 1 6 . 1 1 94 94 MET H H 94 8.825 8.825 8.615 0.210 18046 3509 1 6 . 1 1 95 95 ALA N N 95 120.648 120.648 122.257 -1.609 18046 3510 1 6 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.417 0.023 18046 3511 1 6 . 1 1 95 95 ALA C C 95 175.600 175.600 176.560 -0.960 18046 3512 1 6 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.926 0.874 18046 3513 1 6 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.911 1.889 18046 3514 1 6 . 1 1 95 95 ALA H H 95 8.037 8.037 7.555 0.482 18046 3515 1 6 . 1 1 96 96 TRP N N 96 121.009 121.009 123.658 -2.649 18046 3516 1 6 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.368 -0.158 18046 3517 1 6 . 1 1 96 96 TRP C C 96 174.409 174.409 176.097 -1.688 18046 3518 1 6 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.778 0.022 18046 3519 1 6 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.942 0.558 18046 3520 1 6 . 1 1 96 96 TRP H H 96 8.481 8.481 8.390 0.091 18046 3521 1 6 . 1 1 97 97 ASP N N 97 128.963 128.963 120.823 8.140 18046 3522 1 6 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.149 -0.059 18046 3523 1 6 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.829 -1.269 18046 3524 1 6 . 1 1 97 97 ASP CB C 97 42.530 42.530 43.392 -0.862 18046 3525 1 6 . 1 1 97 97 ASP H H 97 8.850 8.850 8.907 -0.057 18046 3526 1 6 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.530 -0.020 18046 3527 1 6 . 1 1 98 98 PRO C C 98 177.169 177.169 177.291 -0.122 18046 3528 1 6 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.288 -0.088 18046 3529 1 6 . 1 1 98 98 PRO CB C 98 32.570 32.570 32.020 0.550 18046 3530 1 6 . 1 1 99 99 LEU N N 99 118.381 118.381 119.408 -1.027 18046 3531 1 6 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.517 0.013 18046 3532 1 6 . 1 1 99 99 LEU C C 99 177.338 177.338 178.149 -0.811 18046 3533 1 6 . 1 1 99 99 LEU CA C 99 54.550 54.550 55.467 -0.917 18046 3534 1 6 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.389 -0.639 18046 3535 1 6 . 1 1 99 99 LEU H H 99 8.372 8.372 7.685 0.687 18046 3536 1 6 . 1 1 100 100 CYS N N 100 119.396 119.396 119.186 0.210 18046 3537 1 6 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.215 -0.605 18046 3538 1 6 . 1 1 100 100 CYS C C 100 174.820 174.820 175.268 -0.448 18046 3539 1 6 . 1 1 100 100 CYS CA C 100 61.500 61.500 61.778 -0.278 18046 3540 1 6 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.425 0.875 18046 3541 1 6 . 1 1 100 100 CYS H H 100 7.052 7.052 7.999 -0.947 18046 3542 1 6 . 1 1 101 101 TRP N N 101 115.737 115.737 120.621 -4.884 18046 3543 1 6 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.604 0.176 18046 3544 1 6 . 1 1 101 101 TRP C C 101 176.485 176.485 176.364 0.121 18046 3545 1 6 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.594 1.306 18046 3546 1 6 . 1 1 101 101 TRP CB C 101 28.100 28.100 28.971 -0.871 18046 3547 1 6 . 1 1 101 101 TRP H H 101 7.625 7.625 7.931 -0.306 18046 3548 1 6 . 1 1 102 102 SER N N 102 115.896 115.896 115.384 0.512 18046 3549 1 6 . 1 1 102 102 SER HA H 102 4.520 4.520 4.286 0.234 18046 3550 1 6 . 1 1 102 102 SER C C 102 174.333 174.333 175.596 -1.263 18046 3551 1 6 . 1 1 102 102 SER CA C 102 59.200 59.200 60.683 -1.483 18046 3552 1 6 . 1 1 102 102 SER CB C 102 64.100 64.100 63.017 1.083 18046 3553 1 6 . 1 1 102 102 SER H H 102 7.916 7.916 7.741 0.175 18046 3554 1 6 . 1 1 103 103 ASP N N 103 122.262 122.262 121.712 0.550 18046 3555 1 6 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.749 -0.089 18046 3556 1 6 . 1 1 103 103 ASP C C 103 176.129 176.129 178.418 -2.289 18046 3557 1 6 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.928 -1.228 18046 3558 1 6 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.114 -0.114 18046 3559 1 6 . 1 1 103 103 ASP H H 103 8.450 8.450 7.985 0.465 18046 3560 1 6 . 1 1 104 104 ARG N N 104 120.795 120.795 119.678 1.117 18046 3561 1 6 . 1 1 104 104 ARG HA H 104 4.330 4.330 4.106 0.224 18046 3562 1 6 . 1 1 104 104 ARG C C 104 176.283 176.283 177.771 -1.488 18046 3563 1 6 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.387 -2.187 18046 3564 1 6 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.891 0.859 18046 3565 1 6 . 1 1 104 104 ARG H H 104 8.117 8.117 7.645 0.472 18046 3566 1 6 . 1 1 105 105 LYS N N 105 122.131 122.131 117.689 4.442 18046 3567 1 6 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.416 -0.071 18046 3568 1 6 . 1 1 105 105 LYS C C 105 176.284 176.284 176.690 -0.406 18046 3569 1 6 . 1 1 105 105 LYS CA C 105 56.300 56.300 56.534 -0.234 18046 3570 1 6 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.801 0.299 18046 3571 1 6 . 1 1 105 105 LYS H H 105 8.294 8.294 8.035 0.259 18046 3572 1 6 . 1 1 106 106 SER N N 106 116.993 116.993 114.834 2.159 18046 3573 1 6 . 1 1 106 106 SER HA H 106 4.470 4.470 4.494 -0.024 18046 3574 1 6 . 1 1 106 106 SER CA C 106 58.300 58.300 58.566 -0.266 18046 3575 1 6 . 1 1 106 106 SER CB C 106 64.200 64.200 64.727 -0.527 18046 3576 1 6 . 1 1 106 106 SER H H 106 8.235 8.235 7.702 0.533 18046 3577 1 7 . 1 1 2 2 ARG N N 2 117.203 117.203 118.169 -0.966 18046 3578 1 7 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.977 0.073 18046 3579 1 7 . 1 1 2 2 ARG C C 2 172.726 172.726 174.529 -1.803 18046 3580 1 7 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.462 0.738 18046 3581 1 7 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.558 -2.658 18046 3582 1 7 . 1 1 2 2 ARG H H 2 8.108 8.108 7.853 0.255 18046 3583 1 7 . 1 1 3 3 LEU N N 3 125.261 125.261 119.233 6.028 18046 3584 1 7 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.947 0.273 18046 3585 1 7 . 1 1 3 3 LEU C C 3 174.166 174.166 175.371 -1.205 18046 3586 1 7 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.156 -0.155 18046 3587 1 7 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.326 0.074 18046 3588 1 7 . 1 1 3 3 LEU H H 3 8.542 8.542 8.170 0.372 18046 3589 1 7 . 1 1 4 4 PHE N N 4 123.490 123.490 116.429 7.061 18046 3590 1 7 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.756 0.344 18046 3591 1 7 . 1 1 4 4 PHE C C 4 174.820 174.820 174.430 0.390 18046 3592 1 7 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.287 -0.997 18046 3593 1 7 . 1 1 4 4 PHE CB C 4 41.350 41.350 41.077 0.273 18046 3594 1 7 . 1 1 4 4 PHE H H 4 9.591 9.591 8.657 0.934 18046 3595 1 7 . 1 1 5 5 GLU N N 5 125.718 125.718 125.184 0.534 18046 3596 1 7 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.736 -0.716 18046 3597 1 7 . 1 1 5 5 GLU C C 5 174.892 174.892 175.861 -0.969 18046 3598 1 7 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.260 -0.160 18046 3599 1 7 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.092 2.758 18046 3600 1 7 . 1 1 5 5 GLU H H 5 9.484 9.484 8.559 0.925 18046 3601 1 7 . 1 1 6 6 CYS N N 6 127.915 127.915 126.279 1.636 18046 3602 1 7 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.049 -0.029 18046 3603 1 7 . 1 1 6 6 CYS C C 6 172.378 172.378 173.886 -1.508 18046 3604 1 7 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.441 0.559 18046 3605 1 7 . 1 1 6 6 CYS CB C 6 29.300 29.300 29.198 0.102 18046 3606 1 7 . 1 1 6 6 CYS H H 6 8.937 8.937 8.336 0.601 18046 3607 1 7 . 1 1 7 7 SER N N 7 113.574 113.574 118.463 -4.889 18046 3608 1 7 . 1 1 7 7 SER HA H 7 5.420 5.420 4.915 0.505 18046 3609 1 7 . 1 1 7 7 SER C C 7 175.632 175.632 173.036 2.596 18046 3610 1 7 . 1 1 7 7 SER CA C 7 55.400 55.400 56.777 -1.377 18046 3611 1 7 . 1 1 7 7 SER CB C 7 65.900 65.900 66.088 -0.188 18046 3612 1 7 . 1 1 7 7 SER H H 7 7.873 7.873 8.193 -0.320 18046 3613 1 7 . 1 1 8 8 ASN N N 8 126.153 126.153 121.545 4.608 18046 3614 1 7 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.116 0.524 18046 3615 1 7 . 1 1 8 8 ASN C C 8 178.392 178.392 175.687 2.705 18046 3616 1 7 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.780 -1.280 18046 3617 1 7 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.072 -0.972 18046 3618 1 7 . 1 1 8 8 ASN H H 8 10.299 10.299 8.581 1.718 18046 3619 1 7 . 1 1 9 9 LYS N N 9 123.420 123.420 123.698 -0.278 18046 3620 1 7 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.165 0.065 18046 3621 1 7 . 1 1 9 9 LYS C C 9 177.891 177.891 177.347 0.544 18046 3622 1 7 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.163 0.637 18046 3623 1 7 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.903 -1.003 18046 3624 1 7 . 1 1 9 9 LYS H H 9 9.064 9.064 8.494 0.570 18046 3625 1 7 . 1 1 10 10 THR N N 10 110.292 110.292 108.338 1.954 18046 3626 1 7 . 1 1 10 10 THR HA H 10 4.480 4.480 4.480 0.000 18046 3627 1 7 . 1 1 10 10 THR C C 10 175.392 175.392 175.805 -0.413 18046 3628 1 7 . 1 1 10 10 THR CA C 10 63.100 63.100 62.386 0.714 18046 3629 1 7 . 1 1 10 10 THR CB C 10 70.100 70.100 70.029 0.071 18046 3630 1 7 . 1 1 10 10 THR H H 10 8.525 8.525 7.917 0.608 18046 3631 1 7 . 1 1 11 11 GLY N N 11 110.668 110.668 110.188 0.480 18046 3632 1 7 . 1 1 11 11 GLY C C 11 172.867 172.867 173.673 -0.806 18046 3633 1 7 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.110 -0.410 18046 3634 1 7 . 1 1 11 11 GLY H H 11 8.266 8.266 8.115 0.151 18046 3635 1 7 . 1 1 12 12 ARG N N 12 118.170 118.170 120.307 -2.137 18046 3636 1 7 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.712 -0.052 18046 3637 1 7 . 1 1 12 12 ARG C C 12 173.924 173.924 174.585 -0.661 18046 3638 1 7 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.741 -0.841 18046 3639 1 7 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.927 -0.127 18046 3640 1 7 . 1 1 12 12 ARG H H 12 7.538 7.538 7.843 -0.305 18046 3641 1 7 . 1 1 13 13 PHE N N 13 121.956 121.956 123.076 -1.120 18046 3642 1 7 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.630 -0.096 18046 3643 1 7 . 1 1 13 13 PHE C C 13 174.005 174.005 174.305 -0.300 18046 3644 1 7 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.494 2.006 18046 3645 1 7 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.956 -0.956 18046 3646 1 7 . 1 1 13 13 PHE H H 13 8.926 8.926 8.633 0.293 18046 3647 1 7 . 1 1 14 14 LEU N N 14 129.824 129.824 127.206 2.618 18046 3648 1 7 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.241 0.069 18046 3649 1 7 . 1 1 14 14 LEU C C 14 173.801 173.801 174.168 -0.367 18046 3650 1 7 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.866 1.334 18046 3651 1 7 . 1 1 14 14 LEU CB C 14 46.600 46.600 44.962 1.638 18046 3652 1 7 . 1 1 14 14 LEU H H 14 8.114 8.114 7.352 0.762 18046 3653 1 7 . 1 1 15 15 ALA N N 15 125.201 125.201 125.465 -0.264 18046 3654 1 7 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.392 1.138 18046 3655 1 7 . 1 1 15 15 ALA C C 15 177.178 177.178 176.556 0.622 18046 3656 1 7 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.348 -1.548 18046 3657 1 7 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.208 0.592 18046 3658 1 7 . 1 1 15 15 ALA H H 15 8.234 8.234 8.189 0.045 18046 3659 1 7 . 1 1 16 16 THR N N 16 119.393 119.393 119.061 0.332 18046 3660 1 7 . 1 1 16 16 THR HA H 16 4.654 4.654 4.538 0.116 18046 3661 1 7 . 1 1 16 16 THR C C 16 173.434 173.434 172.394 1.040 18046 3662 1 7 . 1 1 16 16 THR CA C 16 61.261 61.261 60.896 0.365 18046 3663 1 7 . 1 1 16 16 THR CB C 16 71.500 71.500 71.609 -0.109 18046 3664 1 7 . 1 1 16 16 THR H H 16 9.149 9.149 7.986 1.163 18046 3665 1 7 . 1 1 17 17 GLU N N 17 128.928 128.928 123.137 5.791 18046 3666 1 7 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.449 -0.059 18046 3667 1 7 . 1 1 17 17 GLU C C 17 175.799 175.799 175.003 0.796 18046 3668 1 7 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.839 1.962 18046 3669 1 7 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.925 -2.525 18046 3670 1 7 . 1 1 17 17 GLU H H 17 9.269 9.269 8.525 0.744 18046 3671 1 7 . 1 1 18 18 ILE N N 18 129.185 129.185 125.944 3.241 18046 3672 1 7 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.077 0.313 18046 3673 1 7 . 1 1 18 18 ILE C C 18 176.202 176.202 174.621 1.581 18046 3674 1 7 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.581 1.119 18046 3675 1 7 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.711 -1.611 18046 3676 1 7 . 1 1 18 18 ILE H H 18 8.814 8.814 8.280 0.534 18046 3677 1 7 . 1 1 19 19 VAL N N 19 127.068 127.068 126.384 0.684 18046 3678 1 7 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.657 0.623 18046 3679 1 7 . 1 1 19 19 VAL C C 19 175.632 175.632 175.725 -0.093 18046 3680 1 7 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.745 -1.145 18046 3681 1 7 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.343 0.157 18046 3682 1 7 . 1 1 19 19 VAL H H 19 8.600 8.600 8.096 0.504 18046 3683 1 7 . 1 1 20 20 ASP N N 20 122.793 122.793 123.365 -0.572 18046 3684 1 7 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.127 0.163 18046 3685 1 7 . 1 1 20 20 ASP C C 20 175.742 175.742 175.224 0.518 18046 3686 1 7 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.346 -0.246 18046 3687 1 7 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.845 -0.845 18046 3688 1 7 . 1 1 20 20 ASP H H 20 9.037 9.037 8.266 0.771 18046 3689 1 7 . 1 1 21 21 PHE N N 21 113.443 113.443 123.597 -10.154 18046 3690 1 7 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.672 0.138 18046 3691 1 7 . 1 1 21 21 PHE C C 21 175.062 175.062 175.293 -0.231 18046 3692 1 7 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.247 0.953 18046 3693 1 7 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.267 -0.367 18046 3694 1 7 . 1 1 21 21 PHE H H 21 6.542 6.542 7.546 -1.004 18046 3695 1 7 . 1 1 22 22 THR N N 22 112.200 112.200 112.155 0.045 18046 3696 1 7 . 1 1 22 22 THR HA H 22 4.900 4.900 4.882 0.018 18046 3697 1 7 . 1 1 22 22 THR C C 22 175.307 175.307 175.656 -0.349 18046 3698 1 7 . 1 1 22 22 THR CA C 22 60.400 60.400 60.593 -0.193 18046 3699 1 7 . 1 1 22 22 THR CB C 22 73.300 73.300 71.033 2.267 18046 3700 1 7 . 1 1 22 22 THR H H 22 9.640 9.640 8.121 1.519 18046 3701 1 7 . 1 1 23 23 GLN N N 23 122.406 122.406 118.703 3.703 18046 3702 1 7 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.138 -0.458 18046 3703 1 7 . 1 1 23 23 GLN C C 23 176.527 176.527 177.350 -0.823 18046 3704 1 7 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.633 0.367 18046 3705 1 7 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.445 -0.845 18046 3706 1 7 . 1 1 23 23 GLN H H 23 9.766 9.766 8.773 0.993 18046 3707 1 7 . 1 1 24 24 ASP N N 24 114.153 114.153 120.020 -5.867 18046 3708 1 7 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.459 -0.359 18046 3709 1 7 . 1 1 24 24 ASP C C 24 176.528 176.528 177.404 -0.876 18046 3710 1 7 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.699 -0.799 18046 3711 1 7 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.485 0.275 18046 3712 1 7 . 1 1 24 24 ASP H H 24 7.760 7.760 7.830 -0.070 18046 3713 1 7 . 1 1 25 25 ASP N N 25 116.379 116.379 117.011 -0.632 18046 3714 1 7 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.710 -0.170 18046 3715 1 7 . 1 1 25 25 ASP C C 25 175.059 175.059 176.168 -1.109 18046 3716 1 7 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.104 1.096 18046 3717 1 7 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.547 0.953 18046 3718 1 7 . 1 1 25 25 ASP H H 25 7.655 7.655 8.005 -0.350 18046 3719 1 7 . 1 1 26 26 LEU N N 26 118.095 118.095 122.450 -4.355 18046 3720 1 7 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.144 -0.864 18046 3721 1 7 . 1 1 26 26 LEU C C 26 174.177 174.177 176.455 -2.278 18046 3722 1 7 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.360 -1.460 18046 3723 1 7 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.755 -1.455 18046 3724 1 7 . 1 1 26 26 LEU H H 26 7.309 7.309 7.216 0.093 18046 3725 1 7 . 1 1 27 27 ASP N N 27 127.757 127.757 127.637 0.120 18046 3726 1 7 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.604 0.196 18046 3727 1 7 . 1 1 27 27 ASP C C 27 177.178 177.178 177.102 0.076 18046 3728 1 7 . 1 1 27 27 ASP CA C 27 54.500 54.500 54.577 -0.077 18046 3729 1 7 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.529 1.970 18046 3730 1 7 . 1 1 27 27 ASP H H 27 8.612 8.612 8.434 0.178 18046 3731 1 7 . 1 1 28 28 GLU N N 28 124.674 124.674 119.440 5.234 18046 3732 1 7 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.192 0.198 18046 3733 1 7 . 1 1 28 28 GLU C C 28 175.019 175.019 176.749 -1.730 18046 3734 1 7 . 1 1 28 28 GLU CA C 28 57.700 57.700 58.519 -0.819 18046 3735 1 7 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.227 -0.627 18046 3736 1 7 . 1 1 28 28 GLU H H 28 8.632 8.632 8.712 -0.080 18046 3737 1 7 . 1 1 29 29 ASN N N 29 115.882 115.882 118.849 -2.967 18046 3738 1 7 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.927 -0.297 18046 3739 1 7 . 1 1 29 29 ASN C C 29 175.382 175.382 173.631 1.751 18046 3740 1 7 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.814 -0.014 18046 3741 1 7 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.162 0.838 18046 3742 1 7 . 1 1 29 29 ASN H H 29 9.360 9.360 8.278 1.082 18046 3743 1 7 . 1 1 30 30 ASP N N 30 127.013 127.013 121.970 5.043 18046 3744 1 7 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.801 0.749 18046 3745 1 7 . 1 1 30 30 ASP C C 30 172.009 172.009 174.830 -2.821 18046 3746 1 7 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.379 0.821 18046 3747 1 7 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.642 0.159 18046 3748 1 7 . 1 1 30 30 ASP H H 30 8.710 8.710 8.628 0.082 18046 3749 1 7 . 1 1 31 31 VAL N N 31 112.784 112.784 120.673 -7.889 18046 3750 1 7 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.309 1.091 18046 3751 1 7 . 1 1 31 31 VAL C C 31 173.273 173.273 174.917 -1.644 18046 3752 1 7 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.213 -2.213 18046 3753 1 7 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.561 3.239 18046 3754 1 7 . 1 1 31 31 VAL H H 31 7.364 7.364 8.411 -1.047 18046 3755 1 7 . 1 1 32 32 TYR N N 32 120.917 120.917 126.876 -5.959 18046 3756 1 7 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.395 0.275 18046 3757 1 7 . 1 1 32 32 TYR C C 32 174.735 174.735 175.311 -0.576 18046 3758 1 7 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.789 1.011 18046 3759 1 7 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.526 1.575 18046 3760 1 7 . 1 1 32 32 TYR H H 32 9.698 9.698 8.147 1.551 18046 3761 1 7 . 1 1 33 33 LEU N N 33 119.790 119.790 120.674 -0.884 18046 3762 1 7 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.263 1.447 18046 3763 1 7 . 1 1 33 33 LEU C C 33 175.551 175.551 174.989 0.562 18046 3764 1 7 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.846 -2.365 18046 3765 1 7 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.859 -0.575 18046 3766 1 7 . 1 1 33 33 LEU H H 33 9.111 9.111 8.755 0.356 18046 3767 1 7 . 1 1 34 34 LEU N N 34 125.829 125.829 127.652 -1.823 18046 3768 1 7 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.176 0.234 18046 3769 1 7 . 1 1 34 34 LEU C C 34 174.819 174.819 174.729 0.090 18046 3770 1 7 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.315 0.005 18046 3771 1 7 . 1 1 34 34 LEU CB C 34 44.580 44.580 44.842 -0.262 18046 3772 1 7 . 1 1 34 34 LEU H H 34 9.847 9.847 8.033 1.814 18046 3773 1 7 . 1 1 35 35 ASP N N 35 126.739 126.739 128.287 -1.548 18046 3774 1 7 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.968 0.172 18046 3775 1 7 . 1 1 35 35 ASP C C 35 176.690 176.690 175.599 1.091 18046 3776 1 7 . 1 1 35 35 ASP CA C 35 53.600 53.600 54.023 -0.423 18046 3777 1 7 . 1 1 35 35 ASP CB C 35 42.200 42.200 40.912 1.288 18046 3778 1 7 . 1 1 35 35 ASP H H 35 9.740 9.740 8.526 1.214 18046 3779 1 7 . 1 1 36 36 THR N N 36 118.603 118.603 114.136 4.467 18046 3780 1 7 . 1 1 36 36 THR HA H 36 4.290 4.290 4.285 0.005 18046 3781 1 7 . 1 1 36 36 THR C C 36 175.471 175.471 174.398 1.073 18046 3782 1 7 . 1 1 36 36 THR CA C 36 60.800 60.800 59.386 1.414 18046 3783 1 7 . 1 1 36 36 THR CB C 36 68.500 68.500 70.684 -2.184 18046 3784 1 7 . 1 1 36 36 THR H H 36 8.596 8.596 7.839 0.757 18046 3785 1 7 . 1 1 37 37 TRP N N 37 122.021 122.021 122.252 -0.231 18046 3786 1 7 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.492 -0.442 18046 3787 1 7 . 1 1 37 37 TRP C C 37 177.341 177.341 176.413 0.928 18046 3788 1 7 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.383 2.417 18046 3789 1 7 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.606 -0.606 18046 3790 1 7 . 1 1 37 37 TRP H H 37 9.090 9.090 8.287 0.803 18046 3791 1 7 . 1 1 38 38 ASP N N 38 117.786 117.786 117.905 -0.119 18046 3792 1 7 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.759 -0.369 18046 3793 1 7 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.086 -0.086 18046 3794 1 7 . 1 1 38 38 ASP CB C 38 41.300 41.300 42.285 -0.985 18046 3795 1 7 . 1 1 38 38 ASP H H 38 8.676 8.676 7.834 0.842 18046 3796 1 7 . 1 1 39 39 GLN N N 39 110.693 110.693 114.812 -4.119 18046 3797 1 7 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.502 -0.012 18046 3798 1 7 . 1 1 39 39 GLN C C 39 173.398 173.398 174.393 -0.995 18046 3799 1 7 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.348 -0.548 18046 3800 1 7 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.863 0.337 18046 3801 1 7 . 1 1 39 39 GLN H H 39 7.325 7.325 8.071 -0.746 18046 3802 1 7 . 1 1 40 40 ILE N N 40 120.287 120.287 122.864 -2.577 18046 3803 1 7 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.651 0.329 18046 3804 1 7 . 1 1 40 40 ILE C C 40 175.143 175.143 175.994 -0.851 18046 3805 1 7 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.525 -1.425 18046 3806 1 7 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.545 1.155 18046 3807 1 7 . 1 1 40 40 ILE H H 40 8.663 8.663 8.659 0.004 18046 3808 1 7 . 1 1 41 41 PHE N N 41 124.653 124.653 127.698 -3.045 18046 3809 1 7 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.883 0.607 18046 3810 1 7 . 1 1 41 41 PHE C C 41 174.167 174.167 175.143 -0.976 18046 3811 1 7 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.563 -0.163 18046 3812 1 7 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.055 2.145 18046 3813 1 7 . 1 1 41 41 PHE H H 41 9.555 9.555 9.336 0.219 18046 3814 1 7 . 1 1 42 42 PHE N N 42 128.681 128.681 125.358 3.323 18046 3815 1 7 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.889 0.691 18046 3816 1 7 . 1 1 42 42 PHE C C 42 172.940 172.940 174.880 -1.940 18046 3817 1 7 . 1 1 42 42 PHE CA C 42 54.700 54.700 57.495 -2.795 18046 3818 1 7 . 1 1 42 42 PHE CB C 42 41.000 41.000 39.868 1.131 18046 3819 1 7 . 1 1 42 42 PHE H H 42 9.647 9.647 8.529 1.118 18046 3820 1 7 . 1 1 43 43 TRP N N 43 128.634 128.634 126.637 1.997 18046 3821 1 7 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.800 0.480 18046 3822 1 7 . 1 1 43 43 TRP C C 43 175.877 175.877 174.731 1.146 18046 3823 1 7 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.451 1.549 18046 3824 1 7 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.677 2.523 18046 3825 1 7 . 1 1 43 43 TRP H H 43 9.997 9.997 8.883 1.114 18046 3826 1 7 . 1 1 44 44 ILE N N 44 126.166 126.166 126.267 -0.101 18046 3827 1 7 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.577 -0.427 18046 3828 1 7 . 1 1 44 44 ILE C C 44 175.190 175.190 175.654 -0.464 18046 3829 1 7 . 1 1 44 44 ILE CA C 44 60.500 60.500 58.941 1.559 18046 3830 1 7 . 1 1 44 44 ILE CB C 44 39.300 39.300 38.370 0.930 18046 3831 1 7 . 1 1 44 44 ILE H H 44 8.359 8.359 7.843 0.516 18046 3832 1 7 . 1 1 45 45 GLY N N 45 119.260 119.260 113.526 5.734 18046 3833 1 7 . 1 1 45 45 GLY C C 45 176.163 176.163 174.423 1.740 18046 3834 1 7 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.514 2.086 18046 3835 1 7 . 1 1 45 45 GLY H H 45 7.603 7.603 8.344 -0.741 18046 3836 1 7 . 1 1 46 46 LYS N N 46 124.868 124.868 119.345 5.523 18046 3837 1 7 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.414 -0.344 18046 3838 1 7 . 1 1 46 46 LYS C C 46 177.700 177.700 177.428 0.272 18046 3839 1 7 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.559 1.641 18046 3840 1 7 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.254 -0.854 18046 3841 1 7 . 1 1 46 46 LYS H H 46 9.104 9.104 8.202 0.902 18046 3842 1 7 . 1 1 47 47 GLY N N 47 106.230 106.230 107.401 -1.171 18046 3843 1 7 . 1 1 47 47 GLY C C 47 175.326 175.326 174.102 1.224 18046 3844 1 7 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.175 -0.975 18046 3845 1 7 . 1 1 47 47 GLY H H 47 8.954 8.954 8.012 0.942 18046 3846 1 7 . 1 1 48 48 ALA N N 48 125.925 125.925 122.869 3.056 18046 3847 1 7 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.238 0.382 18046 3848 1 7 . 1 1 48 48 ALA C C 48 177.829 177.829 177.544 0.285 18046 3849 1 7 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.574 0.126 18046 3850 1 7 . 1 1 48 48 ALA CB C 48 19.900 19.900 19.055 0.845 18046 3851 1 7 . 1 1 48 48 ALA H H 48 7.484 7.484 7.720 -0.236 18046 3852 1 7 . 1 1 49 49 ASN N N 49 119.683 119.683 122.856 -3.173 18046 3853 1 7 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.567 0.533 18046 3854 1 7 . 1 1 49 49 ASN C C 49 175.874 175.874 177.009 -1.135 18046 3855 1 7 . 1 1 49 49 ASN CA C 49 51.600 51.600 54.009 -2.409 18046 3856 1 7 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.477 1.523 18046 3857 1 7 . 1 1 49 49 ASN H H 49 8.921 8.921 9.053 -0.132 18046 3858 1 7 . 1 1 50 50 GLU N N 50 118.057 118.057 120.717 -2.660 18046 3859 1 7 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.080 -0.080 18046 3860 1 7 . 1 1 50 50 GLU C C 50 178.722 178.722 178.151 0.571 18046 3861 1 7 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.641 -0.041 18046 3862 1 7 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.602 -0.002 18046 3863 1 7 . 1 1 50 50 GLU H H 50 8.828 8.828 8.960 -0.133 18046 3864 1 7 . 1 1 51 51 SER N N 51 115.397 115.397 114.813 0.584 18046 3865 1 7 . 1 1 51 51 SER HA H 51 4.350 4.350 4.232 0.118 18046 3866 1 7 . 1 1 51 51 SER C C 51 177.932 177.932 176.365 1.567 18046 3867 1 7 . 1 1 51 51 SER CA C 51 61.800 61.800 61.387 0.413 18046 3868 1 7 . 1 1 51 51 SER CB C 51 62.700 62.700 62.900 -0.200 18046 3869 1 7 . 1 1 51 51 SER H H 51 8.401 8.401 8.411 -0.010 18046 3870 1 7 . 1 1 52 52 GLU N N 52 122.271 122.271 122.265 0.006 18046 3871 1 7 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.135 -0.035 18046 3872 1 7 . 1 1 52 52 GLU C C 52 177.665 177.665 178.539 -0.874 18046 3873 1 7 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.910 -0.710 18046 3874 1 7 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.956 -0.556 18046 3875 1 7 . 1 1 52 52 GLU H H 52 8.566 8.566 8.375 0.191 18046 3876 1 7 . 1 1 53 53 LYS N N 53 119.319 119.319 118.530 0.789 18046 3877 1 7 . 1 1 53 53 LYS HA H 53 4.040 4.040 4.077 -0.037 18046 3878 1 7 . 1 1 53 53 LYS C C 53 178.727 178.727 178.650 0.077 18046 3879 1 7 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.395 1.505 18046 3880 1 7 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.275 0.325 18046 3881 1 7 . 1 1 53 53 LYS H H 53 7.704 7.704 7.590 0.114 18046 3882 1 7 . 1 1 54 54 GLU N N 54 119.268 119.268 118.943 0.325 18046 3883 1 7 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.094 -0.034 18046 3884 1 7 . 1 1 54 54 GLU C C 54 179.211 179.211 178.320 0.891 18046 3885 1 7 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.078 0.422 18046 3886 1 7 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.633 0.267 18046 3887 1 7 . 1 1 54 54 GLU H H 54 8.173 8.173 7.298 0.875 18046 3888 1 7 . 1 1 55 55 ALA N N 55 121.311 121.311 121.982 -0.671 18046 3889 1 7 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.816 0.134 18046 3890 1 7 . 1 1 55 55 ALA C C 55 180.920 180.920 179.366 1.554 18046 3891 1 7 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.693 -0.193 18046 3892 1 7 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.110 -1.310 18046 3893 1 7 . 1 1 55 55 ALA H H 55 7.954 7.954 8.371 -0.417 18046 3894 1 7 . 1 1 56 56 ALA N N 56 123.395 123.395 119.310 4.085 18046 3895 1 7 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.239 -0.219 18046 3896 1 7 . 1 1 56 56 ALA C C 56 178.383 178.383 179.084 -0.701 18046 3897 1 7 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.721 0.679 18046 3898 1 7 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.474 1.126 18046 3899 1 7 . 1 1 56 56 ALA H H 56 8.393 8.393 8.128 0.265 18046 3900 1 7 . 1 1 57 57 ALA N N 57 120.754 120.754 121.021 -0.267 18046 3901 1 7 . 1 1 57 57 ALA HA H 57 3.920 3.920 4.562 -0.642 18046 3902 1 7 . 1 1 57 57 ALA C C 57 180.433 180.433 179.955 0.478 18046 3903 1 7 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.931 0.769 18046 3904 1 7 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.300 -0.600 18046 3905 1 7 . 1 1 57 57 ALA H H 57 7.690 7.690 7.453 0.237 18046 3906 1 7 . 1 1 58 58 GLU N N 58 118.337 118.337 118.783 -0.446 18046 3907 1 7 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.041 0.059 18046 3908 1 7 . 1 1 58 58 GLU C C 58 179.210 179.210 179.089 0.121 18046 3909 1 7 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.378 -0.178 18046 3910 1 7 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.703 -0.403 18046 3911 1 7 . 1 1 58 58 GLU H H 58 7.423 7.423 7.957 -0.534 18046 3912 1 7 . 1 1 59 59 THR N N 59 118.744 118.744 115.168 3.576 18046 3913 1 7 . 1 1 59 59 THR HA H 59 3.860 3.860 4.035 -0.175 18046 3914 1 7 . 1 1 59 59 THR C C 59 175.722 175.722 175.801 -0.079 18046 3915 1 7 . 1 1 59 59 THR CA C 59 67.420 67.420 66.326 1.094 18046 3916 1 7 . 1 1 59 59 THR CB C 59 68.590 68.590 68.519 0.070 18046 3917 1 7 . 1 1 59 59 THR H H 59 8.354 8.354 8.393 -0.039 18046 3918 1 7 . 1 1 60 60 ALA N N 60 122.991 122.991 122.039 0.952 18046 3919 1 7 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.873 -0.143 18046 3920 1 7 . 1 1 60 60 ALA C C 60 178.155 178.155 179.255 -1.100 18046 3921 1 7 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.678 1.022 18046 3922 1 7 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.135 -0.335 18046 3923 1 7 . 1 1 60 60 ALA H H 60 8.294 8.294 7.611 0.683 18046 3924 1 7 . 1 1 61 61 GLN N N 61 113.649 113.649 116.717 -3.068 18046 3925 1 7 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.898 0.092 18046 3926 1 7 . 1 1 61 61 GLN C C 61 178.640 178.640 178.105 0.535 18046 3927 1 7 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.594 -0.674 18046 3928 1 7 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.156 0.304 18046 3929 1 7 . 1 1 61 61 GLN H H 61 7.215 7.215 7.871 -0.656 18046 3930 1 7 . 1 1 62 62 GLU N N 62 120.684 120.684 118.180 2.504 18046 3931 1 7 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.069 -0.029 18046 3932 1 7 . 1 1 62 62 GLU C C 62 179.047 179.047 178.639 0.408 18046 3933 1 7 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.135 0.066 18046 3934 1 7 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.061 0.239 18046 3935 1 7 . 1 1 62 62 GLU H H 62 8.126 8.126 7.953 0.173 18046 3936 1 7 . 1 1 63 63 TYR N N 63 122.118 122.118 120.206 1.912 18046 3937 1 7 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.293 -0.063 18046 3938 1 7 . 1 1 63 63 TYR C C 63 178.643 178.643 177.536 1.107 18046 3939 1 7 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.687 -0.587 18046 3940 1 7 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.914 -1.115 18046 3941 1 7 . 1 1 63 63 TYR H H 63 8.796 8.796 7.725 1.071 18046 3942 1 7 . 1 1 64 64 LEU N N 64 119.163 119.163 120.075 -0.912 18046 3943 1 7 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.902 -0.222 18046 3944 1 7 . 1 1 64 64 LEU C C 64 178.475 178.475 179.270 -0.795 18046 3945 1 7 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.021 -0.021 18046 3946 1 7 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.381 2.119 18046 3947 1 7 . 1 1 64 64 LEU H H 64 7.799 7.799 7.810 -0.011 18046 3948 1 7 . 1 1 65 65 ARG N N 65 116.868 116.868 118.836 -1.968 18046 3949 1 7 . 1 1 65 65 ARG HA H 65 4.070 4.070 3.963 0.107 18046 3950 1 7 . 1 1 65 65 ARG C C 65 177.464 177.464 178.072 -0.608 18046 3951 1 7 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.727 -0.127 18046 3952 1 7 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.765 1.035 18046 3953 1 7 . 1 1 65 65 ARG H H 65 7.842 7.842 7.761 0.081 18046 3954 1 7 . 1 1 66 66 SER N N 66 112.527 112.527 113.978 -1.451 18046 3955 1 7 . 1 1 66 66 SER HA H 66 4.360 4.360 4.208 0.152 18046 3956 1 7 . 1 1 66 66 SER C C 66 174.087 174.087 175.300 -1.213 18046 3957 1 7 . 1 1 66 66 SER CA C 66 59.440 59.440 60.345 -0.905 18046 3958 1 7 . 1 1 66 66 SER CB C 66 64.120 64.120 63.484 0.636 18046 3959 1 7 . 1 1 66 66 SER H H 66 7.907 7.907 7.785 0.122 18046 3960 1 7 . 1 1 67 67 HIS N N 67 123.090 123.090 122.258 0.832 18046 3961 1 7 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.882 -0.222 18046 3962 1 7 . 1 1 67 67 HIS CA C 67 55.400 55.400 52.694 2.706 18046 3963 1 7 . 1 1 67 67 HIS CB C 67 29.600 29.600 30.187 -0.587 18046 3964 1 7 . 1 1 67 67 HIS H H 67 7.515 7.515 7.724 -0.209 18046 3965 1 7 . 1 1 68 68 PRO C C 68 176.365 176.365 176.887 -0.522 18046 3966 1 7 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.865 5.495 18046 3967 1 7 . 1 1 69 69 GLY N N 69 124.202 124.202 106.430 17.772 18046 3968 1 7 . 1 1 69 69 GLY C C 69 174.331 174.331 174.435 -0.104 18046 3969 1 7 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.425 1.275 18046 3970 1 7 . 1 1 69 69 GLY H H 69 8.166 8.166 8.026 0.140 18046 3971 1 7 . 1 1 70 70 SER N N 70 115.467 115.467 114.394 1.073 18046 3972 1 7 . 1 1 70 70 SER HA H 70 4.450 4.450 4.594 -0.144 18046 3973 1 7 . 1 1 70 70 SER C C 70 174.329 174.329 175.200 -0.871 18046 3974 1 7 . 1 1 70 70 SER CA C 70 58.640 58.640 59.039 -0.399 18046 3975 1 7 . 1 1 70 70 SER CB C 70 63.040 63.040 63.919 -0.879 18046 3976 1 7 . 1 1 70 70 SER H H 70 8.280 8.280 8.485 -0.205 18046 3977 1 7 . 1 1 71 71 ARG N N 71 120.585 120.585 121.530 -0.945 18046 3978 1 7 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.343 -0.113 18046 3979 1 7 . 1 1 71 71 ARG C C 71 175.793 175.793 176.126 -0.333 18046 3980 1 7 . 1 1 71 71 ARG CA C 71 55.100 55.100 56.285 -1.185 18046 3981 1 7 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.174 1.226 18046 3982 1 7 . 1 1 71 71 ARG H H 71 8.341 8.341 8.126 0.215 18046 3983 1 7 . 1 1 72 72 ASP N N 72 120.258 120.258 118.631 1.627 18046 3984 1 7 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.688 -0.248 18046 3985 1 7 . 1 1 72 72 ASP C C 72 178.038 178.038 176.615 1.423 18046 3986 1 7 . 1 1 72 72 ASP CA C 72 54.530 54.530 56.019 -1.489 18046 3987 1 7 . 1 1 72 72 ASP CB C 72 40.770 40.770 41.238 -0.468 18046 3988 1 7 . 1 1 72 72 ASP H H 72 8.471 8.471 8.332 0.139 18046 3989 1 7 . 1 1 73 73 LEU N N 73 127.518 127.518 118.548 8.970 18046 3990 1 7 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.240 -0.150 18046 3991 1 7 . 1 1 73 73 LEU C C 73 177.417 177.417 177.873 -0.456 18046 3992 1 7 . 1 1 73 73 LEU CA C 73 57.000 57.000 56.733 0.267 18046 3993 1 7 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.658 -1.658 18046 3994 1 7 . 1 1 73 73 LEU H H 73 8.826 8.826 7.413 1.413 18046 3995 1 7 . 1 1 74 74 ASP N N 74 117.787 117.787 118.466 -0.679 18046 3996 1 7 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.429 0.311 18046 3997 1 7 . 1 1 74 74 ASP C C 74 175.765 175.765 176.367 -0.602 18046 3998 1 7 . 1 1 74 74 ASP CA C 74 53.900 53.900 56.267 -2.367 18046 3999 1 7 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.992 -0.522 18046 4000 1 7 . 1 1 74 74 ASP H H 74 8.480 8.480 8.345 0.135 18046 4001 1 7 . 1 1 75 75 THR N N 75 119.682 119.682 115.352 4.330 18046 4002 1 7 . 1 1 75 75 THR HA H 75 4.210 4.210 4.722 -0.512 18046 4003 1 7 . 1 1 75 75 THR CA C 75 62.440 62.440 59.372 3.068 18046 4004 1 7 . 1 1 75 75 THR CB C 75 70.940 70.940 69.914 1.026 18046 4005 1 7 . 1 1 75 75 THR H H 75 7.303 7.303 7.885 -0.582 18046 4006 1 7 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.478 -0.238 18046 4007 1 7 . 1 1 76 76 PRO C C 76 174.823 174.823 176.220 -1.397 18046 4008 1 7 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.278 1.322 18046 4009 1 7 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.356 0.744 18046 4010 1 7 . 1 1 77 77 ILE N N 77 121.906 121.906 119.852 2.054 18046 4011 1 7 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.944 1.046 18046 4012 1 7 . 1 1 77 77 ILE C C 77 176.571 176.571 176.698 -0.127 18046 4013 1 7 . 1 1 77 77 ILE CA C 77 59.500 59.500 61.377 -1.877 18046 4014 1 7 . 1 1 77 77 ILE CB C 77 38.100 38.100 38.599 -0.499 18046 4015 1 7 . 1 1 77 77 ILE H H 77 8.052 8.052 8.069 -0.017 18046 4016 1 7 . 1 1 78 78 ILE N N 78 130.054 130.054 128.462 1.592 18046 4017 1 7 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.046 0.254 18046 4018 1 7 . 1 1 78 78 ILE C C 78 175.471 175.471 175.637 -0.166 18046 4019 1 7 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.500 -0.700 18046 4020 1 7 . 1 1 78 78 ILE CB C 78 39.300 39.300 35.966 3.334 18046 4021 1 7 . 1 1 78 78 ILE H H 78 8.977 8.977 8.314 0.663 18046 4022 1 7 . 1 1 79 79 VAL N N 79 130.072 130.072 127.615 2.457 18046 4023 1 7 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.914 0.776 18046 4024 1 7 . 1 1 79 79 VAL C C 79 176.024 176.024 175.991 0.033 18046 4025 1 7 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.562 0.338 18046 4026 1 7 . 1 1 79 79 VAL CB C 79 31.700 31.700 31.928 -0.228 18046 4027 1 7 . 1 1 79 79 VAL H H 79 8.872 8.872 7.925 0.947 18046 4028 1 7 . 1 1 80 80 VAL N N 80 129.055 129.055 126.555 2.500 18046 4029 1 7 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.292 0.128 18046 4030 1 7 . 1 1 80 80 VAL C C 80 173.028 173.028 174.636 -1.608 18046 4031 1 7 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.704 -0.704 18046 4032 1 7 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.128 1.272 18046 4033 1 7 . 1 1 80 80 VAL H H 80 9.608 9.608 8.315 1.293 18046 4034 1 7 . 1 1 81 81 LYS N N 81 123.854 123.854 123.624 0.230 18046 4035 1 7 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.551 -0.381 18046 4036 1 7 . 1 1 81 81 LYS C C 81 175.225 175.225 175.961 -0.736 18046 4037 1 7 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.909 0.191 18046 4038 1 7 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.377 -0.177 18046 4039 1 7 . 1 1 81 81 LYS H H 81 8.441 8.441 8.304 0.137 18046 4040 1 7 . 1 1 82 82 GLN N N 82 121.237 121.237 121.529 -0.292 18046 4041 1 7 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.100 -0.140 18046 4042 1 7 . 1 1 82 82 GLN C C 82 177.016 177.016 175.978 1.038 18046 4043 1 7 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.576 -0.076 18046 4044 1 7 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.716 0.384 18046 4045 1 7 . 1 1 82 82 GLN H H 82 6.493 6.493 8.745 -2.252 18046 4046 1 7 . 1 1 83 83 GLY N N 83 118.629 118.629 112.058 6.571 18046 4047 1 7 . 1 1 83 83 GLY C C 83 174.491 174.491 173.122 1.369 18046 4048 1 7 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.356 1.044 18046 4049 1 7 . 1 1 83 83 GLY H H 83 10.072 10.072 8.082 1.990 18046 4050 1 7 . 1 1 84 84 PHE N N 84 120.834 120.834 119.803 1.031 18046 4051 1 7 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.606 0.304 18046 4052 1 7 . 1 1 84 84 PHE C C 84 177.056 177.056 174.199 2.857 18046 4053 1 7 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.303 -0.803 18046 4054 1 7 . 1 1 84 84 PHE CB C 84 38.700 38.700 41.030 -2.330 18046 4055 1 7 . 1 1 84 84 PHE H H 84 8.431 8.431 7.240 1.191 18046 4056 1 7 . 1 1 85 85 GLU N N 85 125.174 125.174 125.166 0.008 18046 4057 1 7 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.849 -0.739 18046 4058 1 7 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.436 4.444 18046 4059 1 7 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.348 -3.178 18046 4060 1 7 . 1 1 85 85 GLU H H 85 10.207 10.207 8.519 1.688 18046 4061 1 7 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.450 0.300 18046 4062 1 7 . 1 1 87 87 PRO C C 87 178.401 178.401 178.000 0.401 18046 4063 1 7 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.967 -0.467 18046 4064 1 7 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.880 -0.480 18046 4065 1 7 . 1 1 88 88 THR N N 88 107.088 107.088 112.366 -5.278 18046 4066 1 7 . 1 1 88 88 THR HA H 88 4.080 4.080 3.984 0.096 18046 4067 1 7 . 1 1 88 88 THR C C 88 174.325 174.325 175.581 -1.256 18046 4068 1 7 . 1 1 88 88 THR CA C 88 63.200 63.200 64.985 -1.785 18046 4069 1 7 . 1 1 88 88 THR CB C 88 68.300 68.300 68.044 0.256 18046 4070 1 7 . 1 1 88 88 THR H H 88 7.316 7.316 8.146 -0.830 18046 4071 1 7 . 1 1 89 89 PHE N N 89 119.031 119.031 122.031 -3.000 18046 4072 1 7 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.893 0.027 18046 4073 1 7 . 1 1 89 89 PHE C C 89 175.661 175.661 177.204 -1.543 18046 4074 1 7 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.658 -0.658 18046 4075 1 7 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.694 2.366 18046 4076 1 7 . 1 1 89 89 PHE H H 89 7.437 7.437 7.741 -0.304 18046 4077 1 7 . 1 1 90 90 THR N N 90 107.216 107.216 116.658 -9.442 18046 4078 1 7 . 1 1 90 90 THR HA H 90 3.210 3.210 3.138 0.072 18046 4079 1 7 . 1 1 90 90 THR C C 90 177.340 177.340 176.655 0.685 18046 4080 1 7 . 1 1 90 90 THR CA C 90 65.000 65.000 67.295 -2.295 18046 4081 1 7 . 1 1 90 90 THR CB C 90 68.200 68.200 67.773 0.427 18046 4082 1 7 . 1 1 90 90 THR H H 90 7.675 7.675 7.872 -0.197 18046 4083 1 7 . 1 1 91 91 GLY N N 91 106.674 106.674 109.055 -2.381 18046 4084 1 7 . 1 1 91 91 GLY C C 91 174.591 174.591 174.495 0.096 18046 4085 1 7 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.747 0.553 18046 4086 1 7 . 1 1 91 91 GLY H H 91 7.865 7.865 7.346 0.519 18046 4087 1 7 . 1 1 92 92 TRP N N 92 117.951 117.951 118.741 -0.790 18046 4088 1 7 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.279 0.211 18046 4089 1 7 . 1 1 92 92 TRP C C 92 174.042 174.042 176.403 -2.361 18046 4090 1 7 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.867 0.603 18046 4091 1 7 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.386 0.244 18046 4092 1 7 . 1 1 92 92 TRP H H 92 7.018 7.018 7.141 -0.123 18046 4093 1 7 . 1 1 93 93 PHE N N 93 118.863 118.863 115.934 2.929 18046 4094 1 7 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.210 0.400 18046 4095 1 7 . 1 1 93 93 PHE C C 93 175.872 175.872 177.000 -1.128 18046 4096 1 7 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.834 0.066 18046 4097 1 7 . 1 1 93 93 PHE CB C 93 40.800 40.800 39.941 0.859 18046 4098 1 7 . 1 1 93 93 PHE H H 93 7.956 7.956 7.595 0.361 18046 4099 1 7 . 1 1 94 94 MET N N 94 121.781 121.781 119.222 2.559 18046 4100 1 7 . 1 1 94 94 MET HA H 94 4.200 4.200 4.192 0.008 18046 4101 1 7 . 1 1 94 94 MET C C 94 175.794 175.794 175.937 -0.143 18046 4102 1 7 . 1 1 94 94 MET CA C 94 57.900 57.900 56.738 1.162 18046 4103 1 7 . 1 1 94 94 MET CB C 94 32.300 32.300 32.516 -0.216 18046 4104 1 7 . 1 1 94 94 MET H H 94 8.825 8.825 8.566 0.259 18046 4105 1 7 . 1 1 95 95 ALA N N 95 120.648 120.648 122.226 -1.578 18046 4106 1 7 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.438 0.002 18046 4107 1 7 . 1 1 95 95 ALA C C 95 175.600 175.600 176.501 -0.901 18046 4108 1 7 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.923 0.877 18046 4109 1 7 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.941 1.859 18046 4110 1 7 . 1 1 95 95 ALA H H 95 8.037 8.037 7.557 0.480 18046 4111 1 7 . 1 1 96 96 TRP N N 96 121.009 121.009 123.648 -2.639 18046 4112 1 7 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.365 -0.155 18046 4113 1 7 . 1 1 96 96 TRP C C 96 174.409 174.409 176.061 -1.652 18046 4114 1 7 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.864 -0.064 18046 4115 1 7 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.944 0.556 18046 4116 1 7 . 1 1 96 96 TRP H H 96 8.481 8.481 8.416 0.065 18046 4117 1 7 . 1 1 97 97 ASP N N 97 128.963 128.963 121.171 7.792 18046 4118 1 7 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.127 -0.037 18046 4119 1 7 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.825 -1.265 18046 4120 1 7 . 1 1 97 97 ASP CB C 97 42.530 42.530 42.801 -0.271 18046 4121 1 7 . 1 1 97 97 ASP H H 97 8.850 8.850 8.903 -0.053 18046 4122 1 7 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.507 0.003 18046 4123 1 7 . 1 1 98 98 PRO C C 98 177.169 177.169 177.352 -0.183 18046 4124 1 7 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.158 0.042 18046 4125 1 7 . 1 1 98 98 PRO CB C 98 32.570 32.570 32.004 0.566 18046 4126 1 7 . 1 1 99 99 LEU N N 99 118.381 118.381 119.026 -0.645 18046 4127 1 7 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.501 0.029 18046 4128 1 7 . 1 1 99 99 LEU C C 99 177.338 177.338 178.191 -0.853 18046 4129 1 7 . 1 1 99 99 LEU CA C 99 54.550 54.550 55.057 -0.507 18046 4130 1 7 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.349 -0.599 18046 4131 1 7 . 1 1 99 99 LEU H H 99 8.372 8.372 7.639 0.733 18046 4132 1 7 . 1 1 100 100 CYS N N 100 119.396 119.396 119.131 0.265 18046 4133 1 7 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.228 -0.618 18046 4134 1 7 . 1 1 100 100 CYS C C 100 174.820 174.820 175.905 -1.085 18046 4135 1 7 . 1 1 100 100 CYS CA C 100 61.500 61.500 61.814 -0.314 18046 4136 1 7 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.587 0.713 18046 4137 1 7 . 1 1 100 100 CYS H H 100 7.052 7.052 7.960 -0.908 18046 4138 1 7 . 1 1 101 101 TRP N N 101 115.737 115.737 121.142 -5.405 18046 4139 1 7 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.628 0.152 18046 4140 1 7 . 1 1 101 101 TRP C C 101 176.485 176.485 176.004 0.481 18046 4141 1 7 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.411 1.489 18046 4142 1 7 . 1 1 101 101 TRP CB C 101 28.100 28.100 29.009 -0.909 18046 4143 1 7 . 1 1 101 101 TRP H H 101 7.625 7.625 7.924 -0.299 18046 4144 1 7 . 1 1 102 102 SER N N 102 115.896 115.896 115.686 0.210 18046 4145 1 7 . 1 1 102 102 SER HA H 102 4.520 4.520 4.236 0.284 18046 4146 1 7 . 1 1 102 102 SER C C 102 174.333 174.333 175.394 -1.061 18046 4147 1 7 . 1 1 102 102 SER CA C 102 59.200 59.200 60.993 -1.794 18046 4148 1 7 . 1 1 102 102 SER CB C 102 64.100 64.100 62.932 1.168 18046 4149 1 7 . 1 1 102 102 SER H H 102 7.916 7.916 7.784 0.132 18046 4150 1 7 . 1 1 103 103 ASP N N 103 122.262 122.262 120.220 2.042 18046 4151 1 7 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.628 0.032 18046 4152 1 7 . 1 1 103 103 ASP C C 103 176.129 176.129 178.276 -2.147 18046 4153 1 7 . 1 1 103 103 ASP CA C 103 54.700 54.700 56.206 -1.506 18046 4154 1 7 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.163 -0.163 18046 4155 1 7 . 1 1 103 103 ASP H H 103 8.450 8.450 7.865 0.585 18046 4156 1 7 . 1 1 104 104 ARG N N 104 120.795 120.795 119.523 1.272 18046 4157 1 7 . 1 1 104 104 ARG HA H 104 4.330 4.330 4.035 0.295 18046 4158 1 7 . 1 1 104 104 ARG C C 104 176.283 176.283 177.933 -1.650 18046 4159 1 7 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.683 -2.483 18046 4160 1 7 . 1 1 104 104 ARG CB C 104 30.750 30.750 30.007 0.743 18046 4161 1 7 . 1 1 104 104 ARG H H 104 8.117 8.117 8.355 -0.238 18046 4162 1 7 . 1 1 105 105 LYS N N 105 122.131 122.131 116.800 5.331 18046 4163 1 7 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.331 0.014 18046 4164 1 7 . 1 1 105 105 LYS C C 105 176.284 176.284 176.723 -0.439 18046 4165 1 7 . 1 1 105 105 LYS CA C 105 56.300 56.300 56.561 -0.261 18046 4166 1 7 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.676 0.424 18046 4167 1 7 . 1 1 105 105 LYS H H 105 8.294 8.294 7.621 0.673 18046 4168 1 7 . 1 1 106 106 SER N N 106 116.993 116.993 115.041 1.952 18046 4169 1 7 . 1 1 106 106 SER HA H 106 4.470 4.470 4.273 0.197 18046 4170 1 7 . 1 1 106 106 SER CA C 106 58.300 58.300 57.849 0.451 18046 4171 1 7 . 1 1 106 106 SER CB C 106 64.200 64.200 64.289 -0.089 18046 4172 1 7 . 1 1 106 106 SER H H 106 8.235 8.235 7.544 0.691 18046 4173 1 8 . 1 1 2 2 ARG N N 2 117.203 117.203 118.478 -1.275 18046 4174 1 8 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.848 0.202 18046 4175 1 8 . 1 1 2 2 ARG C C 2 172.726 172.726 174.575 -1.849 18046 4176 1 8 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.377 0.823 18046 4177 1 8 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.200 -2.300 18046 4178 1 8 . 1 1 2 2 ARG H H 2 8.108 8.108 7.730 0.378 18046 4179 1 8 . 1 1 3 3 LEU N N 3 125.261 125.261 118.673 6.588 18046 4180 1 8 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.959 0.261 18046 4181 1 8 . 1 1 3 3 LEU C C 3 174.166 174.166 175.392 -1.226 18046 4182 1 8 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.082 -0.082 18046 4183 1 8 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.405 -0.005 18046 4184 1 8 . 1 1 3 3 LEU H H 3 8.542 8.542 8.191 0.351 18046 4185 1 8 . 1 1 4 4 PHE N N 4 123.490 123.490 117.055 6.435 18046 4186 1 8 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.805 0.295 18046 4187 1 8 . 1 1 4 4 PHE C C 4 174.820 174.820 174.761 0.059 18046 4188 1 8 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.485 -1.195 18046 4189 1 8 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.766 0.584 18046 4190 1 8 . 1 1 4 4 PHE H H 4 9.591 9.591 8.704 0.887 18046 4191 1 8 . 1 1 5 5 GLU N N 5 125.718 125.718 124.445 1.273 18046 4192 1 8 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.885 -0.865 18046 4193 1 8 . 1 1 5 5 GLU C C 5 174.892 174.892 175.644 -0.752 18046 4194 1 8 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.353 -0.253 18046 4195 1 8 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.834 2.016 18046 4196 1 8 . 1 1 5 5 GLU H H 5 9.484 9.484 8.458 1.026 18046 4197 1 8 . 1 1 6 6 CYS N N 6 127.915 127.915 126.280 1.635 18046 4198 1 8 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.209 -0.189 18046 4199 1 8 . 1 1 6 6 CYS C C 6 172.378 172.378 173.743 -1.365 18046 4200 1 8 . 1 1 6 6 CYS CA C 6 58.000 58.000 56.917 1.083 18046 4201 1 8 . 1 1 6 6 CYS CB C 6 29.300 29.300 28.748 0.552 18046 4202 1 8 . 1 1 6 6 CYS H H 6 8.937 8.937 8.282 0.655 18046 4203 1 8 . 1 1 7 7 SER N N 7 113.574 113.574 118.021 -4.447 18046 4204 1 8 . 1 1 7 7 SER HA H 7 5.420 5.420 4.875 0.545 18046 4205 1 8 . 1 1 7 7 SER C C 7 175.632 175.632 172.842 2.790 18046 4206 1 8 . 1 1 7 7 SER CA C 7 55.400 55.400 56.487 -1.087 18046 4207 1 8 . 1 1 7 7 SER CB C 7 65.900 65.900 66.551 -0.651 18046 4208 1 8 . 1 1 7 7 SER H H 7 7.873 7.873 8.165 -0.292 18046 4209 1 8 . 1 1 8 8 ASN N N 8 126.153 126.153 121.623 4.530 18046 4210 1 8 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.103 0.537 18046 4211 1 8 . 1 1 8 8 ASN C C 8 178.392 178.392 175.662 2.730 18046 4212 1 8 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.722 -1.222 18046 4213 1 8 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.164 -1.065 18046 4214 1 8 . 1 1 8 8 ASN H H 8 10.299 10.299 8.908 1.391 18046 4215 1 8 . 1 1 9 9 LYS N N 9 123.420 123.420 123.561 -0.141 18046 4216 1 8 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.154 0.076 18046 4217 1 8 . 1 1 9 9 LYS C C 9 177.891 177.891 177.245 0.646 18046 4218 1 8 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.113 0.687 18046 4219 1 8 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.937 -1.037 18046 4220 1 8 . 1 1 9 9 LYS H H 9 9.064 9.064 8.488 0.576 18046 4221 1 8 . 1 1 10 10 THR N N 10 110.292 110.292 108.247 2.045 18046 4222 1 8 . 1 1 10 10 THR HA H 10 4.480 4.480 4.479 0.001 18046 4223 1 8 . 1 1 10 10 THR C C 10 175.392 175.392 175.850 -0.458 18046 4224 1 8 . 1 1 10 10 THR CA C 10 63.100 63.100 62.397 0.703 18046 4225 1 8 . 1 1 10 10 THR CB C 10 70.100 70.100 70.068 0.032 18046 4226 1 8 . 1 1 10 10 THR H H 10 8.525 8.525 7.915 0.610 18046 4227 1 8 . 1 1 11 11 GLY N N 11 110.668 110.668 110.189 0.479 18046 4228 1 8 . 1 1 11 11 GLY C C 11 172.867 172.867 173.658 -0.791 18046 4229 1 8 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.111 -0.411 18046 4230 1 8 . 1 1 11 11 GLY H H 11 8.266 8.266 8.110 0.156 18046 4231 1 8 . 1 1 12 12 ARG N N 12 118.170 118.170 120.323 -2.153 18046 4232 1 8 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.706 -0.046 18046 4233 1 8 . 1 1 12 12 ARG C C 12 173.924 173.924 174.597 -0.673 18046 4234 1 8 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.736 -0.836 18046 4235 1 8 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.893 -0.093 18046 4236 1 8 . 1 1 12 12 ARG H H 12 7.538 7.538 7.838 -0.300 18046 4237 1 8 . 1 1 13 13 PHE N N 13 121.956 121.956 123.180 -1.224 18046 4238 1 8 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.612 -0.078 18046 4239 1 8 . 1 1 13 13 PHE C C 13 174.005 174.005 174.296 -0.291 18046 4240 1 8 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.533 1.967 18046 4241 1 8 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.928 -0.928 18046 4242 1 8 . 1 1 13 13 PHE H H 13 8.926 8.926 8.627 0.299 18046 4243 1 8 . 1 1 14 14 LEU N N 14 129.824 129.824 127.109 2.715 18046 4244 1 8 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.234 0.076 18046 4245 1 8 . 1 1 14 14 LEU C C 14 173.801 173.801 174.135 -0.334 18046 4246 1 8 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.896 1.304 18046 4247 1 8 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.070 1.530 18046 4248 1 8 . 1 1 14 14 LEU H H 14 8.114 8.114 7.325 0.789 18046 4249 1 8 . 1 1 15 15 ALA N N 15 125.201 125.201 125.649 -0.448 18046 4250 1 8 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.374 1.156 18046 4251 1 8 . 1 1 15 15 ALA C C 15 177.178 177.178 176.208 0.970 18046 4252 1 8 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.228 -1.428 18046 4253 1 8 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.535 0.265 18046 4254 1 8 . 1 1 15 15 ALA H H 15 8.234 8.234 8.191 0.043 18046 4255 1 8 . 1 1 16 16 THR N N 16 119.393 119.393 119.583 -0.190 18046 4256 1 8 . 1 1 16 16 THR HA H 16 4.654 4.654 4.508 0.146 18046 4257 1 8 . 1 1 16 16 THR C C 16 173.434 173.434 172.824 0.610 18046 4258 1 8 . 1 1 16 16 THR CA C 16 61.261 61.261 61.649 -0.388 18046 4259 1 8 . 1 1 16 16 THR CB C 16 71.500 71.500 71.826 -0.326 18046 4260 1 8 . 1 1 16 16 THR H H 16 9.149 9.149 7.989 1.160 18046 4261 1 8 . 1 1 17 17 GLU N N 17 128.928 128.928 125.589 3.339 18046 4262 1 8 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.408 -0.018 18046 4263 1 8 . 1 1 17 17 GLU C C 17 175.799 175.799 174.995 0.804 18046 4264 1 8 . 1 1 17 17 GLU CA C 17 56.800 56.800 55.558 1.242 18046 4265 1 8 . 1 1 17 17 GLU CB C 17 29.400 29.400 30.909 -1.509 18046 4266 1 8 . 1 1 17 17 GLU H H 17 9.269 9.269 8.601 0.668 18046 4267 1 8 . 1 1 18 18 ILE N N 18 129.185 129.185 126.437 2.748 18046 4268 1 8 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.084 0.306 18046 4269 1 8 . 1 1 18 18 ILE C C 18 176.202 176.202 174.703 1.499 18046 4270 1 8 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.387 1.313 18046 4271 1 8 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.237 -1.137 18046 4272 1 8 . 1 1 18 18 ILE H H 18 8.814 8.814 8.241 0.573 18046 4273 1 8 . 1 1 19 19 VAL N N 19 127.068 127.068 125.764 1.304 18046 4274 1 8 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.644 0.636 18046 4275 1 8 . 1 1 19 19 VAL C C 19 175.632 175.632 175.874 -0.242 18046 4276 1 8 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.687 -1.087 18046 4277 1 8 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.063 0.437 18046 4278 1 8 . 1 1 19 19 VAL H H 19 8.600 8.600 8.221 0.379 18046 4279 1 8 . 1 1 20 20 ASP N N 20 122.793 122.793 124.150 -1.357 18046 4280 1 8 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.120 0.170 18046 4281 1 8 . 1 1 20 20 ASP C C 20 175.742 175.742 175.000 0.742 18046 4282 1 8 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.465 -0.366 18046 4283 1 8 . 1 1 20 20 ASP CB C 20 39.000 39.000 40.128 -1.128 18046 4284 1 8 . 1 1 20 20 ASP H H 20 9.037 9.037 8.397 0.640 18046 4285 1 8 . 1 1 21 21 PHE N N 21 113.443 113.443 123.712 -10.269 18046 4286 1 8 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.700 0.110 18046 4287 1 8 . 1 1 21 21 PHE C C 21 175.062 175.062 175.424 -0.362 18046 4288 1 8 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.371 0.829 18046 4289 1 8 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.173 -0.273 18046 4290 1 8 . 1 1 21 21 PHE H H 21 6.542 6.542 7.600 -1.058 18046 4291 1 8 . 1 1 22 22 THR N N 22 112.200 112.200 112.198 0.002 18046 4292 1 8 . 1 1 22 22 THR HA H 22 4.900 4.900 4.823 0.077 18046 4293 1 8 . 1 1 22 22 THR C C 22 175.307 175.307 175.662 -0.355 18046 4294 1 8 . 1 1 22 22 THR CA C 22 60.400 60.400 60.697 -0.297 18046 4295 1 8 . 1 1 22 22 THR CB C 22 73.300 73.300 70.763 2.537 18046 4296 1 8 . 1 1 22 22 THR H H 22 9.640 9.640 8.232 1.408 18046 4297 1 8 . 1 1 23 23 GLN N N 23 122.406 122.406 118.175 4.231 18046 4298 1 8 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.220 -0.540 18046 4299 1 8 . 1 1 23 23 GLN C C 23 176.527 176.527 177.267 -0.740 18046 4300 1 8 . 1 1 23 23 GLN CA C 23 59.000 59.000 57.934 1.066 18046 4301 1 8 . 1 1 23 23 GLN CB C 23 27.600 27.600 27.902 -0.302 18046 4302 1 8 . 1 1 23 23 GLN H H 23 9.766 9.766 8.714 1.052 18046 4303 1 8 . 1 1 24 24 ASP N N 24 114.153 114.153 120.584 -6.431 18046 4304 1 8 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.459 -0.359 18046 4305 1 8 . 1 1 24 24 ASP C C 24 176.528 176.528 177.293 -0.765 18046 4306 1 8 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.886 -0.986 18046 4307 1 8 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.364 0.396 18046 4308 1 8 . 1 1 24 24 ASP H H 24 7.760 7.760 7.838 -0.078 18046 4309 1 8 . 1 1 25 25 ASP N N 25 116.379 116.379 117.150 -0.771 18046 4310 1 8 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.714 -0.174 18046 4311 1 8 . 1 1 25 25 ASP C C 25 175.059 175.059 175.969 -0.910 18046 4312 1 8 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.061 1.139 18046 4313 1 8 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.786 0.714 18046 4314 1 8 . 1 1 25 25 ASP H H 25 7.655 7.655 8.449 -0.794 18046 4315 1 8 . 1 1 26 26 LEU N N 26 118.095 118.095 123.039 -4.944 18046 4316 1 8 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.140 -0.860 18046 4317 1 8 . 1 1 26 26 LEU C C 26 174.177 174.177 176.639 -2.462 18046 4318 1 8 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.388 -1.488 18046 4319 1 8 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.608 -1.308 18046 4320 1 8 . 1 1 26 26 LEU H H 26 7.309 7.309 7.148 0.161 18046 4321 1 8 . 1 1 27 27 ASP N N 27 127.757 127.757 126.823 0.934 18046 4322 1 8 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.583 0.217 18046 4323 1 8 . 1 1 27 27 ASP C C 27 177.178 177.178 177.073 0.105 18046 4324 1 8 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.077 -0.577 18046 4325 1 8 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.821 1.679 18046 4326 1 8 . 1 1 27 27 ASP H H 27 8.612 8.612 8.165 0.447 18046 4327 1 8 . 1 1 28 28 GLU N N 28 124.674 124.674 119.678 4.996 18046 4328 1 8 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.218 0.172 18046 4329 1 8 . 1 1 28 28 GLU C C 28 175.019 175.019 176.344 -1.325 18046 4330 1 8 . 1 1 28 28 GLU CA C 28 57.700 57.700 59.186 -1.486 18046 4331 1 8 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.391 -0.791 18046 4332 1 8 . 1 1 28 28 GLU H H 28 8.632 8.632 8.866 -0.234 18046 4333 1 8 . 1 1 29 29 ASN N N 29 115.882 115.882 118.107 -2.225 18046 4334 1 8 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.980 -0.350 18046 4335 1 8 . 1 1 29 29 ASN C C 29 175.382 175.382 173.286 2.096 18046 4336 1 8 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.969 -0.169 18046 4337 1 8 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.923 0.077 18046 4338 1 8 . 1 1 29 29 ASN H H 29 9.360 9.360 8.335 1.025 18046 4339 1 8 . 1 1 30 30 ASP N N 30 127.013 127.013 121.636 5.377 18046 4340 1 8 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.714 0.836 18046 4341 1 8 . 1 1 30 30 ASP C C 30 172.009 172.009 174.387 -2.378 18046 4342 1 8 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.302 0.898 18046 4343 1 8 . 1 1 30 30 ASP CB C 30 44.800 44.800 45.078 -0.278 18046 4344 1 8 . 1 1 30 30 ASP H H 30 8.710 8.710 7.870 0.840 18046 4345 1 8 . 1 1 31 31 VAL N N 31 112.784 112.784 120.468 -7.684 18046 4346 1 8 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.151 1.249 18046 4347 1 8 . 1 1 31 31 VAL C C 31 173.273 173.273 175.039 -1.766 18046 4348 1 8 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.010 -2.010 18046 4349 1 8 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.290 3.510 18046 4350 1 8 . 1 1 31 31 VAL H H 31 7.364 7.364 8.363 -0.999 18046 4351 1 8 . 1 1 32 32 TYR N N 32 120.917 120.917 125.735 -4.818 18046 4352 1 8 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.441 0.229 18046 4353 1 8 . 1 1 32 32 TYR C C 32 174.735 174.735 175.147 -0.412 18046 4354 1 8 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.135 1.665 18046 4355 1 8 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.413 1.687 18046 4356 1 8 . 1 1 32 32 TYR H H 32 9.698 9.698 7.900 1.798 18046 4357 1 8 . 1 1 33 33 LEU N N 33 119.790 119.790 121.417 -1.627 18046 4358 1 8 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.628 1.082 18046 4359 1 8 . 1 1 33 33 LEU C C 33 175.551 175.551 175.470 0.081 18046 4360 1 8 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.203 -1.723 18046 4361 1 8 . 1 1 33 33 LEU CB C 33 44.285 44.285 43.776 0.509 18046 4362 1 8 . 1 1 33 33 LEU H H 33 9.111 9.111 8.784 0.327 18046 4363 1 8 . 1 1 34 34 LEU N N 34 125.829 125.829 126.815 -0.986 18046 4364 1 8 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.057 0.353 18046 4365 1 8 . 1 1 34 34 LEU C C 34 174.819 174.819 174.776 0.043 18046 4366 1 8 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.574 -0.254 18046 4367 1 8 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.672 -1.092 18046 4368 1 8 . 1 1 34 34 LEU H H 34 9.847 9.847 8.305 1.542 18046 4369 1 8 . 1 1 35 35 ASP N N 35 126.739 126.739 128.584 -1.845 18046 4370 1 8 . 1 1 35 35 ASP HA H 35 5.140 5.140 5.137 0.003 18046 4371 1 8 . 1 1 35 35 ASP C C 35 176.690 176.690 175.301 1.389 18046 4372 1 8 . 1 1 35 35 ASP CA C 35 53.600 53.600 53.473 0.127 18046 4373 1 8 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.751 0.449 18046 4374 1 8 . 1 1 35 35 ASP H H 35 9.740 9.740 8.777 0.963 18046 4375 1 8 . 1 1 36 36 THR N N 36 118.603 118.603 114.086 4.517 18046 4376 1 8 . 1 1 36 36 THR HA H 36 4.290 4.290 4.274 0.016 18046 4377 1 8 . 1 1 36 36 THR C C 36 175.471 175.471 174.388 1.083 18046 4378 1 8 . 1 1 36 36 THR CA C 36 60.800 60.800 59.451 1.349 18046 4379 1 8 . 1 1 36 36 THR CB C 36 68.500 68.500 70.503 -2.003 18046 4380 1 8 . 1 1 36 36 THR H H 36 8.596 8.596 7.829 0.767 18046 4381 1 8 . 1 1 37 37 TRP N N 37 122.021 122.021 122.565 -0.544 18046 4382 1 8 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.478 -0.428 18046 4383 1 8 . 1 1 37 37 TRP C C 37 177.341 177.341 176.365 0.976 18046 4384 1 8 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.457 2.343 18046 4385 1 8 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.680 -0.680 18046 4386 1 8 . 1 1 37 37 TRP H H 37 9.090 9.090 8.324 0.766 18046 4387 1 8 . 1 1 38 38 ASP N N 38 117.786 117.786 118.530 -0.744 18046 4388 1 8 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.781 -0.391 18046 4389 1 8 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.116 -0.116 18046 4390 1 8 . 1 1 38 38 ASP CB C 38 41.300 41.300 42.097 -0.797 18046 4391 1 8 . 1 1 38 38 ASP H H 38 8.676 8.676 7.826 0.850 18046 4392 1 8 . 1 1 39 39 GLN N N 39 110.693 110.693 114.209 -3.516 18046 4393 1 8 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.477 0.013 18046 4394 1 8 . 1 1 39 39 GLN C C 39 173.398 173.398 174.277 -0.879 18046 4395 1 8 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.154 -0.353 18046 4396 1 8 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.325 0.875 18046 4397 1 8 . 1 1 39 39 GLN H H 39 7.325 7.325 8.115 -0.790 18046 4398 1 8 . 1 1 40 40 ILE N N 40 120.287 120.287 122.415 -2.128 18046 4399 1 8 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.606 0.374 18046 4400 1 8 . 1 1 40 40 ILE C C 40 175.143 175.143 175.658 -0.515 18046 4401 1 8 . 1 1 40 40 ILE CA C 40 60.100 60.100 59.959 0.141 18046 4402 1 8 . 1 1 40 40 ILE CB C 40 39.700 39.700 37.204 2.496 18046 4403 1 8 . 1 1 40 40 ILE H H 40 8.663 8.663 8.610 0.053 18046 4404 1 8 . 1 1 41 41 PHE N N 41 124.653 124.653 126.503 -1.850 18046 4405 1 8 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.927 0.563 18046 4406 1 8 . 1 1 41 41 PHE C C 41 174.167 174.167 175.098 -0.931 18046 4407 1 8 . 1 1 41 41 PHE CA C 41 57.400 57.400 56.762 0.638 18046 4408 1 8 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.244 1.956 18046 4409 1 8 . 1 1 41 41 PHE H H 41 9.555 9.555 9.247 0.308 18046 4410 1 8 . 1 1 42 42 PHE N N 42 128.681 128.681 125.193 3.488 18046 4411 1 8 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.944 0.636 18046 4412 1 8 . 1 1 42 42 PHE C C 42 172.940 172.940 174.904 -1.964 18046 4413 1 8 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.907 -1.207 18046 4414 1 8 . 1 1 42 42 PHE CB C 42 41.000 41.000 39.008 1.992 18046 4415 1 8 . 1 1 42 42 PHE H H 42 9.647 9.647 8.410 1.237 18046 4416 1 8 . 1 1 43 43 TRP N N 43 128.634 128.634 126.545 2.089 18046 4417 1 8 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.839 0.441 18046 4418 1 8 . 1 1 43 43 TRP C C 43 175.877 175.877 174.636 1.241 18046 4419 1 8 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.563 1.437 18046 4420 1 8 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.985 2.215 18046 4421 1 8 . 1 1 43 43 TRP H H 43 9.997 9.997 8.784 1.213 18046 4422 1 8 . 1 1 44 44 ILE N N 44 126.166 126.166 126.577 -0.411 18046 4423 1 8 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.561 -0.411 18046 4424 1 8 . 1 1 44 44 ILE C C 44 175.190 175.190 175.582 -0.392 18046 4425 1 8 . 1 1 44 44 ILE CA C 44 60.500 60.500 58.688 1.812 18046 4426 1 8 . 1 1 44 44 ILE CB C 44 39.300 39.300 38.477 0.823 18046 4427 1 8 . 1 1 44 44 ILE H H 44 8.359 8.359 7.853 0.506 18046 4428 1 8 . 1 1 45 45 GLY N N 45 119.260 119.260 114.240 5.020 18046 4429 1 8 . 1 1 45 45 GLY C C 45 176.163 176.163 174.504 1.659 18046 4430 1 8 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.776 1.824 18046 4431 1 8 . 1 1 45 45 GLY H H 45 7.603 7.603 8.210 -0.607 18046 4432 1 8 . 1 1 46 46 LYS N N 46 124.868 124.868 119.448 5.420 18046 4433 1 8 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.397 -0.327 18046 4434 1 8 . 1 1 46 46 LYS C C 46 177.700 177.700 177.463 0.237 18046 4435 1 8 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.507 1.693 18046 4436 1 8 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.272 -0.871 18046 4437 1 8 . 1 1 46 46 LYS H H 46 9.104 9.104 8.298 0.806 18046 4438 1 8 . 1 1 47 47 GLY N N 47 106.230 106.230 107.076 -0.846 18046 4439 1 8 . 1 1 47 47 GLY C C 47 175.326 175.326 174.084 1.242 18046 4440 1 8 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.198 -0.998 18046 4441 1 8 . 1 1 47 47 GLY H H 47 8.954 8.954 8.255 0.699 18046 4442 1 8 . 1 1 48 48 ALA N N 48 125.925 125.925 123.358 2.567 18046 4443 1 8 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.196 0.424 18046 4444 1 8 . 1 1 48 48 ALA C C 48 177.829 177.829 177.513 0.316 18046 4445 1 8 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.428 0.272 18046 4446 1 8 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.770 1.130 18046 4447 1 8 . 1 1 48 48 ALA H H 48 7.484 7.484 7.889 -0.405 18046 4448 1 8 . 1 1 49 49 ASN N N 49 119.683 119.683 123.372 -3.689 18046 4449 1 8 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.574 0.526 18046 4450 1 8 . 1 1 49 49 ASN C C 49 175.874 175.874 176.964 -1.090 18046 4451 1 8 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.383 -1.783 18046 4452 1 8 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.270 1.730 18046 4453 1 8 . 1 1 49 49 ASN H H 49 8.921 8.921 8.272 0.649 18046 4454 1 8 . 1 1 50 50 GLU N N 50 118.057 118.057 120.624 -2.567 18046 4455 1 8 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.072 -0.072 18046 4456 1 8 . 1 1 50 50 GLU C C 50 178.722 178.722 178.295 0.427 18046 4457 1 8 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.674 -0.074 18046 4458 1 8 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.617 -0.017 18046 4459 1 8 . 1 1 50 50 GLU H H 50 8.828 8.828 8.909 -0.081 18046 4460 1 8 . 1 1 51 51 SER N N 51 115.397 115.397 114.799 0.598 18046 4461 1 8 . 1 1 51 51 SER HA H 51 4.350 4.350 4.207 0.143 18046 4462 1 8 . 1 1 51 51 SER C C 51 177.932 177.932 176.369 1.563 18046 4463 1 8 . 1 1 51 51 SER CA C 51 61.800 61.800 61.566 0.234 18046 4464 1 8 . 1 1 51 51 SER CB C 51 62.700 62.700 63.009 -0.309 18046 4465 1 8 . 1 1 51 51 SER H H 51 8.401 8.401 8.384 0.017 18046 4466 1 8 . 1 1 52 52 GLU N N 52 122.271 122.271 122.051 0.220 18046 4467 1 8 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.104 -0.004 18046 4468 1 8 . 1 1 52 52 GLU C C 52 177.665 177.665 178.508 -0.843 18046 4469 1 8 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.808 -0.608 18046 4470 1 8 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.935 -0.535 18046 4471 1 8 . 1 1 52 52 GLU H H 52 8.566 8.566 8.363 0.203 18046 4472 1 8 . 1 1 53 53 LYS N N 53 119.319 119.319 118.331 0.988 18046 4473 1 8 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.958 0.082 18046 4474 1 8 . 1 1 53 53 LYS C C 53 178.727 178.727 178.455 0.272 18046 4475 1 8 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.179 1.721 18046 4476 1 8 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.186 0.414 18046 4477 1 8 . 1 1 53 53 LYS H H 53 7.704 7.704 7.541 0.163 18046 4478 1 8 . 1 1 54 54 GLU N N 54 119.268 119.268 118.910 0.358 18046 4479 1 8 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.128 -0.068 18046 4480 1 8 . 1 1 54 54 GLU C C 54 179.211 179.211 178.337 0.874 18046 4481 1 8 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.017 0.482 18046 4482 1 8 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.738 0.162 18046 4483 1 8 . 1 1 54 54 GLU H H 54 8.173 8.173 7.351 0.822 18046 4484 1 8 . 1 1 55 55 ALA N N 55 121.311 121.311 121.970 -0.659 18046 4485 1 8 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.825 0.125 18046 4486 1 8 . 1 1 55 55 ALA C C 55 180.920 180.920 179.369 1.551 18046 4487 1 8 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.722 -0.222 18046 4488 1 8 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.168 -1.368 18046 4489 1 8 . 1 1 55 55 ALA H H 55 7.954 7.954 8.454 -0.500 18046 4490 1 8 . 1 1 56 56 ALA N N 56 123.395 123.395 119.505 3.890 18046 4491 1 8 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.140 -0.120 18046 4492 1 8 . 1 1 56 56 ALA C C 56 178.383 178.383 178.986 -0.603 18046 4493 1 8 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.586 0.814 18046 4494 1 8 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.300 1.300 18046 4495 1 8 . 1 1 56 56 ALA H H 56 8.393 8.393 8.142 0.251 18046 4496 1 8 . 1 1 57 57 ALA N N 57 120.754 120.754 120.979 -0.225 18046 4497 1 8 . 1 1 57 57 ALA HA H 57 3.920 3.920 4.035 -0.115 18046 4498 1 8 . 1 1 57 57 ALA C C 57 180.433 180.433 179.954 0.479 18046 4499 1 8 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.817 0.883 18046 4500 1 8 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.389 -0.689 18046 4501 1 8 . 1 1 57 57 ALA H H 57 7.690 7.690 7.372 0.318 18046 4502 1 8 . 1 1 58 58 GLU N N 58 118.337 118.337 118.752 -0.415 18046 4503 1 8 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.076 0.024 18046 4504 1 8 . 1 1 58 58 GLU C C 58 179.210 179.210 179.119 0.091 18046 4505 1 8 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.415 -0.215 18046 4506 1 8 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.876 -0.576 18046 4507 1 8 . 1 1 58 58 GLU H H 58 7.423 7.423 7.913 -0.490 18046 4508 1 8 . 1 1 59 59 THR N N 59 118.744 118.744 116.009 2.735 18046 4509 1 8 . 1 1 59 59 THR HA H 59 3.860 3.860 3.970 -0.110 18046 4510 1 8 . 1 1 59 59 THR C C 59 175.722 175.722 176.025 -0.303 18046 4511 1 8 . 1 1 59 59 THR CA C 59 67.420 67.420 66.303 1.117 18046 4512 1 8 . 1 1 59 59 THR CB C 59 68.590 68.590 68.720 -0.130 18046 4513 1 8 . 1 1 59 59 THR H H 59 8.354 8.354 8.450 -0.096 18046 4514 1 8 . 1 1 60 60 ALA N N 60 122.991 122.991 122.845 0.146 18046 4515 1 8 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.691 0.039 18046 4516 1 8 . 1 1 60 60 ALA C C 60 178.155 178.155 179.298 -1.143 18046 4517 1 8 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.909 0.791 18046 4518 1 8 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.143 -0.343 18046 4519 1 8 . 1 1 60 60 ALA H H 60 8.294 8.294 7.432 0.862 18046 4520 1 8 . 1 1 61 61 GLN N N 61 113.649 113.649 116.986 -3.337 18046 4521 1 8 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.911 0.079 18046 4522 1 8 . 1 1 61 61 GLN C C 61 178.640 178.640 178.172 0.468 18046 4523 1 8 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.665 -0.745 18046 4524 1 8 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.134 0.325 18046 4525 1 8 . 1 1 61 61 GLN H H 61 7.215 7.215 8.148 -0.933 18046 4526 1 8 . 1 1 62 62 GLU N N 62 120.684 120.684 118.562 2.122 18046 4527 1 8 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.010 0.030 18046 4528 1 8 . 1 1 62 62 GLU C C 62 179.047 179.047 178.961 0.086 18046 4529 1 8 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.333 -0.133 18046 4530 1 8 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.274 0.026 18046 4531 1 8 . 1 1 62 62 GLU H H 62 8.126 8.126 7.817 0.309 18046 4532 1 8 . 1 1 63 63 TYR N N 63 122.118 122.118 120.310 1.808 18046 4533 1 8 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.197 0.033 18046 4534 1 8 . 1 1 63 63 TYR C C 63 178.643 178.643 178.075 0.568 18046 4535 1 8 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.912 -0.812 18046 4536 1 8 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.602 -0.802 18046 4537 1 8 . 1 1 63 63 TYR H H 63 8.796 8.796 7.726 1.070 18046 4538 1 8 . 1 1 64 64 LEU N N 64 119.163 119.163 119.816 -0.653 18046 4539 1 8 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.905 -0.225 18046 4540 1 8 . 1 1 64 64 LEU C C 64 178.475 178.475 179.314 -0.839 18046 4541 1 8 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.133 -0.133 18046 4542 1 8 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.544 1.956 18046 4543 1 8 . 1 1 64 64 LEU H H 64 7.799 7.799 7.782 0.017 18046 4544 1 8 . 1 1 65 65 ARG N N 65 116.868 116.868 115.718 1.150 18046 4545 1 8 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.031 0.039 18046 4546 1 8 . 1 1 65 65 ARG C C 65 177.464 177.464 177.206 0.258 18046 4547 1 8 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.296 0.304 18046 4548 1 8 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.959 0.841 18046 4549 1 8 . 1 1 65 65 ARG H H 65 7.842 7.842 7.694 0.148 18046 4550 1 8 . 1 1 66 66 SER N N 66 112.527 112.527 113.089 -0.562 18046 4551 1 8 . 1 1 66 66 SER HA H 66 4.360 4.360 4.215 0.145 18046 4552 1 8 . 1 1 66 66 SER C C 66 174.087 174.087 175.053 -0.966 18046 4553 1 8 . 1 1 66 66 SER CA C 66 59.440 59.440 59.837 -0.397 18046 4554 1 8 . 1 1 66 66 SER CB C 66 64.120 64.120 63.336 0.784 18046 4555 1 8 . 1 1 66 66 SER H H 66 7.907 7.907 7.599 0.308 18046 4556 1 8 . 1 1 67 67 HIS N N 67 123.090 123.090 122.170 0.920 18046 4557 1 8 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.827 -0.167 18046 4558 1 8 . 1 1 67 67 HIS CA C 67 55.400 55.400 52.835 2.565 18046 4559 1 8 . 1 1 67 67 HIS CB C 67 29.600 29.600 29.553 0.047 18046 4560 1 8 . 1 1 67 67 HIS H H 67 7.515 7.515 7.469 0.046 18046 4561 1 8 . 1 1 68 68 PRO C C 68 176.365 176.365 177.045 -0.680 18046 4562 1 8 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.512 5.848 18046 4563 1 8 . 1 1 69 69 GLY N N 69 124.202 124.202 105.345 18.857 18046 4564 1 8 . 1 1 69 69 GLY C C 69 174.331 174.331 173.344 0.987 18046 4565 1 8 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.679 1.021 18046 4566 1 8 . 1 1 69 69 GLY H H 69 8.166 8.166 8.139 0.027 18046 4567 1 8 . 1 1 70 70 SER N N 70 115.467 115.467 116.417 -0.950 18046 4568 1 8 . 1 1 70 70 SER HA H 70 4.450 4.450 4.581 -0.131 18046 4569 1 8 . 1 1 70 70 SER C C 70 174.329 174.329 175.789 -1.460 18046 4570 1 8 . 1 1 70 70 SER CA C 70 58.640 58.640 58.940 -0.300 18046 4571 1 8 . 1 1 70 70 SER CB C 70 63.040 63.040 64.511 -1.472 18046 4572 1 8 . 1 1 70 70 SER H H 70 8.280 8.280 8.660 -0.380 18046 4573 1 8 . 1 1 71 71 ARG N N 71 120.585 120.585 120.925 -0.340 18046 4574 1 8 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.559 -0.329 18046 4575 1 8 . 1 1 71 71 ARG C C 71 175.793 175.793 175.802 -0.009 18046 4576 1 8 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.554 -0.455 18046 4577 1 8 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.420 0.980 18046 4578 1 8 . 1 1 71 71 ARG H H 71 8.341 8.341 8.379 -0.038 18046 4579 1 8 . 1 1 72 72 ASP N N 72 120.258 120.258 118.026 2.232 18046 4580 1 8 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.363 0.077 18046 4581 1 8 . 1 1 72 72 ASP C C 72 178.038 178.038 176.878 1.160 18046 4582 1 8 . 1 1 72 72 ASP CA C 72 54.530 54.530 57.090 -2.560 18046 4583 1 8 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.326 0.444 18046 4584 1 8 . 1 1 72 72 ASP H H 72 8.471 8.471 8.286 0.185 18046 4585 1 8 . 1 1 73 73 LEU N N 73 127.518 127.518 116.188 11.330 18046 4586 1 8 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.230 -0.140 18046 4587 1 8 . 1 1 73 73 LEU C C 73 177.417 177.417 177.276 0.141 18046 4588 1 8 . 1 1 73 73 LEU CA C 73 57.000 57.000 56.136 0.864 18046 4589 1 8 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.605 -1.605 18046 4590 1 8 . 1 1 73 73 LEU H H 73 8.826 8.826 7.772 1.054 18046 4591 1 8 . 1 1 74 74 ASP N N 74 117.787 117.787 116.211 1.576 18046 4592 1 8 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.541 0.199 18046 4593 1 8 . 1 1 74 74 ASP C C 74 175.765 175.765 176.740 -0.975 18046 4594 1 8 . 1 1 74 74 ASP CA C 74 53.900 53.900 55.258 -1.358 18046 4595 1 8 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.787 -0.317 18046 4596 1 8 . 1 1 74 74 ASP H H 74 8.480 8.480 8.142 0.338 18046 4597 1 8 . 1 1 75 75 THR N N 75 119.682 119.682 118.036 1.646 18046 4598 1 8 . 1 1 75 75 THR HA H 75 4.210 4.210 4.407 -0.197 18046 4599 1 8 . 1 1 75 75 THR CA C 75 62.440 62.440 61.357 1.083 18046 4600 1 8 . 1 1 75 75 THR CB C 75 70.940 70.940 68.929 2.011 18046 4601 1 8 . 1 1 75 75 THR H H 75 7.303 7.303 7.697 -0.394 18046 4602 1 8 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.402 -0.162 18046 4603 1 8 . 1 1 76 76 PRO C C 76 174.823 174.823 175.729 -0.906 18046 4604 1 8 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.529 1.071 18046 4605 1 8 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.252 0.848 18046 4606 1 8 . 1 1 77 77 ILE N N 77 121.906 121.906 120.543 1.363 18046 4607 1 8 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.926 1.064 18046 4608 1 8 . 1 1 77 77 ILE C C 77 176.571 176.571 176.475 0.096 18046 4609 1 8 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.401 -0.901 18046 4610 1 8 . 1 1 77 77 ILE CB C 77 38.100 38.100 39.617 -1.517 18046 4611 1 8 . 1 1 77 77 ILE H H 77 8.052 8.052 7.897 0.155 18046 4612 1 8 . 1 1 78 78 ILE N N 78 130.054 130.054 127.980 2.074 18046 4613 1 8 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.033 0.267 18046 4614 1 8 . 1 1 78 78 ILE C C 78 175.471 175.471 175.160 0.311 18046 4615 1 8 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.914 -1.114 18046 4616 1 8 . 1 1 78 78 ILE CB C 78 39.300 39.300 37.246 2.054 18046 4617 1 8 . 1 1 78 78 ILE H H 78 8.977 8.977 8.243 0.734 18046 4618 1 8 . 1 1 79 79 VAL N N 79 130.072 130.072 127.952 2.120 18046 4619 1 8 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.972 0.718 18046 4620 1 8 . 1 1 79 79 VAL C C 79 176.024 176.024 175.793 0.231 18046 4621 1 8 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.372 0.528 18046 4622 1 8 . 1 1 79 79 VAL CB C 79 31.700 31.700 32.213 -0.513 18046 4623 1 8 . 1 1 79 79 VAL H H 79 8.872 8.872 8.026 0.846 18046 4624 1 8 . 1 1 80 80 VAL N N 80 129.055 129.055 126.879 2.176 18046 4625 1 8 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.297 0.123 18046 4626 1 8 . 1 1 80 80 VAL C C 80 173.028 173.028 174.602 -1.574 18046 4627 1 8 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.727 -0.728 18046 4628 1 8 . 1 1 80 80 VAL CB C 80 35.400 35.400 33.930 1.470 18046 4629 1 8 . 1 1 80 80 VAL H H 80 9.608 9.608 8.249 1.359 18046 4630 1 8 . 1 1 81 81 LYS N N 81 123.854 123.854 123.696 0.158 18046 4631 1 8 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.742 -0.572 18046 4632 1 8 . 1 1 81 81 LYS C C 81 175.225 175.225 175.962 -0.737 18046 4633 1 8 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.774 0.326 18046 4634 1 8 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.852 -0.652 18046 4635 1 8 . 1 1 81 81 LYS H H 81 8.441 8.441 8.357 0.084 18046 4636 1 8 . 1 1 82 82 GLN N N 82 121.237 121.237 121.214 0.023 18046 4637 1 8 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.076 -0.116 18046 4638 1 8 . 1 1 82 82 GLN C C 82 177.016 177.016 176.286 0.730 18046 4639 1 8 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.991 -0.491 18046 4640 1 8 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.954 0.146 18046 4641 1 8 . 1 1 82 82 GLN H H 82 6.493 6.493 8.757 -2.264 18046 4642 1 8 . 1 1 83 83 GLY N N 83 118.629 118.629 112.797 5.832 18046 4643 1 8 . 1 1 83 83 GLY C C 83 174.491 174.491 173.543 0.948 18046 4644 1 8 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.245 1.155 18046 4645 1 8 . 1 1 83 83 GLY H H 83 10.072 10.072 8.121 1.951 18046 4646 1 8 . 1 1 84 84 PHE N N 84 120.834 120.834 120.043 0.791 18046 4647 1 8 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.630 0.280 18046 4648 1 8 . 1 1 84 84 PHE C C 84 177.056 177.056 174.337 2.719 18046 4649 1 8 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.250 -0.750 18046 4650 1 8 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.873 -2.173 18046 4651 1 8 . 1 1 84 84 PHE H H 84 8.431 8.431 7.277 1.154 18046 4652 1 8 . 1 1 85 85 GLU N N 85 125.174 125.174 126.061 -0.887 18046 4653 1 8 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.719 -0.609 18046 4654 1 8 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.675 4.205 18046 4655 1 8 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.499 -3.329 18046 4656 1 8 . 1 1 85 85 GLU H H 85 10.207 10.207 8.545 1.662 18046 4657 1 8 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.483 0.267 18046 4658 1 8 . 1 1 87 87 PRO C C 87 178.401 178.401 177.953 0.448 18046 4659 1 8 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.850 -0.350 18046 4660 1 8 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.941 -0.541 18046 4661 1 8 . 1 1 88 88 THR N N 88 107.088 107.088 112.212 -5.124 18046 4662 1 8 . 1 1 88 88 THR HA H 88 4.080 4.080 4.021 0.059 18046 4663 1 8 . 1 1 88 88 THR C C 88 174.325 174.325 175.710 -1.385 18046 4664 1 8 . 1 1 88 88 THR CA C 88 63.200 63.200 64.940 -1.740 18046 4665 1 8 . 1 1 88 88 THR CB C 88 68.300 68.300 68.168 0.132 18046 4666 1 8 . 1 1 88 88 THR H H 88 7.316 7.316 8.111 -0.795 18046 4667 1 8 . 1 1 89 89 PHE N N 89 119.031 119.031 122.269 -3.238 18046 4668 1 8 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.973 -0.053 18046 4669 1 8 . 1 1 89 89 PHE C C 89 175.661 175.661 177.316 -1.655 18046 4670 1 8 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.914 -0.915 18046 4671 1 8 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.858 2.202 18046 4672 1 8 . 1 1 89 89 PHE H H 89 7.437 7.437 7.917 -0.480 18046 4673 1 8 . 1 1 90 90 THR N N 90 107.216 107.216 116.370 -9.154 18046 4674 1 8 . 1 1 90 90 THR HA H 90 3.210 3.210 3.284 -0.074 18046 4675 1 8 . 1 1 90 90 THR C C 90 177.340 177.340 176.647 0.693 18046 4676 1 8 . 1 1 90 90 THR CA C 90 65.000 65.000 67.422 -2.422 18046 4677 1 8 . 1 1 90 90 THR CB C 90 68.200 68.200 67.799 0.401 18046 4678 1 8 . 1 1 90 90 THR H H 90 7.675 7.675 7.950 -0.275 18046 4679 1 8 . 1 1 91 91 GLY N N 91 106.674 106.674 109.116 -2.442 18046 4680 1 8 . 1 1 91 91 GLY C C 91 174.591 174.591 174.730 -0.139 18046 4681 1 8 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.760 0.540 18046 4682 1 8 . 1 1 91 91 GLY H H 91 7.865 7.865 7.380 0.485 18046 4683 1 8 . 1 1 92 92 TRP N N 92 117.951 117.951 118.895 -0.944 18046 4684 1 8 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.300 0.190 18046 4685 1 8 . 1 1 92 92 TRP C C 92 174.042 174.042 175.880 -1.838 18046 4686 1 8 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.881 0.589 18046 4687 1 8 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.211 0.419 18046 4688 1 8 . 1 1 92 92 TRP H H 92 7.018 7.018 7.178 -0.160 18046 4689 1 8 . 1 1 93 93 PHE N N 93 118.863 118.863 115.361 3.502 18046 4690 1 8 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.329 0.281 18046 4691 1 8 . 1 1 93 93 PHE C C 93 175.872 175.872 176.918 -1.046 18046 4692 1 8 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.476 0.424 18046 4693 1 8 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.297 0.503 18046 4694 1 8 . 1 1 93 93 PHE H H 93 7.956 7.956 7.704 0.252 18046 4695 1 8 . 1 1 94 94 MET N N 94 121.781 121.781 118.857 2.924 18046 4696 1 8 . 1 1 94 94 MET HA H 94 4.200 4.200 4.248 -0.048 18046 4697 1 8 . 1 1 94 94 MET C C 94 175.794 175.794 176.241 -0.447 18046 4698 1 8 . 1 1 94 94 MET CA C 94 57.900 57.900 55.301 2.599 18046 4699 1 8 . 1 1 94 94 MET CB C 94 32.300 32.300 32.026 0.274 18046 4700 1 8 . 1 1 94 94 MET H H 94 8.825 8.825 8.669 0.156 18046 4701 1 8 . 1 1 95 95 ALA N N 95 120.648 120.648 122.475 -1.827 18046 4702 1 8 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.384 0.056 18046 4703 1 8 . 1 1 95 95 ALA C C 95 175.600 175.600 176.615 -1.015 18046 4704 1 8 . 1 1 95 95 ALA CA C 95 51.800 51.800 51.070 0.730 18046 4705 1 8 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.656 2.144 18046 4706 1 8 . 1 1 95 95 ALA H H 95 8.037 8.037 7.612 0.425 18046 4707 1 8 . 1 1 96 96 TRP N N 96 121.009 121.009 123.739 -2.730 18046 4708 1 8 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.374 -0.164 18046 4709 1 8 . 1 1 96 96 TRP C C 96 174.409 174.409 176.132 -1.723 18046 4710 1 8 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.645 0.155 18046 4711 1 8 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.967 0.533 18046 4712 1 8 . 1 1 96 96 TRP H H 96 8.481 8.481 8.393 0.088 18046 4713 1 8 . 1 1 97 97 ASP N N 97 128.963 128.963 121.091 7.872 18046 4714 1 8 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.131 -0.041 18046 4715 1 8 . 1 1 97 97 ASP CA C 97 49.560 49.560 51.016 -1.456 18046 4716 1 8 . 1 1 97 97 ASP CB C 97 42.530 42.530 42.929 -0.399 18046 4717 1 8 . 1 1 97 97 ASP H H 97 8.850 8.850 8.859 -0.009 18046 4718 1 8 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.547 -0.037 18046 4719 1 8 . 1 1 98 98 PRO C C 98 177.169 177.169 177.410 -0.241 18046 4720 1 8 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.192 0.008 18046 4721 1 8 . 1 1 98 98 PRO CB C 98 32.570 32.570 32.069 0.501 18046 4722 1 8 . 1 1 99 99 LEU N N 99 118.381 118.381 119.381 -1.000 18046 4723 1 8 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.493 0.037 18046 4724 1 8 . 1 1 99 99 LEU C C 99 177.338 177.338 178.161 -0.823 18046 4725 1 8 . 1 1 99 99 LEU CA C 99 54.550 54.550 55.075 -0.525 18046 4726 1 8 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.398 -0.648 18046 4727 1 8 . 1 1 99 99 LEU H H 99 8.372 8.372 7.739 0.633 18046 4728 1 8 . 1 1 100 100 CYS N N 100 119.396 119.396 118.685 0.711 18046 4729 1 8 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.199 -0.589 18046 4730 1 8 . 1 1 100 100 CYS C C 100 174.820 174.820 174.873 -0.053 18046 4731 1 8 . 1 1 100 100 CYS CA C 100 61.500 61.500 61.198 0.302 18046 4732 1 8 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.472 0.828 18046 4733 1 8 . 1 1 100 100 CYS H H 100 7.052 7.052 8.063 -1.011 18046 4734 1 8 . 1 1 101 101 TRP N N 101 115.737 115.737 120.995 -5.258 18046 4735 1 8 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.696 0.084 18046 4736 1 8 . 1 1 101 101 TRP C C 101 176.485 176.485 176.590 -0.105 18046 4737 1 8 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.392 1.508 18046 4738 1 8 . 1 1 101 101 TRP CB C 101 28.100 28.100 29.073 -0.973 18046 4739 1 8 . 1 1 101 101 TRP H H 101 7.625 7.625 7.883 -0.258 18046 4740 1 8 . 1 1 102 102 SER N N 102 115.896 115.896 115.730 0.166 18046 4741 1 8 . 1 1 102 102 SER HA H 102 4.520 4.520 4.250 0.270 18046 4742 1 8 . 1 1 102 102 SER C C 102 174.333 174.333 175.291 -0.958 18046 4743 1 8 . 1 1 102 102 SER CA C 102 59.200 59.200 61.528 -2.328 18046 4744 1 8 . 1 1 102 102 SER CB C 102 64.100 64.100 62.954 1.146 18046 4745 1 8 . 1 1 102 102 SER H H 102 7.916 7.916 7.771 0.145 18046 4746 1 8 . 1 1 103 103 ASP N N 103 122.262 122.262 120.584 1.678 18046 4747 1 8 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.820 -0.160 18046 4748 1 8 . 1 1 103 103 ASP C C 103 176.129 176.129 178.381 -2.252 18046 4749 1 8 . 1 1 103 103 ASP CA C 103 54.700 54.700 56.394 -1.694 18046 4750 1 8 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.167 -0.168 18046 4751 1 8 . 1 1 103 103 ASP H H 103 8.450 8.450 7.795 0.655 18046 4752 1 8 . 1 1 104 104 ARG N N 104 120.795 120.795 119.231 1.564 18046 4753 1 8 . 1 1 104 104 ARG HA H 104 4.330 4.330 4.076 0.254 18046 4754 1 8 . 1 1 104 104 ARG C C 104 176.283 176.283 177.971 -1.688 18046 4755 1 8 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.525 -2.325 18046 4756 1 8 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.778 0.972 18046 4757 1 8 . 1 1 104 104 ARG H H 104 8.117 8.117 8.417 -0.300 18046 4758 1 8 . 1 1 105 105 LYS N N 105 122.131 122.131 116.869 5.262 18046 4759 1 8 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.354 -0.009 18046 4760 1 8 . 1 1 105 105 LYS C C 105 176.284 176.284 176.524 -0.240 18046 4761 1 8 . 1 1 105 105 LYS CA C 105 56.300 56.300 57.077 -0.777 18046 4762 1 8 . 1 1 105 105 LYS CB C 105 33.100 33.100 33.146 -0.046 18046 4763 1 8 . 1 1 105 105 LYS H H 105 8.294 8.294 7.702 0.592 18046 4764 1 8 . 1 1 106 106 SER N N 106 116.993 116.993 115.080 1.913 18046 4765 1 8 . 1 1 106 106 SER HA H 106 4.470 4.470 4.558 -0.088 18046 4766 1 8 . 1 1 106 106 SER CA C 106 58.300 58.300 57.575 0.725 18046 4767 1 8 . 1 1 106 106 SER CB C 106 64.200 64.200 64.570 -0.370 18046 4768 1 8 . 1 1 106 106 SER H H 106 8.235 8.235 7.715 0.520 18046 4769 1 9 . 1 1 2 2 ARG N N 2 117.203 117.203 118.671 -1.468 18046 4770 1 9 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.363 0.687 18046 4771 1 9 . 1 1 2 2 ARG C C 2 172.726 172.726 174.457 -1.731 18046 4772 1 9 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.688 0.512 18046 4773 1 9 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.805 -2.905 18046 4774 1 9 . 1 1 2 2 ARG H H 2 8.108 8.108 7.619 0.489 18046 4775 1 9 . 1 1 3 3 LEU N N 3 125.261 125.261 120.214 5.047 18046 4776 1 9 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.850 0.370 18046 4777 1 9 . 1 1 3 3 LEU C C 3 174.166 174.166 175.621 -1.455 18046 4778 1 9 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.466 -0.466 18046 4779 1 9 . 1 1 3 3 LEU CB C 3 45.400 45.400 44.577 0.823 18046 4780 1 9 . 1 1 3 3 LEU H H 3 8.542 8.542 8.176 0.366 18046 4781 1 9 . 1 1 4 4 PHE N N 4 123.490 123.490 116.180 7.310 18046 4782 1 9 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.809 0.291 18046 4783 1 9 . 1 1 4 4 PHE C C 4 174.820 174.820 174.556 0.264 18046 4784 1 9 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.204 -0.914 18046 4785 1 9 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.832 0.518 18046 4786 1 9 . 1 1 4 4 PHE H H 4 9.591 9.591 8.635 0.956 18046 4787 1 9 . 1 1 5 5 GLU N N 5 125.718 125.718 125.306 0.412 18046 4788 1 9 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.910 -0.890 18046 4789 1 9 . 1 1 5 5 GLU C C 5 174.892 174.892 175.958 -1.066 18046 4790 1 9 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.539 -0.439 18046 4791 1 9 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.363 2.487 18046 4792 1 9 . 1 1 5 5 GLU H H 5 9.484 9.484 8.577 0.907 18046 4793 1 9 . 1 1 6 6 CYS N N 6 127.915 127.915 126.272 1.643 18046 4794 1 9 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.089 -0.069 18046 4795 1 9 . 1 1 6 6 CYS C C 6 172.378 172.378 173.934 -1.556 18046 4796 1 9 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.003 0.997 18046 4797 1 9 . 1 1 6 6 CYS CB C 6 29.300 29.300 28.010 1.290 18046 4798 1 9 . 1 1 6 6 CYS H H 6 8.937 8.937 8.270 0.667 18046 4799 1 9 . 1 1 7 7 SER N N 7 113.574 113.574 119.002 -5.428 18046 4800 1 9 . 1 1 7 7 SER HA H 7 5.420 5.420 4.897 0.523 18046 4801 1 9 . 1 1 7 7 SER C C 7 175.632 175.632 172.775 2.857 18046 4802 1 9 . 1 1 7 7 SER CA C 7 55.400 55.400 56.761 -1.361 18046 4803 1 9 . 1 1 7 7 SER CB C 7 65.900 65.900 66.241 -0.341 18046 4804 1 9 . 1 1 7 7 SER H H 7 7.873 7.873 8.216 -0.343 18046 4805 1 9 . 1 1 8 8 ASN N N 8 126.153 126.153 121.767 4.386 18046 4806 1 9 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.133 0.507 18046 4807 1 9 . 1 1 8 8 ASN C C 8 178.392 178.392 175.769 2.623 18046 4808 1 9 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.518 -1.018 18046 4809 1 9 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.216 -1.116 18046 4810 1 9 . 1 1 8 8 ASN H H 8 10.299 10.299 8.659 1.640 18046 4811 1 9 . 1 1 9 9 LYS N N 9 123.420 123.420 123.553 -0.133 18046 4812 1 9 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.168 0.062 18046 4813 1 9 . 1 1 9 9 LYS C C 9 177.891 177.891 177.299 0.592 18046 4814 1 9 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.098 0.702 18046 4815 1 9 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.825 -0.925 18046 4816 1 9 . 1 1 9 9 LYS H H 9 9.064 9.064 8.489 0.575 18046 4817 1 9 . 1 1 10 10 THR N N 10 110.292 110.292 108.527 1.765 18046 4818 1 9 . 1 1 10 10 THR HA H 10 4.480 4.480 4.471 0.009 18046 4819 1 9 . 1 1 10 10 THR C C 10 175.392 175.392 175.795 -0.403 18046 4820 1 9 . 1 1 10 10 THR CA C 10 63.100 63.100 62.363 0.737 18046 4821 1 9 . 1 1 10 10 THR CB C 10 70.100 70.100 70.009 0.091 18046 4822 1 9 . 1 1 10 10 THR H H 10 8.525 8.525 7.887 0.638 18046 4823 1 9 . 1 1 11 11 GLY N N 11 110.668 110.668 110.170 0.498 18046 4824 1 9 . 1 1 11 11 GLY C C 11 172.867 172.867 173.634 -0.767 18046 4825 1 9 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.113 -0.413 18046 4826 1 9 . 1 1 11 11 GLY H H 11 8.266 8.266 8.108 0.158 18046 4827 1 9 . 1 1 12 12 ARG N N 12 118.170 118.170 120.281 -2.111 18046 4828 1 9 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.705 -0.045 18046 4829 1 9 . 1 1 12 12 ARG C C 12 173.924 173.924 174.592 -0.668 18046 4830 1 9 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.729 -0.829 18046 4831 1 9 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.920 -0.120 18046 4832 1 9 . 1 1 12 12 ARG H H 12 7.538 7.538 7.828 -0.290 18046 4833 1 9 . 1 1 13 13 PHE N N 13 121.956 121.956 123.197 -1.241 18046 4834 1 9 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.613 -0.079 18046 4835 1 9 . 1 1 13 13 PHE C C 13 174.005 174.005 174.301 -0.296 18046 4836 1 9 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.546 1.954 18046 4837 1 9 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.928 -0.928 18046 4838 1 9 . 1 1 13 13 PHE H H 13 8.926 8.926 8.630 0.296 18046 4839 1 9 . 1 1 14 14 LEU N N 14 129.824 129.824 127.160 2.664 18046 4840 1 9 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.237 0.073 18046 4841 1 9 . 1 1 14 14 LEU C C 14 173.801 173.801 174.136 -0.335 18046 4842 1 9 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.913 1.288 18046 4843 1 9 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.078 1.522 18046 4844 1 9 . 1 1 14 14 LEU H H 14 8.114 8.114 7.319 0.795 18046 4845 1 9 . 1 1 15 15 ALA N N 15 125.201 125.201 125.417 -0.216 18046 4846 1 9 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.395 1.135 18046 4847 1 9 . 1 1 15 15 ALA C C 15 177.178 177.178 176.555 0.623 18046 4848 1 9 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.351 -1.551 18046 4849 1 9 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.256 0.544 18046 4850 1 9 . 1 1 15 15 ALA H H 15 8.234 8.234 8.188 0.046 18046 4851 1 9 . 1 1 16 16 THR N N 16 119.393 119.393 118.682 0.711 18046 4852 1 9 . 1 1 16 16 THR HA H 16 4.654 4.654 4.549 0.105 18046 4853 1 9 . 1 1 16 16 THR C C 16 173.434 173.434 172.519 0.915 18046 4854 1 9 . 1 1 16 16 THR CA C 16 61.261 61.261 60.797 0.464 18046 4855 1 9 . 1 1 16 16 THR CB C 16 71.500 71.500 71.411 0.089 18046 4856 1 9 . 1 1 16 16 THR H H 16 9.149 9.149 8.068 1.081 18046 4857 1 9 . 1 1 17 17 GLU N N 17 128.928 128.928 123.161 5.767 18046 4858 1 9 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.547 -0.157 18046 4859 1 9 . 1 1 17 17 GLU C C 17 175.799 175.799 174.981 0.818 18046 4860 1 9 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.741 2.059 18046 4861 1 9 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.827 -2.427 18046 4862 1 9 . 1 1 17 17 GLU H H 17 9.269 9.269 8.538 0.731 18046 4863 1 9 . 1 1 18 18 ILE N N 18 129.185 129.185 126.099 3.086 18046 4864 1 9 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.063 0.327 18046 4865 1 9 . 1 1 18 18 ILE C C 18 176.202 176.202 174.664 1.538 18046 4866 1 9 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.401 1.299 18046 4867 1 9 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.638 -1.538 18046 4868 1 9 . 1 1 18 18 ILE H H 18 8.814 8.814 8.328 0.486 18046 4869 1 9 . 1 1 19 19 VAL N N 19 127.068 127.068 125.842 1.226 18046 4870 1 9 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.721 0.559 18046 4871 1 9 . 1 1 19 19 VAL C C 19 175.632 175.632 176.291 -0.659 18046 4872 1 9 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.870 -1.270 18046 4873 1 9 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.156 0.344 18046 4874 1 9 . 1 1 19 19 VAL H H 19 8.600 8.600 7.964 0.636 18046 4875 1 9 . 1 1 20 20 ASP N N 20 122.793 122.793 123.468 -0.675 18046 4876 1 9 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.134 0.156 18046 4877 1 9 . 1 1 20 20 ASP C C 20 175.742 175.742 175.240 0.502 18046 4878 1 9 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.389 -0.289 18046 4879 1 9 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.927 -0.927 18046 4880 1 9 . 1 1 20 20 ASP H H 20 9.037 9.037 8.280 0.757 18046 4881 1 9 . 1 1 21 21 PHE N N 21 113.443 113.443 123.267 -9.824 18046 4882 1 9 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.678 0.132 18046 4883 1 9 . 1 1 21 21 PHE C C 21 175.062 175.062 175.305 -0.243 18046 4884 1 9 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.241 0.959 18046 4885 1 9 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.338 -0.438 18046 4886 1 9 . 1 1 21 21 PHE H H 21 6.542 6.542 7.484 -0.942 18046 4887 1 9 . 1 1 22 22 THR N N 22 112.200 112.200 111.735 0.465 18046 4888 1 9 . 1 1 22 22 THR HA H 22 4.900 4.900 4.764 0.136 18046 4889 1 9 . 1 1 22 22 THR C C 22 175.307 175.307 175.880 -0.573 18046 4890 1 9 . 1 1 22 22 THR CA C 22 60.400 60.400 60.337 0.063 18046 4891 1 9 . 1 1 22 22 THR CB C 22 73.300 73.300 71.664 1.636 18046 4892 1 9 . 1 1 22 22 THR H H 22 9.640 9.640 8.398 1.242 18046 4893 1 9 . 1 1 23 23 GLN N N 23 122.406 122.406 119.868 2.538 18046 4894 1 9 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.094 -0.414 18046 4895 1 9 . 1 1 23 23 GLN C C 23 176.527 176.527 177.124 -0.597 18046 4896 1 9 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.502 0.498 18046 4897 1 9 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.181 -0.581 18046 4898 1 9 . 1 1 23 23 GLN H H 23 9.766 9.766 8.768 0.998 18046 4899 1 9 . 1 1 24 24 ASP N N 24 114.153 114.153 119.948 -5.795 18046 4900 1 9 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.449 -0.349 18046 4901 1 9 . 1 1 24 24 ASP C C 24 176.528 176.528 177.328 -0.800 18046 4902 1 9 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.907 -1.006 18046 4903 1 9 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.540 0.220 18046 4904 1 9 . 1 1 24 24 ASP H H 24 7.760 7.760 7.772 -0.012 18046 4905 1 9 . 1 1 25 25 ASP N N 25 116.379 116.379 117.123 -0.744 18046 4906 1 9 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.708 -0.168 18046 4907 1 9 . 1 1 25 25 ASP C C 25 175.059 175.059 175.914 -0.855 18046 4908 1 9 . 1 1 25 25 ASP CA C 25 56.200 56.200 54.959 1.240 18046 4909 1 9 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.789 0.710 18046 4910 1 9 . 1 1 25 25 ASP H H 25 7.655 7.655 7.987 -0.332 18046 4911 1 9 . 1 1 26 26 LEU N N 26 118.095 118.095 122.879 -4.784 18046 4912 1 9 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.153 -0.873 18046 4913 1 9 . 1 1 26 26 LEU C C 26 174.177 174.177 176.515 -2.338 18046 4914 1 9 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.394 -1.494 18046 4915 1 9 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.727 -1.427 18046 4916 1 9 . 1 1 26 26 LEU H H 26 7.309 7.309 7.158 0.151 18046 4917 1 9 . 1 1 27 27 ASP N N 27 127.757 127.757 127.240 0.517 18046 4918 1 9 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.575 0.225 18046 4919 1 9 . 1 1 27 27 ASP C C 27 177.178 177.178 177.143 0.035 18046 4920 1 9 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.535 -1.035 18046 4921 1 9 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.841 1.659 18046 4922 1 9 . 1 1 27 27 ASP H H 27 8.612 8.612 8.166 0.446 18046 4923 1 9 . 1 1 28 28 GLU N N 28 124.674 124.674 120.014 4.660 18046 4924 1 9 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.244 0.146 18046 4925 1 9 . 1 1 28 28 GLU C C 28 175.019 175.019 176.591 -1.572 18046 4926 1 9 . 1 1 28 28 GLU CA C 28 57.700 57.700 59.349 -1.649 18046 4927 1 9 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.358 -0.758 18046 4928 1 9 . 1 1 28 28 GLU H H 28 8.632 8.632 8.899 -0.267 18046 4929 1 9 . 1 1 29 29 ASN N N 29 115.882 115.882 118.437 -2.555 18046 4930 1 9 . 1 1 29 29 ASN HA H 29 4.630 4.630 5.012 -0.382 18046 4931 1 9 . 1 1 29 29 ASN C C 29 175.382 175.382 173.311 2.071 18046 4932 1 9 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.945 -0.145 18046 4933 1 9 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.937 0.063 18046 4934 1 9 . 1 1 29 29 ASN H H 29 9.360 9.360 8.431 0.929 18046 4935 1 9 . 1 1 30 30 ASP N N 30 127.013 127.013 121.569 5.444 18046 4936 1 9 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.720 0.830 18046 4937 1 9 . 1 1 30 30 ASP C C 30 172.009 172.009 174.443 -2.434 18046 4938 1 9 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.322 0.878 18046 4939 1 9 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.902 -0.102 18046 4940 1 9 . 1 1 30 30 ASP H H 30 8.710 8.710 7.877 0.833 18046 4941 1 9 . 1 1 31 31 VAL N N 31 112.784 112.784 120.685 -7.901 18046 4942 1 9 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.227 1.173 18046 4943 1 9 . 1 1 31 31 VAL C C 31 173.273 173.273 175.068 -1.795 18046 4944 1 9 . 1 1 31 31 VAL CA C 31 60.000 60.000 61.886 -1.886 18046 4945 1 9 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.192 3.608 18046 4946 1 9 . 1 1 31 31 VAL H H 31 7.364 7.364 8.411 -1.047 18046 4947 1 9 . 1 1 32 32 TYR N N 32 120.917 120.917 126.199 -5.282 18046 4948 1 9 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.428 0.242 18046 4949 1 9 . 1 1 32 32 TYR C C 32 174.735 174.735 175.316 -0.581 18046 4950 1 9 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.153 1.647 18046 4951 1 9 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.259 1.841 18046 4952 1 9 . 1 1 32 32 TYR H H 32 9.698 9.698 7.904 1.794 18046 4953 1 9 . 1 1 33 33 LEU N N 33 119.790 119.790 120.130 -0.340 18046 4954 1 9 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.671 1.039 18046 4955 1 9 . 1 1 33 33 LEU C C 33 175.551 175.551 175.287 0.264 18046 4956 1 9 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.801 -2.321 18046 4957 1 9 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.700 -0.415 18046 4958 1 9 . 1 1 33 33 LEU H H 33 9.111 9.111 8.752 0.359 18046 4959 1 9 . 1 1 34 34 LEU N N 34 125.829 125.829 127.313 -1.484 18046 4960 1 9 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.038 0.372 18046 4961 1 9 . 1 1 34 34 LEU C C 34 174.819 174.819 174.809 0.010 18046 4962 1 9 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.534 -0.214 18046 4963 1 9 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.259 -0.679 18046 4964 1 9 . 1 1 34 34 LEU H H 34 9.847 9.847 8.327 1.520 18046 4965 1 9 . 1 1 35 35 ASP N N 35 126.739 126.739 128.673 -1.934 18046 4966 1 9 . 1 1 35 35 ASP HA H 35 5.140 5.140 5.038 0.102 18046 4967 1 9 . 1 1 35 35 ASP C C 35 176.690 176.690 175.359 1.331 18046 4968 1 9 . 1 1 35 35 ASP CA C 35 53.600 53.600 53.995 -0.395 18046 4969 1 9 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.032 1.168 18046 4970 1 9 . 1 1 35 35 ASP H H 35 9.740 9.740 8.674 1.066 18046 4971 1 9 . 1 1 36 36 THR N N 36 118.603 118.603 114.111 4.492 18046 4972 1 9 . 1 1 36 36 THR HA H 36 4.290 4.290 4.283 0.007 18046 4973 1 9 . 1 1 36 36 THR C C 36 175.471 175.471 174.459 1.012 18046 4974 1 9 . 1 1 36 36 THR CA C 36 60.800 60.800 59.392 1.407 18046 4975 1 9 . 1 1 36 36 THR CB C 36 68.500 68.500 70.617 -2.117 18046 4976 1 9 . 1 1 36 36 THR H H 36 8.596 8.596 7.788 0.808 18046 4977 1 9 . 1 1 37 37 TRP N N 37 122.021 122.021 122.391 -0.370 18046 4978 1 9 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.436 -0.386 18046 4979 1 9 . 1 1 37 37 TRP C C 37 177.341 177.341 176.287 1.054 18046 4980 1 9 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.296 2.504 18046 4981 1 9 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.508 -0.508 18046 4982 1 9 . 1 1 37 37 TRP H H 37 9.090 9.090 8.324 0.766 18046 4983 1 9 . 1 1 38 38 ASP N N 38 117.786 117.786 118.081 -0.295 18046 4984 1 9 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.771 -0.381 18046 4985 1 9 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.067 -0.067 18046 4986 1 9 . 1 1 38 38 ASP CB C 38 41.300 41.300 42.327 -1.027 18046 4987 1 9 . 1 1 38 38 ASP H H 38 8.676 8.676 7.759 0.917 18046 4988 1 9 . 1 1 39 39 GLN N N 39 110.693 110.693 114.422 -3.729 18046 4989 1 9 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.470 0.020 18046 4990 1 9 . 1 1 39 39 GLN C C 39 173.398 173.398 174.316 -0.918 18046 4991 1 9 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.429 -0.629 18046 4992 1 9 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.568 0.632 18046 4993 1 9 . 1 1 39 39 GLN H H 39 7.325 7.325 7.941 -0.616 18046 4994 1 9 . 1 1 40 40 ILE N N 40 120.287 120.287 122.546 -2.259 18046 4995 1 9 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.665 0.315 18046 4996 1 9 . 1 1 40 40 ILE C C 40 175.143 175.143 175.574 -0.431 18046 4997 1 9 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.507 -1.407 18046 4998 1 9 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.835 0.865 18046 4999 1 9 . 1 1 40 40 ILE H H 40 8.663 8.663 8.600 0.063 18046 5000 1 9 . 1 1 41 41 PHE N N 41 124.653 124.653 126.864 -2.211 18046 5001 1 9 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.906 0.584 18046 5002 1 9 . 1 1 41 41 PHE C C 41 174.167 174.167 175.159 -0.992 18046 5003 1 9 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.288 0.112 18046 5004 1 9 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.409 1.791 18046 5005 1 9 . 1 1 41 41 PHE H H 41 9.555 9.555 9.342 0.213 18046 5006 1 9 . 1 1 42 42 PHE N N 42 128.681 128.681 125.326 3.355 18046 5007 1 9 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.945 0.635 18046 5008 1 9 . 1 1 42 42 PHE C C 42 172.940 172.940 174.903 -1.963 18046 5009 1 9 . 1 1 42 42 PHE CA C 42 54.700 54.700 55.800 -1.100 18046 5010 1 9 . 1 1 42 42 PHE CB C 42 41.000 41.000 38.976 2.024 18046 5011 1 9 . 1 1 42 42 PHE H H 42 9.647 9.647 8.408 1.239 18046 5012 1 9 . 1 1 43 43 TRP N N 43 128.634 128.634 125.987 2.647 18046 5013 1 9 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.820 0.460 18046 5014 1 9 . 1 1 43 43 TRP C C 43 175.877 175.877 174.616 1.261 18046 5015 1 9 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.724 1.276 18046 5016 1 9 . 1 1 43 43 TRP CB C 43 32.200 32.200 30.101 2.099 18046 5017 1 9 . 1 1 43 43 TRP H H 43 9.997 9.997 8.827 1.170 18046 5018 1 9 . 1 1 44 44 ILE N N 44 126.166 126.166 126.267 -0.101 18046 5019 1 9 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.509 -0.359 18046 5020 1 9 . 1 1 44 44 ILE C C 44 175.190 175.190 175.492 -0.302 18046 5021 1 9 . 1 1 44 44 ILE CA C 44 60.500 60.500 60.293 0.207 18046 5022 1 9 . 1 1 44 44 ILE CB C 44 39.300 39.300 39.738 -0.438 18046 5023 1 9 . 1 1 44 44 ILE H H 44 8.359 8.359 7.822 0.537 18046 5024 1 9 . 1 1 45 45 GLY N N 45 119.260 119.260 114.251 5.009 18046 5025 1 9 . 1 1 45 45 GLY C C 45 176.163 176.163 174.497 1.666 18046 5026 1 9 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.745 1.855 18046 5027 1 9 . 1 1 45 45 GLY H H 45 7.603 7.603 8.169 -0.566 18046 5028 1 9 . 1 1 46 46 LYS N N 46 124.868 124.868 119.409 5.459 18046 5029 1 9 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.409 -0.339 18046 5030 1 9 . 1 1 46 46 LYS C C 46 177.700 177.700 177.432 0.268 18046 5031 1 9 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.509 1.691 18046 5032 1 9 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.289 -0.889 18046 5033 1 9 . 1 1 46 46 LYS H H 46 9.104 9.104 8.352 0.752 18046 5034 1 9 . 1 1 47 47 GLY N N 47 106.230 106.230 107.511 -1.281 18046 5035 1 9 . 1 1 47 47 GLY C C 47 175.326 175.326 174.009 1.317 18046 5036 1 9 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.324 -1.124 18046 5037 1 9 . 1 1 47 47 GLY H H 47 8.954 8.954 8.108 0.846 18046 5038 1 9 . 1 1 48 48 ALA N N 48 125.925 125.925 122.842 3.083 18046 5039 1 9 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.194 0.426 18046 5040 1 9 . 1 1 48 48 ALA C C 48 177.829 177.829 177.450 0.379 18046 5041 1 9 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.370 0.330 18046 5042 1 9 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.900 1.000 18046 5043 1 9 . 1 1 48 48 ALA H H 48 7.484 7.484 7.830 -0.346 18046 5044 1 9 . 1 1 49 49 ASN N N 49 119.683 119.683 122.730 -3.047 18046 5045 1 9 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.544 0.556 18046 5046 1 9 . 1 1 49 49 ASN C C 49 175.874 175.874 176.974 -1.100 18046 5047 1 9 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.925 -2.325 18046 5048 1 9 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.339 1.661 18046 5049 1 9 . 1 1 49 49 ASN H H 49 8.921 8.921 8.346 0.575 18046 5050 1 9 . 1 1 50 50 GLU N N 50 118.057 118.057 121.043 -2.986 18046 5051 1 9 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.096 -0.096 18046 5052 1 9 . 1 1 50 50 GLU C C 50 178.722 178.722 178.488 0.234 18046 5053 1 9 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.869 -0.269 18046 5054 1 9 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.526 0.074 18046 5055 1 9 . 1 1 50 50 GLU H H 50 8.828 8.828 8.945 -0.117 18046 5056 1 9 . 1 1 51 51 SER N N 51 115.397 115.397 114.903 0.494 18046 5057 1 9 . 1 1 51 51 SER HA H 51 4.350 4.350 4.183 0.167 18046 5058 1 9 . 1 1 51 51 SER C C 51 177.932 177.932 176.277 1.655 18046 5059 1 9 . 1 1 51 51 SER CA C 51 61.800 61.800 61.288 0.512 18046 5060 1 9 . 1 1 51 51 SER CB C 51 62.700 62.700 63.068 -0.368 18046 5061 1 9 . 1 1 51 51 SER H H 51 8.401 8.401 8.336 0.065 18046 5062 1 9 . 1 1 52 52 GLU N N 52 122.271 122.271 121.782 0.489 18046 5063 1 9 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.106 -0.006 18046 5064 1 9 . 1 1 52 52 GLU C C 52 177.665 177.665 178.450 -0.785 18046 5065 1 9 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.691 -0.491 18046 5066 1 9 . 1 1 52 52 GLU CB C 52 28.400 28.400 29.001 -0.601 18046 5067 1 9 . 1 1 52 52 GLU H H 52 8.566 8.566 8.315 0.251 18046 5068 1 9 . 1 1 53 53 LYS N N 53 119.319 119.319 118.361 0.958 18046 5069 1 9 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.965 0.075 18046 5070 1 9 . 1 1 53 53 LYS C C 53 178.727 178.727 178.450 0.277 18046 5071 1 9 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.182 1.718 18046 5072 1 9 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.173 0.427 18046 5073 1 9 . 1 1 53 53 LYS H H 53 7.704 7.704 7.559 0.145 18046 5074 1 9 . 1 1 54 54 GLU N N 54 119.268 119.268 118.938 0.330 18046 5075 1 9 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.118 -0.058 18046 5076 1 9 . 1 1 54 54 GLU C C 54 179.211 179.211 178.324 0.887 18046 5077 1 9 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.045 0.455 18046 5078 1 9 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.688 0.212 18046 5079 1 9 . 1 1 54 54 GLU H H 54 8.173 8.173 7.308 0.865 18046 5080 1 9 . 1 1 55 55 ALA N N 55 121.311 121.311 121.933 -0.622 18046 5081 1 9 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.816 0.134 18046 5082 1 9 . 1 1 55 55 ALA C C 55 180.920 180.920 179.351 1.569 18046 5083 1 9 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.702 -0.202 18046 5084 1 9 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.139 -1.339 18046 5085 1 9 . 1 1 55 55 ALA H H 55 7.954 7.954 8.346 -0.392 18046 5086 1 9 . 1 1 56 56 ALA N N 56 123.395 123.395 119.401 3.994 18046 5087 1 9 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.142 -0.122 18046 5088 1 9 . 1 1 56 56 ALA C C 56 178.383 178.383 178.939 -0.556 18046 5089 1 9 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.579 0.821 18046 5090 1 9 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.316 1.284 18046 5091 1 9 . 1 1 56 56 ALA H H 56 8.393 8.393 8.088 0.305 18046 5092 1 9 . 1 1 57 57 ALA N N 57 120.754 120.754 120.930 -0.176 18046 5093 1 9 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.900 0.020 18046 5094 1 9 . 1 1 57 57 ALA C C 57 180.433 180.433 179.544 0.889 18046 5095 1 9 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.675 1.025 18046 5096 1 9 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.543 -0.843 18046 5097 1 9 . 1 1 57 57 ALA H H 57 7.690 7.690 7.351 0.339 18046 5098 1 9 . 1 1 58 58 GLU N N 58 118.337 118.337 118.694 -0.357 18046 5099 1 9 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.097 0.003 18046 5100 1 9 . 1 1 58 58 GLU C C 58 179.210 179.210 179.106 0.104 18046 5101 1 9 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.368 -0.168 18046 5102 1 9 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.868 -0.568 18046 5103 1 9 . 1 1 58 58 GLU H H 58 7.423 7.423 7.887 -0.464 18046 5104 1 9 . 1 1 59 59 THR N N 59 118.744 118.744 116.032 2.712 18046 5105 1 9 . 1 1 59 59 THR HA H 59 3.860 3.860 3.972 -0.112 18046 5106 1 9 . 1 1 59 59 THR C C 59 175.722 175.722 176.108 -0.386 18046 5107 1 9 . 1 1 59 59 THR CA C 59 67.420 67.420 66.036 1.384 18046 5108 1 9 . 1 1 59 59 THR CB C 59 68.590 68.590 68.742 -0.152 18046 5109 1 9 . 1 1 59 59 THR H H 59 8.354 8.354 8.467 -0.113 18046 5110 1 9 . 1 1 60 60 ALA N N 60 122.991 122.991 122.792 0.199 18046 5111 1 9 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.821 -0.091 18046 5112 1 9 . 1 1 60 60 ALA C C 60 178.155 178.155 179.372 -1.217 18046 5113 1 9 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.783 0.917 18046 5114 1 9 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.167 -0.367 18046 5115 1 9 . 1 1 60 60 ALA H H 60 8.294 8.294 7.507 0.787 18046 5116 1 9 . 1 1 61 61 GLN N N 61 113.649 113.649 117.056 -3.407 18046 5117 1 9 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.913 0.077 18046 5118 1 9 . 1 1 61 61 GLN C C 61 178.640 178.640 178.269 0.371 18046 5119 1 9 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.373 -0.453 18046 5120 1 9 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.256 0.204 18046 5121 1 9 . 1 1 61 61 GLN H H 61 7.215 7.215 7.903 -0.688 18046 5122 1 9 . 1 1 62 62 GLU N N 62 120.684 120.684 118.165 2.519 18046 5123 1 9 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.038 0.002 18046 5124 1 9 . 1 1 62 62 GLU C C 62 179.047 179.047 178.142 0.905 18046 5125 1 9 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.240 -0.041 18046 5126 1 9 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.286 0.014 18046 5127 1 9 . 1 1 62 62 GLU H H 62 8.126 8.126 7.816 0.310 18046 5128 1 9 . 1 1 63 63 TYR N N 63 122.118 122.118 119.344 2.774 18046 5129 1 9 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.293 -0.063 18046 5130 1 9 . 1 1 63 63 TYR C C 63 178.643 178.643 177.706 0.937 18046 5131 1 9 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.763 -0.663 18046 5132 1 9 . 1 1 63 63 TYR CB C 63 37.800 37.800 39.070 -1.270 18046 5133 1 9 . 1 1 63 63 TYR H H 63 8.796 8.796 7.692 1.104 18046 5134 1 9 . 1 1 64 64 LEU N N 64 119.163 119.163 120.010 -0.847 18046 5135 1 9 . 1 1 64 64 LEU HA H 64 3.680 3.680 4.016 -0.336 18046 5136 1 9 . 1 1 64 64 LEU C C 64 178.475 178.475 179.204 -0.729 18046 5137 1 9 . 1 1 64 64 LEU CA C 64 58.000 58.000 57.918 0.082 18046 5138 1 9 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.421 2.079 18046 5139 1 9 . 1 1 64 64 LEU H H 64 7.799 7.799 7.804 -0.005 18046 5140 1 9 . 1 1 65 65 ARG N N 65 116.868 116.868 117.190 -0.322 18046 5141 1 9 . 1 1 65 65 ARG HA H 65 4.070 4.070 3.996 0.074 18046 5142 1 9 . 1 1 65 65 ARG C C 65 177.464 177.464 177.887 -0.423 18046 5143 1 9 . 1 1 65 65 ARG CA C 65 58.600 58.600 57.831 0.769 18046 5144 1 9 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.710 1.090 18046 5145 1 9 . 1 1 65 65 ARG H H 65 7.842 7.842 7.591 0.251 18046 5146 1 9 . 1 1 66 66 SER N N 66 112.527 112.527 113.844 -1.317 18046 5147 1 9 . 1 1 66 66 SER HA H 66 4.360 4.360 4.095 0.265 18046 5148 1 9 . 1 1 66 66 SER C C 66 174.087 174.087 174.892 -0.805 18046 5149 1 9 . 1 1 66 66 SER CA C 66 59.440 59.440 60.166 -0.727 18046 5150 1 9 . 1 1 66 66 SER CB C 66 64.120 64.120 63.428 0.692 18046 5151 1 9 . 1 1 66 66 SER H H 66 7.907 7.907 7.965 -0.058 18046 5152 1 9 . 1 1 67 67 HIS N N 67 123.090 123.090 119.281 3.809 18046 5153 1 9 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.820 -0.160 18046 5154 1 9 . 1 1 67 67 HIS CA C 67 55.400 55.400 53.604 1.796 18046 5155 1 9 . 1 1 67 67 HIS CB C 67 29.600 29.600 32.140 -2.540 18046 5156 1 9 . 1 1 67 67 HIS H H 67 7.515 7.515 7.639 -0.124 18046 5157 1 9 . 1 1 68 68 PRO C C 68 176.365 176.365 176.802 -0.437 18046 5158 1 9 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.667 5.693 18046 5159 1 9 . 1 1 69 69 GLY N N 69 124.202 124.202 106.116 18.086 18046 5160 1 9 . 1 1 69 69 GLY C C 69 174.331 174.331 173.327 1.004 18046 5161 1 9 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.506 1.194 18046 5162 1 9 . 1 1 69 69 GLY H H 69 8.166 8.166 8.077 0.089 18046 5163 1 9 . 1 1 70 70 SER N N 70 115.467 115.467 118.026 -2.559 18046 5164 1 9 . 1 1 70 70 SER HA H 70 4.450 4.450 4.499 -0.049 18046 5165 1 9 . 1 1 70 70 SER C C 70 174.329 174.329 175.423 -1.094 18046 5166 1 9 . 1 1 70 70 SER CA C 70 58.640 58.640 59.201 -0.561 18046 5167 1 9 . 1 1 70 70 SER CB C 70 63.040 63.040 63.996 -0.956 18046 5168 1 9 . 1 1 70 70 SER H H 70 8.280 8.280 8.772 -0.492 18046 5169 1 9 . 1 1 71 71 ARG N N 71 120.585 120.585 120.441 0.144 18046 5170 1 9 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.580 -0.350 18046 5171 1 9 . 1 1 71 71 ARG C C 71 175.793 175.793 175.385 0.408 18046 5172 1 9 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.681 -0.581 18046 5173 1 9 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.467 0.933 18046 5174 1 9 . 1 1 71 71 ARG H H 71 8.341 8.341 8.527 -0.186 18046 5175 1 9 . 1 1 72 72 ASP N N 72 120.258 120.258 119.133 1.125 18046 5176 1 9 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.607 -0.167 18046 5177 1 9 . 1 1 72 72 ASP C C 72 178.038 178.038 177.107 0.931 18046 5178 1 9 . 1 1 72 72 ASP CA C 72 54.530 54.530 57.248 -2.717 18046 5179 1 9 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.423 0.347 18046 5180 1 9 . 1 1 72 72 ASP H H 72 8.471 8.471 8.441 0.030 18046 5181 1 9 . 1 1 73 73 LEU N N 73 127.518 127.518 118.122 9.396 18046 5182 1 9 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.157 -0.067 18046 5183 1 9 . 1 1 73 73 LEU C C 73 177.417 177.417 178.121 -0.704 18046 5184 1 9 . 1 1 73 73 LEU CA C 73 57.000 57.000 57.564 -0.564 18046 5185 1 9 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.227 -1.227 18046 5186 1 9 . 1 1 73 73 LEU H H 73 8.826 8.826 7.719 1.107 18046 5187 1 9 . 1 1 74 74 ASP N N 74 117.787 117.787 118.226 -0.439 18046 5188 1 9 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.536 0.204 18046 5189 1 9 . 1 1 74 74 ASP C C 74 175.765 175.765 176.477 -0.712 18046 5190 1 9 . 1 1 74 74 ASP CA C 74 53.900 53.900 56.025 -2.125 18046 5191 1 9 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.855 -0.385 18046 5192 1 9 . 1 1 74 74 ASP H H 74 8.480 8.480 8.316 0.164 18046 5193 1 9 . 1 1 75 75 THR N N 75 119.682 119.682 116.431 3.251 18046 5194 1 9 . 1 1 75 75 THR HA H 75 4.210 4.210 4.824 -0.614 18046 5195 1 9 . 1 1 75 75 THR CA C 75 62.440 62.440 59.291 3.149 18046 5196 1 9 . 1 1 75 75 THR CB C 75 70.940 70.940 69.412 1.528 18046 5197 1 9 . 1 1 75 75 THR H H 75 7.303 7.303 7.918 -0.615 18046 5198 1 9 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.353 -0.113 18046 5199 1 9 . 1 1 76 76 PRO C C 76 174.823 174.823 176.290 -1.467 18046 5200 1 9 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.143 1.457 18046 5201 1 9 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.447 0.653 18046 5202 1 9 . 1 1 77 77 ILE N N 77 121.906 121.906 118.395 3.511 18046 5203 1 9 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.740 1.250 18046 5204 1 9 . 1 1 77 77 ILE C C 77 176.571 176.571 176.692 -0.121 18046 5205 1 9 . 1 1 77 77 ILE CA C 77 59.500 59.500 61.475 -1.975 18046 5206 1 9 . 1 1 77 77 ILE CB C 77 38.100 38.100 38.265 -0.165 18046 5207 1 9 . 1 1 77 77 ILE H H 77 8.052 8.052 7.910 0.142 18046 5208 1 9 . 1 1 78 78 ILE N N 78 130.054 130.054 128.615 1.439 18046 5209 1 9 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.025 0.275 18046 5210 1 9 . 1 1 78 78 ILE C C 78 175.471 175.471 175.291 0.180 18046 5211 1 9 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.650 -0.850 18046 5212 1 9 . 1 1 78 78 ILE CB C 78 39.300 39.300 37.376 1.925 18046 5213 1 9 . 1 1 78 78 ILE H H 78 8.977 8.977 8.125 0.852 18046 5214 1 9 . 1 1 79 79 VAL N N 79 130.072 130.072 128.044 2.028 18046 5215 1 9 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.944 0.746 18046 5216 1 9 . 1 1 79 79 VAL C C 79 176.024 176.024 175.782 0.242 18046 5217 1 9 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.633 0.267 18046 5218 1 9 . 1 1 79 79 VAL CB C 79 31.700 31.700 32.157 -0.457 18046 5219 1 9 . 1 1 79 79 VAL H H 79 8.872 8.872 8.077 0.795 18046 5220 1 9 . 1 1 80 80 VAL N N 80 129.055 129.055 126.570 2.485 18046 5221 1 9 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.316 0.104 18046 5222 1 9 . 1 1 80 80 VAL C C 80 173.028 173.028 174.634 -1.606 18046 5223 1 9 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.520 -0.520 18046 5224 1 9 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.387 1.013 18046 5225 1 9 . 1 1 80 80 VAL H H 80 9.608 9.608 8.203 1.405 18046 5226 1 9 . 1 1 81 81 LYS N N 81 123.854 123.854 122.047 1.807 18046 5227 1 9 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.706 -0.536 18046 5228 1 9 . 1 1 81 81 LYS C C 81 175.225 175.225 175.717 -0.492 18046 5229 1 9 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.870 0.230 18046 5230 1 9 . 1 1 81 81 LYS CB C 81 34.200 34.200 35.041 -0.841 18046 5231 1 9 . 1 1 81 81 LYS H H 81 8.441 8.441 8.356 0.085 18046 5232 1 9 . 1 1 82 82 GLN N N 82 121.237 121.237 120.266 0.971 18046 5233 1 9 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.145 -0.185 18046 5234 1 9 . 1 1 82 82 GLN C C 82 177.016 177.016 176.114 0.902 18046 5235 1 9 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.596 -0.097 18046 5236 1 9 . 1 1 82 82 GLN CB C 82 28.100 28.100 28.502 -0.402 18046 5237 1 9 . 1 1 82 82 GLN H H 82 6.493 6.493 8.678 -2.185 18046 5238 1 9 . 1 1 83 83 GLY N N 83 118.629 118.629 112.346 6.283 18046 5239 1 9 . 1 1 83 83 GLY C C 83 174.491 174.491 173.156 1.335 18046 5240 1 9 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.333 1.067 18046 5241 1 9 . 1 1 83 83 GLY H H 83 10.072 10.072 8.185 1.887 18046 5242 1 9 . 1 1 84 84 PHE N N 84 120.834 120.834 120.175 0.659 18046 5243 1 9 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.625 0.285 18046 5244 1 9 . 1 1 84 84 PHE C C 84 177.056 177.056 174.311 2.745 18046 5245 1 9 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.305 -0.805 18046 5246 1 9 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.819 -2.119 18046 5247 1 9 . 1 1 84 84 PHE H H 84 8.431 8.431 7.266 1.165 18046 5248 1 9 . 1 1 85 85 GLU N N 85 125.174 125.174 125.245 -0.071 18046 5249 1 9 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.843 -0.733 18046 5250 1 9 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.646 4.234 18046 5251 1 9 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.392 -3.222 18046 5252 1 9 . 1 1 85 85 GLU H H 85 10.207 10.207 8.540 1.667 18046 5253 1 9 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.469 0.281 18046 5254 1 9 . 1 1 87 87 PRO C C 87 178.401 178.401 177.904 0.497 18046 5255 1 9 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.758 -0.258 18046 5256 1 9 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.984 -0.584 18046 5257 1 9 . 1 1 88 88 THR N N 88 107.088 107.088 112.286 -5.198 18046 5258 1 9 . 1 1 88 88 THR HA H 88 4.080 4.080 4.025 0.055 18046 5259 1 9 . 1 1 88 88 THR C C 88 174.325 174.325 175.649 -1.324 18046 5260 1 9 . 1 1 88 88 THR CA C 88 63.200 63.200 64.999 -1.799 18046 5261 1 9 . 1 1 88 88 THR CB C 88 68.300 68.300 68.123 0.177 18046 5262 1 9 . 1 1 88 88 THR H H 88 7.316 7.316 8.120 -0.804 18046 5263 1 9 . 1 1 89 89 PHE N N 89 119.031 119.031 122.239 -3.208 18046 5264 1 9 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.916 0.004 18046 5265 1 9 . 1 1 89 89 PHE C C 89 175.661 175.661 177.227 -1.566 18046 5266 1 9 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.785 -0.785 18046 5267 1 9 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.662 2.398 18046 5268 1 9 . 1 1 89 89 PHE H H 89 7.437 7.437 7.792 -0.355 18046 5269 1 9 . 1 1 90 90 THR N N 90 107.216 107.216 116.669 -9.453 18046 5270 1 9 . 1 1 90 90 THR HA H 90 3.210 3.210 3.245 -0.035 18046 5271 1 9 . 1 1 90 90 THR C C 90 177.340 177.340 176.998 0.342 18046 5272 1 9 . 1 1 90 90 THR CA C 90 65.000 65.000 67.225 -2.225 18046 5273 1 9 . 1 1 90 90 THR CB C 90 68.200 68.200 67.741 0.459 18046 5274 1 9 . 1 1 90 90 THR H H 90 7.675 7.675 7.925 -0.250 18046 5275 1 9 . 1 1 91 91 GLY N N 91 106.674 106.674 109.004 -2.330 18046 5276 1 9 . 1 1 91 91 GLY C C 91 174.591 174.591 174.669 -0.078 18046 5277 1 9 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.594 0.706 18046 5278 1 9 . 1 1 91 91 GLY H H 91 7.865 7.865 7.457 0.408 18046 5279 1 9 . 1 1 92 92 TRP N N 92 117.951 117.951 118.788 -0.837 18046 5280 1 9 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.284 0.206 18046 5281 1 9 . 1 1 92 92 TRP C C 92 174.042 174.042 176.058 -2.016 18046 5282 1 9 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.951 0.519 18046 5283 1 9 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.324 0.306 18046 5284 1 9 . 1 1 92 92 TRP H H 92 7.018 7.018 7.145 -0.127 18046 5285 1 9 . 1 1 93 93 PHE N N 93 118.863 118.863 115.370 3.493 18046 5286 1 9 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.232 0.378 18046 5287 1 9 . 1 1 93 93 PHE C C 93 175.872 175.872 176.882 -1.010 18046 5288 1 9 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.900 0.000 18046 5289 1 9 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.121 0.679 18046 5290 1 9 . 1 1 93 93 PHE H H 93 7.956 7.956 7.591 0.365 18046 5291 1 9 . 1 1 94 94 MET N N 94 121.781 121.781 119.040 2.741 18046 5292 1 9 . 1 1 94 94 MET HA H 94 4.200 4.200 4.181 0.019 18046 5293 1 9 . 1 1 94 94 MET C C 94 175.794 175.794 175.907 -0.113 18046 5294 1 9 . 1 1 94 94 MET CA C 94 57.900 57.900 56.845 1.055 18046 5295 1 9 . 1 1 94 94 MET CB C 94 32.300 32.300 32.492 -0.192 18046 5296 1 9 . 1 1 94 94 MET H H 94 8.825 8.825 8.616 0.209 18046 5297 1 9 . 1 1 95 95 ALA N N 95 120.648 120.648 122.210 -1.562 18046 5298 1 9 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.435 0.005 18046 5299 1 9 . 1 1 95 95 ALA C C 95 175.600 175.600 176.493 -0.893 18046 5300 1 9 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.898 0.902 18046 5301 1 9 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.915 1.885 18046 5302 1 9 . 1 1 95 95 ALA H H 95 8.037 8.037 7.558 0.479 18046 5303 1 9 . 1 1 96 96 TRP N N 96 121.009 121.009 123.673 -2.664 18046 5304 1 9 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.376 -0.166 18046 5305 1 9 . 1 1 96 96 TRP C C 96 174.409 174.409 176.059 -1.650 18046 5306 1 9 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.869 -0.069 18046 5307 1 9 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.958 0.542 18046 5308 1 9 . 1 1 96 96 TRP H H 96 8.481 8.481 8.420 0.061 18046 5309 1 9 . 1 1 97 97 ASP N N 97 128.963 128.963 120.755 8.208 18046 5310 1 9 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.124 -0.034 18046 5311 1 9 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.677 -1.117 18046 5312 1 9 . 1 1 97 97 ASP CB C 97 42.530 42.530 43.439 -0.909 18046 5313 1 9 . 1 1 97 97 ASP H H 97 8.850 8.850 8.977 -0.127 18046 5314 1 9 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.444 0.066 18046 5315 1 9 . 1 1 98 98 PRO C C 98 177.169 177.169 177.315 -0.146 18046 5316 1 9 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.147 0.053 18046 5317 1 9 . 1 1 98 98 PRO CB C 98 32.570 32.570 31.989 0.581 18046 5318 1 9 . 1 1 99 99 LEU N N 99 118.381 118.381 119.032 -0.651 18046 5319 1 9 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.510 0.020 18046 5320 1 9 . 1 1 99 99 LEU C C 99 177.338 177.338 178.181 -0.843 18046 5321 1 9 . 1 1 99 99 LEU CA C 99 54.550 54.550 55.084 -0.534 18046 5322 1 9 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.366 -0.616 18046 5323 1 9 . 1 1 99 99 LEU H H 99 8.372 8.372 7.644 0.728 18046 5324 1 9 . 1 1 100 100 CYS N N 100 119.396 119.396 119.411 -0.015 18046 5325 1 9 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.318 -0.708 18046 5326 1 9 . 1 1 100 100 CYS C C 100 174.820 174.820 176.011 -1.191 18046 5327 1 9 . 1 1 100 100 CYS CA C 100 61.500 61.500 61.975 -0.475 18046 5328 1 9 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.977 0.323 18046 5329 1 9 . 1 1 100 100 CYS H H 100 7.052 7.052 7.960 -0.908 18046 5330 1 9 . 1 1 101 101 TRP N N 101 115.737 115.737 120.933 -5.196 18046 5331 1 9 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.596 0.184 18046 5332 1 9 . 1 1 101 101 TRP C C 101 176.485 176.485 175.932 0.553 18046 5333 1 9 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.323 1.577 18046 5334 1 9 . 1 1 101 101 TRP CB C 101 28.100 28.100 29.143 -1.044 18046 5335 1 9 . 1 1 101 101 TRP H H 101 7.625 7.625 7.931 -0.306 18046 5336 1 9 . 1 1 102 102 SER N N 102 115.896 115.896 114.847 1.049 18046 5337 1 9 . 1 1 102 102 SER HA H 102 4.520 4.520 4.322 0.198 18046 5338 1 9 . 1 1 102 102 SER C C 102 174.333 174.333 175.167 -0.834 18046 5339 1 9 . 1 1 102 102 SER CA C 102 59.200 59.200 60.551 -1.351 18046 5340 1 9 . 1 1 102 102 SER CB C 102 64.100 64.100 63.080 1.020 18046 5341 1 9 . 1 1 102 102 SER H H 102 7.916 7.916 7.768 0.148 18046 5342 1 9 . 1 1 103 103 ASP N N 103 122.262 122.262 121.569 0.693 18046 5343 1 9 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.728 -0.068 18046 5344 1 9 . 1 1 103 103 ASP C C 103 176.129 176.129 178.125 -1.996 18046 5345 1 9 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.859 -1.159 18046 5346 1 9 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.187 -0.187 18046 5347 1 9 . 1 1 103 103 ASP H H 103 8.450 8.450 7.954 0.496 18046 5348 1 9 . 1 1 104 104 ARG N N 104 120.795 120.795 120.565 0.230 18046 5349 1 9 . 1 1 104 104 ARG HA H 104 4.330 4.330 4.104 0.226 18046 5350 1 9 . 1 1 104 104 ARG C C 104 176.283 176.283 177.602 -1.319 18046 5351 1 9 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.235 -2.035 18046 5352 1 9 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.893 0.857 18046 5353 1 9 . 1 1 104 104 ARG H H 104 8.117 8.117 7.447 0.670 18046 5354 1 9 . 1 1 105 105 LYS N N 105 122.131 122.131 117.219 4.912 18046 5355 1 9 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.542 -0.197 18046 5356 1 9 . 1 1 105 105 LYS C C 105 176.284 176.284 175.838 0.446 18046 5357 1 9 . 1 1 105 105 LYS CA C 105 56.300 56.300 55.551 0.749 18046 5358 1 9 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.010 1.090 18046 5359 1 9 . 1 1 105 105 LYS H H 105 8.294 8.294 8.115 0.179 18046 5360 1 9 . 1 1 106 106 SER N N 106 116.993 116.993 115.967 1.026 18046 5361 1 9 . 1 1 106 106 SER HA H 106 4.470 4.470 4.643 -0.173 18046 5362 1 9 . 1 1 106 106 SER CA C 106 58.300 58.300 57.908 0.392 18046 5363 1 9 . 1 1 106 106 SER CB C 106 64.200 64.200 64.819 -0.619 18046 5364 1 9 . 1 1 106 106 SER H H 106 8.235 8.235 7.884 0.351 18046 5365 1 10 . 1 1 2 2 ARG N N 2 117.203 117.203 120.398 -3.195 18046 5366 1 10 . 1 1 2 2 ARG HA H 2 5.050 5.050 5.082 -0.032 18046 5367 1 10 . 1 1 2 2 ARG C C 2 172.726 172.726 174.879 -2.153 18046 5368 1 10 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.403 0.797 18046 5369 1 10 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.676 -2.776 18046 5370 1 10 . 1 1 2 2 ARG H H 2 8.108 8.108 8.369 -0.261 18046 5371 1 10 . 1 1 3 3 LEU N N 3 125.261 125.261 118.951 6.310 18046 5372 1 10 . 1 1 3 3 LEU HA H 3 5.220 5.220 5.113 0.107 18046 5373 1 10 . 1 1 3 3 LEU C C 3 174.166 174.166 175.293 -1.127 18046 5374 1 10 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.006 -0.006 18046 5375 1 10 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.486 -0.086 18046 5376 1 10 . 1 1 3 3 LEU H H 3 8.542 8.542 8.221 0.321 18046 5377 1 10 . 1 1 4 4 PHE N N 4 123.490 123.490 116.408 7.082 18046 5378 1 10 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.769 0.331 18046 5379 1 10 . 1 1 4 4 PHE C C 4 174.820 174.820 174.546 0.274 18046 5380 1 10 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.283 -0.993 18046 5381 1 10 . 1 1 4 4 PHE CB C 4 41.350 41.350 41.037 0.313 18046 5382 1 10 . 1 1 4 4 PHE H H 4 9.591 9.591 8.688 0.903 18046 5383 1 10 . 1 1 5 5 GLU N N 5 125.718 125.718 125.388 0.330 18046 5384 1 10 . 1 1 5 5 GLU HA H 5 4.020 4.020 5.014 -0.994 18046 5385 1 10 . 1 1 5 5 GLU C C 5 174.892 174.892 175.603 -0.711 18046 5386 1 10 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.426 -0.326 18046 5387 1 10 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.063 2.787 18046 5388 1 10 . 1 1 5 5 GLU H H 5 9.484 9.484 8.560 0.924 18046 5389 1 10 . 1 1 6 6 CYS N N 6 127.915 127.915 125.386 2.529 18046 5390 1 10 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.082 -0.062 18046 5391 1 10 . 1 1 6 6 CYS C C 6 172.378 172.378 173.963 -1.585 18046 5392 1 10 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.281 0.719 18046 5393 1 10 . 1 1 6 6 CYS CB C 6 29.300 29.300 29.093 0.207 18046 5394 1 10 . 1 1 6 6 CYS H H 6 8.937 8.937 8.395 0.542 18046 5395 1 10 . 1 1 7 7 SER N N 7 113.574 113.574 118.630 -5.056 18046 5396 1 10 . 1 1 7 7 SER HA H 7 5.420 5.420 4.905 0.515 18046 5397 1 10 . 1 1 7 7 SER C C 7 175.632 175.632 173.010 2.622 18046 5398 1 10 . 1 1 7 7 SER CA C 7 55.400 55.400 56.572 -1.173 18046 5399 1 10 . 1 1 7 7 SER CB C 7 65.900 65.900 65.769 0.131 18046 5400 1 10 . 1 1 7 7 SER H H 7 7.873 7.873 8.223 -0.350 18046 5401 1 10 . 1 1 8 8 ASN N N 8 126.153 126.153 121.881 4.272 18046 5402 1 10 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.121 0.519 18046 5403 1 10 . 1 1 8 8 ASN C C 8 178.392 178.392 175.806 2.586 18046 5404 1 10 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.663 -1.163 18046 5405 1 10 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.232 -1.132 18046 5406 1 10 . 1 1 8 8 ASN H H 8 10.299 10.299 8.695 1.603 18046 5407 1 10 . 1 1 9 9 LYS N N 9 123.420 123.420 123.443 -0.023 18046 5408 1 10 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.175 0.055 18046 5409 1 10 . 1 1 9 9 LYS C C 9 177.891 177.891 177.224 0.667 18046 5410 1 10 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.136 0.664 18046 5411 1 10 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.824 -0.924 18046 5412 1 10 . 1 1 9 9 LYS H H 9 9.064 9.064 8.502 0.562 18046 5413 1 10 . 1 1 10 10 THR N N 10 110.292 110.292 108.547 1.745 18046 5414 1 10 . 1 1 10 10 THR HA H 10 4.480 4.480 4.480 -0.000 18046 5415 1 10 . 1 1 10 10 THR C C 10 175.392 175.392 175.861 -0.469 18046 5416 1 10 . 1 1 10 10 THR CA C 10 63.100 63.100 62.383 0.717 18046 5417 1 10 . 1 1 10 10 THR CB C 10 70.100 70.100 70.003 0.097 18046 5418 1 10 . 1 1 10 10 THR H H 10 8.525 8.525 7.893 0.632 18046 5419 1 10 . 1 1 11 11 GLY N N 11 110.668 110.668 110.187 0.481 18046 5420 1 10 . 1 1 11 11 GLY C C 11 172.867 172.867 173.662 -0.795 18046 5421 1 10 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.113 -0.413 18046 5422 1 10 . 1 1 11 11 GLY H H 11 8.266 8.266 8.115 0.151 18046 5423 1 10 . 1 1 12 12 ARG N N 12 118.170 118.170 120.309 -2.139 18046 5424 1 10 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.713 -0.053 18046 5425 1 10 . 1 1 12 12 ARG C C 12 173.924 173.924 174.594 -0.670 18046 5426 1 10 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.743 -0.843 18046 5427 1 10 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.919 -0.118 18046 5428 1 10 . 1 1 12 12 ARG H H 12 7.538 7.538 7.842 -0.304 18046 5429 1 10 . 1 1 13 13 PHE N N 13 121.956 121.956 123.151 -1.195 18046 5430 1 10 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.629 -0.095 18046 5431 1 10 . 1 1 13 13 PHE C C 13 174.005 174.005 174.311 -0.306 18046 5432 1 10 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.520 1.980 18046 5433 1 10 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.951 -0.951 18046 5434 1 10 . 1 1 13 13 PHE H H 13 8.926 8.926 8.637 0.289 18046 5435 1 10 . 1 1 14 14 LEU N N 14 129.824 129.824 127.212 2.612 18046 5436 1 10 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.247 0.063 18046 5437 1 10 . 1 1 14 14 LEU C C 14 173.801 173.801 174.173 -0.372 18046 5438 1 10 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.876 1.324 18046 5439 1 10 . 1 1 14 14 LEU CB C 14 46.600 46.600 44.989 1.611 18046 5440 1 10 . 1 1 14 14 LEU H H 14 8.114 8.114 7.356 0.758 18046 5441 1 10 . 1 1 15 15 ALA N N 15 125.201 125.201 125.469 -0.268 18046 5442 1 10 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.407 1.123 18046 5443 1 10 . 1 1 15 15 ALA C C 15 177.178 177.178 176.587 0.591 18046 5444 1 10 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.341 -1.541 18046 5445 1 10 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.221 0.579 18046 5446 1 10 . 1 1 15 15 ALA H H 15 8.234 8.234 8.198 0.036 18046 5447 1 10 . 1 1 16 16 THR N N 16 119.393 119.393 118.721 0.672 18046 5448 1 10 . 1 1 16 16 THR HA H 16 4.654 4.654 4.549 0.105 18046 5449 1 10 . 1 1 16 16 THR C C 16 173.434 173.434 172.513 0.921 18046 5450 1 10 . 1 1 16 16 THR CA C 16 61.261 61.261 60.770 0.491 18046 5451 1 10 . 1 1 16 16 THR CB C 16 71.500 71.500 71.363 0.137 18046 5452 1 10 . 1 1 16 16 THR H H 16 9.149 9.149 8.074 1.075 18046 5453 1 10 . 1 1 17 17 GLU N N 17 128.928 128.928 123.114 5.814 18046 5454 1 10 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.473 -0.083 18046 5455 1 10 . 1 1 17 17 GLU C C 17 175.799 175.799 174.860 0.939 18046 5456 1 10 . 1 1 17 17 GLU CA C 17 56.800 56.800 54.672 2.128 18046 5457 1 10 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.939 -2.539 18046 5458 1 10 . 1 1 17 17 GLU H H 17 9.269 9.269 8.507 0.762 18046 5459 1 10 . 1 1 18 18 ILE N N 18 129.185 129.185 125.685 3.500 18046 5460 1 10 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.081 0.309 18046 5461 1 10 . 1 1 18 18 ILE C C 18 176.202 176.202 174.721 1.481 18046 5462 1 10 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.692 1.008 18046 5463 1 10 . 1 1 18 18 ILE CB C 18 38.100 38.100 40.070 -1.970 18046 5464 1 10 . 1 1 18 18 ILE H H 18 8.814 8.814 8.290 0.524 18046 5465 1 10 . 1 1 19 19 VAL N N 19 127.068 127.068 125.643 1.425 18046 5466 1 10 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.582 0.698 18046 5467 1 10 . 1 1 19 19 VAL C C 19 175.632 175.632 175.991 -0.359 18046 5468 1 10 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.389 -0.789 18046 5469 1 10 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.234 0.266 18046 5470 1 10 . 1 1 19 19 VAL H H 19 8.600 8.600 8.101 0.499 18046 5471 1 10 . 1 1 20 20 ASP N N 20 122.793 122.793 123.286 -0.493 18046 5472 1 10 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.113 0.177 18046 5473 1 10 . 1 1 20 20 ASP C C 20 175.742 175.742 175.094 0.648 18046 5474 1 10 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.454 -0.354 18046 5475 1 10 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.959 -0.959 18046 5476 1 10 . 1 1 20 20 ASP H H 20 9.037 9.037 8.364 0.673 18046 5477 1 10 . 1 1 21 21 PHE N N 21 113.443 113.443 123.468 -10.025 18046 5478 1 10 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.642 0.168 18046 5479 1 10 . 1 1 21 21 PHE C C 21 175.062 175.062 175.273 -0.211 18046 5480 1 10 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.199 1.001 18046 5481 1 10 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.251 -0.351 18046 5482 1 10 . 1 1 21 21 PHE H H 21 6.542 6.542 7.518 -0.976 18046 5483 1 10 . 1 1 22 22 THR N N 22 112.200 112.200 112.243 -0.043 18046 5484 1 10 . 1 1 22 22 THR HA H 22 4.900 4.900 4.880 0.020 18046 5485 1 10 . 1 1 22 22 THR C C 22 175.307 175.307 175.596 -0.289 18046 5486 1 10 . 1 1 22 22 THR CA C 22 60.400 60.400 60.716 -0.316 18046 5487 1 10 . 1 1 22 22 THR CB C 22 73.300 73.300 70.956 2.344 18046 5488 1 10 . 1 1 22 22 THR H H 22 9.640 9.640 8.106 1.534 18046 5489 1 10 . 1 1 23 23 GLN N N 23 122.406 122.406 118.338 4.068 18046 5490 1 10 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.172 -0.492 18046 5491 1 10 . 1 1 23 23 GLN C C 23 176.527 176.527 177.223 -0.696 18046 5492 1 10 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.299 0.701 18046 5493 1 10 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.337 -0.737 18046 5494 1 10 . 1 1 23 23 GLN H H 23 9.766 9.766 8.764 1.002 18046 5495 1 10 . 1 1 24 24 ASP N N 24 114.153 114.153 120.346 -6.193 18046 5496 1 10 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.455 -0.355 18046 5497 1 10 . 1 1 24 24 ASP C C 24 176.528 176.528 177.475 -0.947 18046 5498 1 10 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.653 -0.753 18046 5499 1 10 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.470 0.290 18046 5500 1 10 . 1 1 24 24 ASP H H 24 7.760 7.760 7.816 -0.056 18046 5501 1 10 . 1 1 25 25 ASP N N 25 116.379 116.379 116.880 -0.501 18046 5502 1 10 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.713 -0.172 18046 5503 1 10 . 1 1 25 25 ASP C C 25 175.059 175.059 176.104 -1.045 18046 5504 1 10 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.193 1.007 18046 5505 1 10 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.648 0.852 18046 5506 1 10 . 1 1 25 25 ASP H H 25 7.655 7.655 8.398 -0.743 18046 5507 1 10 . 1 1 26 26 LEU N N 26 118.095 118.095 122.718 -4.623 18046 5508 1 10 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.118 -0.838 18046 5509 1 10 . 1 1 26 26 LEU C C 26 174.177 174.177 176.564 -2.387 18046 5510 1 10 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.339 -1.439 18046 5511 1 10 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.568 -1.268 18046 5512 1 10 . 1 1 26 26 LEU H H 26 7.309 7.309 7.184 0.125 18046 5513 1 10 . 1 1 27 27 ASP N N 27 127.757 127.757 126.402 1.355 18046 5514 1 10 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.532 0.268 18046 5515 1 10 . 1 1 27 27 ASP C C 27 177.178 177.178 177.400 -0.222 18046 5516 1 10 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.236 -0.736 18046 5517 1 10 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.783 1.717 18046 5518 1 10 . 1 1 27 27 ASP H H 27 8.612 8.612 8.194 0.418 18046 5519 1 10 . 1 1 28 28 GLU N N 28 124.674 124.674 118.820 5.854 18046 5520 1 10 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.149 0.241 18046 5521 1 10 . 1 1 28 28 GLU C C 28 175.019 175.019 176.748 -1.729 18046 5522 1 10 . 1 1 28 28 GLU CA C 28 57.700 57.700 59.030 -1.330 18046 5523 1 10 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.041 -0.441 18046 5524 1 10 . 1 1 28 28 GLU H H 28 8.632 8.632 8.812 -0.180 18046 5525 1 10 . 1 1 29 29 ASN N N 29 115.882 115.882 118.440 -2.558 18046 5526 1 10 . 1 1 29 29 ASN HA H 29 4.630 4.630 5.008 -0.378 18046 5527 1 10 . 1 1 29 29 ASN C C 29 175.382 175.382 173.717 1.665 18046 5528 1 10 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.836 -0.036 18046 5529 1 10 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.689 0.311 18046 5530 1 10 . 1 1 29 29 ASN H H 29 9.360 9.360 8.135 1.225 18046 5531 1 10 . 1 1 30 30 ASP N N 30 127.013 127.013 122.211 4.802 18046 5532 1 10 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.818 0.732 18046 5533 1 10 . 1 1 30 30 ASP C C 30 172.009 172.009 174.127 -2.118 18046 5534 1 10 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.370 0.830 18046 5535 1 10 . 1 1 30 30 ASP CB C 30 44.800 44.800 45.286 -0.486 18046 5536 1 10 . 1 1 30 30 ASP H H 30 8.710 8.710 8.523 0.187 18046 5537 1 10 . 1 1 31 31 VAL N N 31 112.784 112.784 120.479 -7.695 18046 5538 1 10 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.148 1.252 18046 5539 1 10 . 1 1 31 31 VAL C C 31 173.273 173.273 174.983 -1.710 18046 5540 1 10 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.053 -2.053 18046 5541 1 10 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.240 3.560 18046 5542 1 10 . 1 1 31 31 VAL H H 31 7.364 7.364 8.381 -1.017 18046 5543 1 10 . 1 1 32 32 TYR N N 32 120.917 120.917 125.996 -5.079 18046 5544 1 10 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.318 0.352 18046 5545 1 10 . 1 1 32 32 TYR C C 32 174.735 174.735 175.203 -0.468 18046 5546 1 10 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.268 1.532 18046 5547 1 10 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.234 1.866 18046 5548 1 10 . 1 1 32 32 TYR H H 32 9.698 9.698 7.797 1.901 18046 5549 1 10 . 1 1 33 33 LEU N N 33 119.790 119.790 120.191 -0.401 18046 5550 1 10 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.254 1.456 18046 5551 1 10 . 1 1 33 33 LEU C C 33 175.551 175.551 175.122 0.429 18046 5552 1 10 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.176 -1.696 18046 5553 1 10 . 1 1 33 33 LEU CB C 33 44.285 44.285 43.502 0.783 18046 5554 1 10 . 1 1 33 33 LEU H H 33 9.111 9.111 8.664 0.447 18046 5555 1 10 . 1 1 34 34 LEU N N 34 125.829 125.829 127.293 -1.464 18046 5556 1 10 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.200 0.210 18046 5557 1 10 . 1 1 34 34 LEU C C 34 174.819 174.819 174.749 0.070 18046 5558 1 10 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.284 0.036 18046 5559 1 10 . 1 1 34 34 LEU CB C 34 44.580 44.580 44.958 -0.378 18046 5560 1 10 . 1 1 34 34 LEU H H 34 9.847 9.847 7.973 1.874 18046 5561 1 10 . 1 1 35 35 ASP N N 35 126.739 126.739 128.183 -1.444 18046 5562 1 10 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.968 0.172 18046 5563 1 10 . 1 1 35 35 ASP C C 35 176.690 176.690 175.241 1.449 18046 5564 1 10 . 1 1 35 35 ASP CA C 35 53.600 53.600 54.095 -0.495 18046 5565 1 10 . 1 1 35 35 ASP CB C 35 42.200 42.200 40.901 1.299 18046 5566 1 10 . 1 1 35 35 ASP H H 35 9.740 9.740 8.562 1.178 18046 5567 1 10 . 1 1 36 36 THR N N 36 118.603 118.603 114.650 3.953 18046 5568 1 10 . 1 1 36 36 THR HA H 36 4.290 4.290 4.220 0.070 18046 5569 1 10 . 1 1 36 36 THR C C 36 175.471 175.471 174.360 1.111 18046 5570 1 10 . 1 1 36 36 THR CA C 36 60.800 60.800 59.579 1.221 18046 5571 1 10 . 1 1 36 36 THR CB C 36 68.500 68.500 70.357 -1.857 18046 5572 1 10 . 1 1 36 36 THR H H 36 8.596 8.596 7.711 0.885 18046 5573 1 10 . 1 1 37 37 TRP N N 37 122.021 122.021 122.219 -0.198 18046 5574 1 10 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.441 -0.391 18046 5575 1 10 . 1 1 37 37 TRP C C 37 177.341 177.341 177.665 -0.324 18046 5576 1 10 . 1 1 37 37 TRP CA C 37 61.800 61.800 58.971 2.829 18046 5577 1 10 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.420 -0.420 18046 5578 1 10 . 1 1 37 37 TRP H H 37 9.090 9.090 8.306 0.784 18046 5579 1 10 . 1 1 38 38 ASP N N 38 117.786 117.786 117.354 0.432 18046 5580 1 10 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.430 -0.040 18046 5581 1 10 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.462 -0.462 18046 5582 1 10 . 1 1 38 38 ASP CB C 38 41.300 41.300 41.634 -0.334 18046 5583 1 10 . 1 1 38 38 ASP H H 38 8.676 8.676 8.259 0.417 18046 5584 1 10 . 1 1 39 39 GLN N N 39 110.693 110.693 113.778 -3.085 18046 5585 1 10 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.536 -0.046 18046 5586 1 10 . 1 1 39 39 GLN C C 39 173.398 173.398 174.493 -1.095 18046 5587 1 10 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.373 -0.573 18046 5588 1 10 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.560 0.640 18046 5589 1 10 . 1 1 39 39 GLN H H 39 7.325 7.325 7.730 -0.405 18046 5590 1 10 . 1 1 40 40 ILE N N 40 120.287 120.287 122.843 -2.556 18046 5591 1 10 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.485 0.495 18046 5592 1 10 . 1 1 40 40 ILE C C 40 175.143 175.143 175.581 -0.438 18046 5593 1 10 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.927 -1.827 18046 5594 1 10 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.611 1.089 18046 5595 1 10 . 1 1 40 40 ILE H H 40 8.663 8.663 8.731 -0.068 18046 5596 1 10 . 1 1 41 41 PHE N N 41 124.653 124.653 127.341 -2.688 18046 5597 1 10 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.952 0.538 18046 5598 1 10 . 1 1 41 41 PHE C C 41 174.167 174.167 175.046 -0.879 18046 5599 1 10 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.194 0.206 18046 5600 1 10 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.041 2.159 18046 5601 1 10 . 1 1 41 41 PHE H H 41 9.555 9.555 9.255 0.300 18046 5602 1 10 . 1 1 42 42 PHE N N 42 128.681 128.681 125.247 3.434 18046 5603 1 10 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.922 0.658 18046 5604 1 10 . 1 1 42 42 PHE C C 42 172.940 172.940 174.865 -1.925 18046 5605 1 10 . 1 1 42 42 PHE CA C 42 54.700 54.700 57.267 -2.567 18046 5606 1 10 . 1 1 42 42 PHE CB C 42 41.000 41.000 39.968 1.032 18046 5607 1 10 . 1 1 42 42 PHE H H 42 9.647 9.647 8.485 1.162 18046 5608 1 10 . 1 1 43 43 TRP N N 43 128.634 128.634 126.751 1.883 18046 5609 1 10 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.841 0.439 18046 5610 1 10 . 1 1 43 43 TRP C C 43 175.877 175.877 174.773 1.104 18046 5611 1 10 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.399 1.601 18046 5612 1 10 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.726 2.474 18046 5613 1 10 . 1 1 43 43 TRP H H 43 9.997 9.997 8.907 1.090 18046 5614 1 10 . 1 1 44 44 ILE N N 44 126.166 126.166 126.207 -0.041 18046 5615 1 10 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.553 -0.403 18046 5616 1 10 . 1 1 44 44 ILE C C 44 175.190 175.190 175.727 -0.537 18046 5617 1 10 . 1 1 44 44 ILE CA C 44 60.500 60.500 58.844 1.656 18046 5618 1 10 . 1 1 44 44 ILE CB C 44 39.300 39.300 38.383 0.917 18046 5619 1 10 . 1 1 44 44 ILE H H 44 8.359 8.359 7.843 0.516 18046 5620 1 10 . 1 1 45 45 GLY N N 45 119.260 119.260 113.729 5.531 18046 5621 1 10 . 1 1 45 45 GLY C C 45 176.163 176.163 174.486 1.677 18046 5622 1 10 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.565 2.035 18046 5623 1 10 . 1 1 45 45 GLY H H 45 7.603 7.603 8.238 -0.635 18046 5624 1 10 . 1 1 46 46 LYS N N 46 124.868 124.868 119.351 5.517 18046 5625 1 10 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.418 -0.348 18046 5626 1 10 . 1 1 46 46 LYS C C 46 177.700 177.700 177.405 0.295 18046 5627 1 10 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.460 1.740 18046 5628 1 10 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.248 -0.848 18046 5629 1 10 . 1 1 46 46 LYS H H 46 9.104 9.104 8.471 0.633 18046 5630 1 10 . 1 1 47 47 GLY N N 47 106.230 106.230 107.022 -0.792 18046 5631 1 10 . 1 1 47 47 GLY C C 47 175.326 175.326 174.119 1.207 18046 5632 1 10 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.035 -0.835 18046 5633 1 10 . 1 1 47 47 GLY H H 47 8.954 8.954 8.063 0.891 18046 5634 1 10 . 1 1 48 48 ALA N N 48 125.925 125.925 123.146 2.779 18046 5635 1 10 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.217 0.403 18046 5636 1 10 . 1 1 48 48 ALA C C 48 177.829 177.829 177.459 0.370 18046 5637 1 10 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.504 0.196 18046 5638 1 10 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.950 0.950 18046 5639 1 10 . 1 1 48 48 ALA H H 48 7.484 7.484 7.908 -0.424 18046 5640 1 10 . 1 1 49 49 ASN N N 49 119.683 119.683 122.693 -3.010 18046 5641 1 10 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.611 0.489 18046 5642 1 10 . 1 1 49 49 ASN C C 49 175.874 175.874 176.955 -1.081 18046 5643 1 10 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.510 -1.910 18046 5644 1 10 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.343 1.657 18046 5645 1 10 . 1 1 49 49 ASN H H 49 8.921 8.921 8.266 0.655 18046 5646 1 10 . 1 1 50 50 GLU N N 50 118.057 118.057 120.846 -2.789 18046 5647 1 10 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.103 -0.103 18046 5648 1 10 . 1 1 50 50 GLU C C 50 178.722 178.722 178.420 0.302 18046 5649 1 10 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.394 0.206 18046 5650 1 10 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.681 -0.081 18046 5651 1 10 . 1 1 50 50 GLU H H 50 8.828 8.828 9.008 -0.180 18046 5652 1 10 . 1 1 51 51 SER N N 51 115.397 115.397 114.905 0.492 18046 5653 1 10 . 1 1 51 51 SER HA H 51 4.350 4.350 4.181 0.169 18046 5654 1 10 . 1 1 51 51 SER C C 51 177.932 177.932 176.055 1.877 18046 5655 1 10 . 1 1 51 51 SER CA C 51 61.800 61.800 61.864 -0.063 18046 5656 1 10 . 1 1 51 51 SER CB C 51 62.700 62.700 62.959 -0.259 18046 5657 1 10 . 1 1 51 51 SER H H 51 8.401 8.401 8.292 0.109 18046 5658 1 10 . 1 1 52 52 GLU N N 52 122.271 122.271 121.792 0.479 18046 5659 1 10 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.108 -0.008 18046 5660 1 10 . 1 1 52 52 GLU C C 52 177.665 177.665 178.448 -0.783 18046 5661 1 10 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.749 -0.549 18046 5662 1 10 . 1 1 52 52 GLU CB C 52 28.400 28.400 29.004 -0.604 18046 5663 1 10 . 1 1 52 52 GLU H H 52 8.566 8.566 8.376 0.190 18046 5664 1 10 . 1 1 53 53 LYS N N 53 119.319 119.319 118.505 0.814 18046 5665 1 10 . 1 1 53 53 LYS HA H 53 4.040 4.040 4.075 -0.035 18046 5666 1 10 . 1 1 53 53 LYS C C 53 178.727 178.727 178.670 0.057 18046 5667 1 10 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.381 1.519 18046 5668 1 10 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.270 0.330 18046 5669 1 10 . 1 1 53 53 LYS H H 53 7.704 7.704 7.586 0.118 18046 5670 1 10 . 1 1 54 54 GLU N N 54 119.268 119.268 118.994 0.274 18046 5671 1 10 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.104 -0.044 18046 5672 1 10 . 1 1 54 54 GLU C C 54 179.211 179.211 178.348 0.863 18046 5673 1 10 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.097 0.403 18046 5674 1 10 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.646 0.254 18046 5675 1 10 . 1 1 54 54 GLU H H 54 8.173 8.173 7.324 0.849 18046 5676 1 10 . 1 1 55 55 ALA N N 55 121.311 121.311 122.012 -0.701 18046 5677 1 10 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.829 0.121 18046 5678 1 10 . 1 1 55 55 ALA C C 55 180.920 180.920 179.405 1.515 18046 5679 1 10 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.716 -0.216 18046 5680 1 10 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.147 -1.347 18046 5681 1 10 . 1 1 55 55 ALA H H 55 7.954 7.954 8.377 -0.423 18046 5682 1 10 . 1 1 56 56 ALA N N 56 123.395 123.395 119.373 4.022 18046 5683 1 10 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.237 -0.217 18046 5684 1 10 . 1 1 56 56 ALA C C 56 178.383 178.383 179.123 -0.740 18046 5685 1 10 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.741 0.659 18046 5686 1 10 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.457 1.143 18046 5687 1 10 . 1 1 56 56 ALA H H 56 8.393 8.393 8.195 0.198 18046 5688 1 10 . 1 1 57 57 ALA N N 57 120.754 120.754 121.205 -0.451 18046 5689 1 10 . 1 1 57 57 ALA HA H 57 3.920 3.920 4.588 -0.668 18046 5690 1 10 . 1 1 57 57 ALA C C 57 180.433 180.433 179.920 0.513 18046 5691 1 10 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.990 0.710 18046 5692 1 10 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.292 -0.592 18046 5693 1 10 . 1 1 57 57 ALA H H 57 7.690 7.690 7.502 0.188 18046 5694 1 10 . 1 1 58 58 GLU N N 58 118.337 118.337 118.471 -0.134 18046 5695 1 10 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.039 0.061 18046 5696 1 10 . 1 1 58 58 GLU C C 58 179.210 179.210 179.247 -0.037 18046 5697 1 10 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.512 -0.312 18046 5698 1 10 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.629 -0.329 18046 5699 1 10 . 1 1 58 58 GLU H H 58 7.423 7.423 7.945 -0.522 18046 5700 1 10 . 1 1 59 59 THR N N 59 118.744 118.744 115.138 3.606 18046 5701 1 10 . 1 1 59 59 THR HA H 59 3.860 3.860 4.066 -0.206 18046 5702 1 10 . 1 1 59 59 THR C C 59 175.722 175.722 176.151 -0.429 18046 5703 1 10 . 1 1 59 59 THR CA C 59 67.420 67.420 66.146 1.274 18046 5704 1 10 . 1 1 59 59 THR CB C 59 68.590 68.590 68.604 -0.014 18046 5705 1 10 . 1 1 59 59 THR H H 59 8.354 8.354 8.312 0.042 18046 5706 1 10 . 1 1 60 60 ALA N N 60 122.991 122.991 123.518 -0.527 18046 5707 1 10 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.820 -0.090 18046 5708 1 10 . 1 1 60 60 ALA C C 60 178.155 178.155 179.353 -1.198 18046 5709 1 10 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.718 0.982 18046 5710 1 10 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.098 -0.298 18046 5711 1 10 . 1 1 60 60 ALA H H 60 8.294 8.294 7.357 0.937 18046 5712 1 10 . 1 1 61 61 GLN N N 61 113.649 113.649 116.926 -3.277 18046 5713 1 10 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.924 0.066 18046 5714 1 10 . 1 1 61 61 GLN C C 61 178.640 178.640 178.358 0.282 18046 5715 1 10 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.557 -0.637 18046 5716 1 10 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.469 -0.009 18046 5717 1 10 . 1 1 61 61 GLN H H 61 7.215 7.215 7.755 -0.540 18046 5718 1 10 . 1 1 62 62 GLU N N 62 120.684 120.684 118.197 2.487 18046 5719 1 10 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.057 -0.017 18046 5720 1 10 . 1 1 62 62 GLU C C 62 179.047 179.047 178.389 0.658 18046 5721 1 10 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.282 -0.082 18046 5722 1 10 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.252 0.048 18046 5723 1 10 . 1 1 62 62 GLU H H 62 8.126 8.126 7.932 0.194 18046 5724 1 10 . 1 1 63 63 TYR N N 63 122.118 122.118 119.750 2.368 18046 5725 1 10 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.290 -0.060 18046 5726 1 10 . 1 1 63 63 TYR C C 63 178.643 178.643 177.334 1.309 18046 5727 1 10 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.786 -0.686 18046 5728 1 10 . 1 1 63 63 TYR CB C 63 37.800 37.800 39.031 -1.230 18046 5729 1 10 . 1 1 63 63 TYR H H 63 8.796 8.796 7.707 1.089 18046 5730 1 10 . 1 1 64 64 LEU N N 64 119.163 119.163 119.612 -0.449 18046 5731 1 10 . 1 1 64 64 LEU HA H 64 3.680 3.680 4.011 -0.331 18046 5732 1 10 . 1 1 64 64 LEU C C 64 178.475 178.475 179.414 -0.939 18046 5733 1 10 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.085 -0.085 18046 5734 1 10 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.343 2.157 18046 5735 1 10 . 1 1 64 64 LEU H H 64 7.799 7.799 7.847 -0.048 18046 5736 1 10 . 1 1 65 65 ARG N N 65 116.868 116.868 117.925 -1.057 18046 5737 1 10 . 1 1 65 65 ARG HA H 65 4.070 4.070 3.924 0.146 18046 5738 1 10 . 1 1 65 65 ARG C C 65 177.464 177.464 177.898 -0.434 18046 5739 1 10 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.522 0.078 18046 5740 1 10 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.826 0.973 18046 5741 1 10 . 1 1 65 65 ARG H H 65 7.842 7.842 7.640 0.202 18046 5742 1 10 . 1 1 66 66 SER N N 66 112.527 112.527 113.218 -0.691 18046 5743 1 10 . 1 1 66 66 SER HA H 66 4.360 4.360 4.167 0.193 18046 5744 1 10 . 1 1 66 66 SER C C 66 174.087 174.087 174.915 -0.828 18046 5745 1 10 . 1 1 66 66 SER CA C 66 59.440 59.440 60.398 -0.958 18046 5746 1 10 . 1 1 66 66 SER CB C 66 64.120 64.120 63.766 0.354 18046 5747 1 10 . 1 1 66 66 SER H H 66 7.907 7.907 7.758 0.149 18046 5748 1 10 . 1 1 67 67 HIS N N 67 123.090 123.090 121.964 1.126 18046 5749 1 10 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.917 -0.257 18046 5750 1 10 . 1 1 67 67 HIS CA C 67 55.400 55.400 53.866 1.534 18046 5751 1 10 . 1 1 67 67 HIS CB C 67 29.600 29.600 31.488 -1.887 18046 5752 1 10 . 1 1 67 67 HIS H H 67 7.515 7.515 8.190 -0.675 18046 5753 1 10 . 1 1 68 68 PRO C C 68 176.365 176.365 176.738 -0.373 18046 5754 1 10 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.813 5.547 18046 5755 1 10 . 1 1 69 69 GLY N N 69 124.202 124.202 106.179 18.023 18046 5756 1 10 . 1 1 69 69 GLY C C 69 174.331 174.331 174.436 -0.105 18046 5757 1 10 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.526 1.173 18046 5758 1 10 . 1 1 69 69 GLY H H 69 8.166 8.166 8.029 0.137 18046 5759 1 10 . 1 1 70 70 SER N N 70 115.467 115.467 114.409 1.058 18046 5760 1 10 . 1 1 70 70 SER HA H 70 4.450 4.450 4.654 -0.204 18046 5761 1 10 . 1 1 70 70 SER C C 70 174.329 174.329 175.209 -0.880 18046 5762 1 10 . 1 1 70 70 SER CA C 70 58.640 58.640 58.837 -0.197 18046 5763 1 10 . 1 1 70 70 SER CB C 70 63.040 63.040 63.810 -0.770 18046 5764 1 10 . 1 1 70 70 SER H H 70 8.280 8.280 8.535 -0.255 18046 5765 1 10 . 1 1 71 71 ARG N N 71 120.585 120.585 120.112 0.473 18046 5766 1 10 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.437 -0.207 18046 5767 1 10 . 1 1 71 71 ARG C C 71 175.793 175.793 175.514 0.279 18046 5768 1 10 . 1 1 71 71 ARG CA C 71 55.100 55.100 56.514 -1.414 18046 5769 1 10 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.216 1.184 18046 5770 1 10 . 1 1 71 71 ARG H H 71 8.341 8.341 8.044 0.297 18046 5771 1 10 . 1 1 72 72 ASP N N 72 120.258 120.258 118.458 1.800 18046 5772 1 10 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.732 -0.292 18046 5773 1 10 . 1 1 72 72 ASP C C 72 178.038 178.038 176.225 1.813 18046 5774 1 10 . 1 1 72 72 ASP CA C 72 54.530 54.530 55.411 -0.881 18046 5775 1 10 . 1 1 72 72 ASP CB C 72 40.770 40.770 41.676 -0.906 18046 5776 1 10 . 1 1 72 72 ASP H H 72 8.471 8.471 8.301 0.170 18046 5777 1 10 . 1 1 73 73 LEU N N 73 127.518 127.518 119.690 7.828 18046 5778 1 10 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.209 -0.119 18046 5779 1 10 . 1 1 73 73 LEU C C 73 177.417 177.417 178.378 -0.961 18046 5780 1 10 . 1 1 73 73 LEU CA C 73 57.000 57.000 57.287 -0.287 18046 5781 1 10 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.454 -1.454 18046 5782 1 10 . 1 1 73 73 LEU H H 73 8.826 8.826 7.442 1.384 18046 5783 1 10 . 1 1 74 74 ASP N N 74 117.787 117.787 119.577 -1.790 18046 5784 1 10 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.458 0.282 18046 5785 1 10 . 1 1 74 74 ASP C C 74 175.765 175.765 176.379 -0.614 18046 5786 1 10 . 1 1 74 74 ASP CA C 74 53.900 53.900 56.164 -2.264 18046 5787 1 10 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.899 -0.429 18046 5788 1 10 . 1 1 74 74 ASP H H 74 8.480 8.480 8.423 0.057 18046 5789 1 10 . 1 1 75 75 THR N N 75 119.682 119.682 115.312 4.370 18046 5790 1 10 . 1 1 75 75 THR HA H 75 4.210 4.210 4.665 -0.455 18046 5791 1 10 . 1 1 75 75 THR CA C 75 62.440 62.440 58.980 3.460 18046 5792 1 10 . 1 1 75 75 THR CB C 75 70.940 70.940 69.885 1.055 18046 5793 1 10 . 1 1 75 75 THR H H 75 7.303 7.303 7.619 -0.316 18046 5794 1 10 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.370 -0.130 18046 5795 1 10 . 1 1 76 76 PRO C C 76 174.823 174.823 176.276 -1.453 18046 5796 1 10 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.289 1.311 18046 5797 1 10 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.468 0.632 18046 5798 1 10 . 1 1 77 77 ILE N N 77 121.906 121.906 118.989 2.917 18046 5799 1 10 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.908 1.082 18046 5800 1 10 . 1 1 77 77 ILE C C 77 176.571 176.571 176.799 -0.228 18046 5801 1 10 . 1 1 77 77 ILE CA C 77 59.500 59.500 61.499 -1.999 18046 5802 1 10 . 1 1 77 77 ILE CB C 77 38.100 38.100 38.552 -0.452 18046 5803 1 10 . 1 1 77 77 ILE H H 77 8.052 8.052 8.025 0.027 18046 5804 1 10 . 1 1 78 78 ILE N N 78 130.054 130.054 128.293 1.761 18046 5805 1 10 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.038 0.262 18046 5806 1 10 . 1 1 78 78 ILE C C 78 175.471 175.471 175.637 -0.166 18046 5807 1 10 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.516 -0.716 18046 5808 1 10 . 1 1 78 78 ILE CB C 78 39.300 39.300 35.893 3.407 18046 5809 1 10 . 1 1 78 78 ILE H H 78 8.977 8.977 8.142 0.835 18046 5810 1 10 . 1 1 79 79 VAL N N 79 130.072 130.072 127.642 2.430 18046 5811 1 10 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.916 0.774 18046 5812 1 10 . 1 1 79 79 VAL C C 79 176.024 176.024 175.999 0.025 18046 5813 1 10 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.564 0.336 18046 5814 1 10 . 1 1 79 79 VAL CB C 79 31.700 31.700 31.927 -0.227 18046 5815 1 10 . 1 1 79 79 VAL H H 79 8.872 8.872 7.910 0.962 18046 5816 1 10 . 1 1 80 80 VAL N N 80 129.055 129.055 126.572 2.483 18046 5817 1 10 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.301 0.119 18046 5818 1 10 . 1 1 80 80 VAL C C 80 173.028 173.028 174.579 -1.551 18046 5819 1 10 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.718 -0.718 18046 5820 1 10 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.096 1.304 18046 5821 1 10 . 1 1 80 80 VAL H H 80 9.608 9.608 8.282 1.326 18046 5822 1 10 . 1 1 81 81 LYS N N 81 123.854 123.854 123.374 0.480 18046 5823 1 10 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.596 -0.426 18046 5824 1 10 . 1 1 81 81 LYS C C 81 175.225 175.225 175.979 -0.754 18046 5825 1 10 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.949 0.151 18046 5826 1 10 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.651 -0.451 18046 5827 1 10 . 1 1 81 81 LYS H H 81 8.441 8.441 8.333 0.108 18046 5828 1 10 . 1 1 82 82 GLN N N 82 121.237 121.237 120.978 0.259 18046 5829 1 10 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.114 -0.154 18046 5830 1 10 . 1 1 82 82 GLN C C 82 177.016 177.016 176.205 0.811 18046 5831 1 10 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.615 -0.115 18046 5832 1 10 . 1 1 82 82 GLN CB C 82 28.100 28.100 28.147 -0.047 18046 5833 1 10 . 1 1 82 82 GLN H H 82 6.493 6.493 8.807 -2.314 18046 5834 1 10 . 1 1 83 83 GLY N N 83 118.629 118.629 112.742 5.887 18046 5835 1 10 . 1 1 83 83 GLY C C 83 174.491 174.491 173.360 1.131 18046 5836 1 10 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.261 1.139 18046 5837 1 10 . 1 1 83 83 GLY H H 83 10.072 10.072 8.138 1.934 18046 5838 1 10 . 1 1 84 84 PHE N N 84 120.834 120.834 119.873 0.961 18046 5839 1 10 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.619 0.291 18046 5840 1 10 . 1 1 84 84 PHE C C 84 177.056 177.056 174.249 2.807 18046 5841 1 10 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.291 -0.791 18046 5842 1 10 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.985 -2.285 18046 5843 1 10 . 1 1 84 84 PHE H H 84 8.431 8.431 7.260 1.171 18046 5844 1 10 . 1 1 85 85 GLU N N 85 125.174 125.174 125.991 -0.817 18046 5845 1 10 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.755 -0.645 18046 5846 1 10 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.589 4.291 18046 5847 1 10 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.574 -3.404 18046 5848 1 10 . 1 1 85 85 GLU H H 85 10.207 10.207 8.550 1.657 18046 5849 1 10 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.474 0.276 18046 5850 1 10 . 1 1 87 87 PRO C C 87 178.401 178.401 178.037 0.364 18046 5851 1 10 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.933 -0.433 18046 5852 1 10 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.945 -0.545 18046 5853 1 10 . 1 1 88 88 THR N N 88 107.088 107.088 112.355 -5.267 18046 5854 1 10 . 1 1 88 88 THR HA H 88 4.080 4.080 4.032 0.048 18046 5855 1 10 . 1 1 88 88 THR C C 88 174.325 174.325 175.695 -1.370 18046 5856 1 10 . 1 1 88 88 THR CA C 88 63.200 63.200 65.028 -1.828 18046 5857 1 10 . 1 1 88 88 THR CB C 88 68.300 68.300 68.130 0.170 18046 5858 1 10 . 1 1 88 88 THR H H 88 7.316 7.316 8.153 -0.837 18046 5859 1 10 . 1 1 89 89 PHE N N 89 119.031 119.031 122.105 -3.074 18046 5860 1 10 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.917 0.003 18046 5861 1 10 . 1 1 89 89 PHE C C 89 175.661 175.661 177.258 -1.597 18046 5862 1 10 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.795 -0.795 18046 5863 1 10 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.756 2.304 18046 5864 1 10 . 1 1 89 89 PHE H H 89 7.437 7.437 7.839 -0.402 18046 5865 1 10 . 1 1 90 90 THR N N 90 107.216 107.216 116.403 -9.187 18046 5866 1 10 . 1 1 90 90 THR HA H 90 3.210 3.210 3.215 -0.005 18046 5867 1 10 . 1 1 90 90 THR C C 90 177.340 177.340 176.632 0.708 18046 5868 1 10 . 1 1 90 90 THR CA C 90 65.000 65.000 67.287 -2.287 18046 5869 1 10 . 1 1 90 90 THR CB C 90 68.200 68.200 67.781 0.418 18046 5870 1 10 . 1 1 90 90 THR H H 90 7.675 7.675 7.909 -0.234 18046 5871 1 10 . 1 1 91 91 GLY N N 91 106.674 106.674 109.039 -2.365 18046 5872 1 10 . 1 1 91 91 GLY C C 91 174.591 174.591 174.679 -0.088 18046 5873 1 10 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.708 0.592 18046 5874 1 10 . 1 1 91 91 GLY H H 91 7.865 7.865 7.386 0.478 18046 5875 1 10 . 1 1 92 92 TRP N N 92 117.951 117.951 118.853 -0.902 18046 5876 1 10 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.280 0.210 18046 5877 1 10 . 1 1 92 92 TRP C C 92 174.042 174.042 176.441 -2.399 18046 5878 1 10 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.985 0.485 18046 5879 1 10 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.343 0.287 18046 5880 1 10 . 1 1 92 92 TRP H H 92 7.018 7.018 7.169 -0.151 18046 5881 1 10 . 1 1 93 93 PHE N N 93 118.863 118.863 115.849 3.014 18046 5882 1 10 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.213 0.397 18046 5883 1 10 . 1 1 93 93 PHE C C 93 175.872 175.872 177.005 -1.133 18046 5884 1 10 . 1 1 93 93 PHE CA C 93 56.900 56.900 57.042 -0.142 18046 5885 1 10 . 1 1 93 93 PHE CB C 93 40.800 40.800 39.898 0.902 18046 5886 1 10 . 1 1 93 93 PHE H H 93 7.956 7.956 7.603 0.353 18046 5887 1 10 . 1 1 94 94 MET N N 94 121.781 121.781 119.082 2.699 18046 5888 1 10 . 1 1 94 94 MET HA H 94 4.200 4.200 4.175 0.025 18046 5889 1 10 . 1 1 94 94 MET C C 94 175.794 175.794 175.968 -0.174 18046 5890 1 10 . 1 1 94 94 MET CA C 94 57.900 57.900 56.740 1.160 18046 5891 1 10 . 1 1 94 94 MET CB C 94 32.300 32.300 32.497 -0.197 18046 5892 1 10 . 1 1 94 94 MET H H 94 8.825 8.825 8.574 0.251 18046 5893 1 10 . 1 1 95 95 ALA N N 95 120.648 120.648 122.405 -1.757 18046 5894 1 10 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.401 0.039 18046 5895 1 10 . 1 1 95 95 ALA C C 95 175.600 175.600 176.546 -0.946 18046 5896 1 10 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.970 0.830 18046 5897 1 10 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.852 1.948 18046 5898 1 10 . 1 1 95 95 ALA H H 95 8.037 8.037 7.558 0.479 18046 5899 1 10 . 1 1 96 96 TRP N N 96 121.009 121.009 123.599 -2.590 18046 5900 1 10 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.362 -0.152 18046 5901 1 10 . 1 1 96 96 TRP C C 96 174.409 174.409 175.868 -1.459 18046 5902 1 10 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.450 0.350 18046 5903 1 10 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.956 0.544 18046 5904 1 10 . 1 1 96 96 TRP H H 96 8.481 8.481 8.365 0.116 18046 5905 1 10 . 1 1 97 97 ASP N N 97 128.963 128.963 121.745 7.218 18046 5906 1 10 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.058 0.032 18046 5907 1 10 . 1 1 97 97 ASP CA C 97 49.560 49.560 51.242 -1.682 18046 5908 1 10 . 1 1 97 97 ASP CB C 97 42.530 42.530 43.301 -0.771 18046 5909 1 10 . 1 1 97 97 ASP H H 97 8.850 8.850 8.964 -0.114 18046 5910 1 10 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.352 0.158 18046 5911 1 10 . 1 1 98 98 PRO C C 98 177.169 177.169 177.407 -0.238 18046 5912 1 10 . 1 1 98 98 PRO CA C 98 64.200 64.200 63.997 0.203 18046 5913 1 10 . 1 1 98 98 PRO CB C 98 32.570 32.570 32.071 0.499 18046 5914 1 10 . 1 1 99 99 LEU N N 99 118.381 118.381 119.825 -1.444 18046 5915 1 10 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.473 0.057 18046 5916 1 10 . 1 1 99 99 LEU C C 99 177.338 177.338 178.021 -0.683 18046 5917 1 10 . 1 1 99 99 LEU CA C 99 54.550 54.550 54.680 -0.130 18046 5918 1 10 . 1 1 99 99 LEU CB C 99 40.750 40.750 40.639 0.111 18046 5919 1 10 . 1 1 99 99 LEU H H 99 8.372 8.372 7.915 0.457 18046 5920 1 10 . 1 1 100 100 CYS N N 100 119.396 119.396 119.171 0.225 18046 5921 1 10 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.312 -0.702 18046 5922 1 10 . 1 1 100 100 CYS C C 100 174.820 174.820 176.063 -1.243 18046 5923 1 10 . 1 1 100 100 CYS CA C 100 61.500 61.500 62.436 -0.936 18046 5924 1 10 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.642 0.658 18046 5925 1 10 . 1 1 100 100 CYS H H 100 7.052 7.052 7.783 -0.731 18046 5926 1 10 . 1 1 101 101 TRP N N 101 115.737 115.737 121.241 -5.504 18046 5927 1 10 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.642 0.138 18046 5928 1 10 . 1 1 101 101 TRP C C 101 176.485 176.485 176.085 0.400 18046 5929 1 10 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.001 1.899 18046 5930 1 10 . 1 1 101 101 TRP CB C 101 28.100 28.100 27.961 0.139 18046 5931 1 10 . 1 1 101 101 TRP H H 101 7.625 7.625 7.786 -0.161 18046 5932 1 10 . 1 1 102 102 SER N N 102 115.896 115.896 115.604 0.292 18046 5933 1 10 . 1 1 102 102 SER HA H 102 4.520 4.520 4.280 0.240 18046 5934 1 10 . 1 1 102 102 SER C C 102 174.333 174.333 175.758 -1.425 18046 5935 1 10 . 1 1 102 102 SER CA C 102 59.200 59.200 60.793 -1.593 18046 5936 1 10 . 1 1 102 102 SER CB C 102 64.100 64.100 63.064 1.036 18046 5937 1 10 . 1 1 102 102 SER H H 102 7.916 7.916 7.748 0.168 18046 5938 1 10 . 1 1 103 103 ASP N N 103 122.262 122.262 120.161 2.101 18046 5939 1 10 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.800 -0.140 18046 5940 1 10 . 1 1 103 103 ASP C C 103 176.129 176.129 178.164 -2.035 18046 5941 1 10 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.382 -0.682 18046 5942 1 10 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.201 -0.201 18046 5943 1 10 . 1 1 103 103 ASP H H 103 8.450 8.450 7.973 0.477 18046 5944 1 10 . 1 1 104 104 ARG N N 104 120.795 120.795 119.994 0.801 18046 5945 1 10 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.875 0.455 18046 5946 1 10 . 1 1 104 104 ARG C C 104 176.283 176.283 177.753 -1.470 18046 5947 1 10 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.068 -1.868 18046 5948 1 10 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.498 1.252 18046 5949 1 10 . 1 1 104 104 ARG H H 104 8.117 8.117 7.562 0.555 18046 5950 1 10 . 1 1 105 105 LYS N N 105 122.131 122.131 117.033 5.098 18046 5951 1 10 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.322 0.023 18046 5952 1 10 . 1 1 105 105 LYS C C 105 176.284 176.284 176.575 -0.291 18046 5953 1 10 . 1 1 105 105 LYS CA C 105 56.300 56.300 56.554 -0.254 18046 5954 1 10 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.895 0.205 18046 5955 1 10 . 1 1 105 105 LYS H H 105 8.294 8.294 7.979 0.315 18046 5956 1 10 . 1 1 106 106 SER N N 106 116.993 116.993 114.000 2.993 18046 5957 1 10 . 1 1 106 106 SER HA H 106 4.470 4.470 4.595 -0.125 18046 5958 1 10 . 1 1 106 106 SER CA C 106 58.300 58.300 57.553 0.747 18046 5959 1 10 . 1 1 106 106 SER CB C 106 64.200 64.200 64.790 -0.590 18046 5960 1 10 . 1 1 106 106 SER H H 106 8.235 8.235 7.526 0.709 18046 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 100 3.928 -0.679 3.888 18046 2 1 1 "Average Difference" HA 109 0.409 -0.099 0.399 18046 3 1 1 "Average Difference" C 98 1.100 0.121 1.099 18046 4 1 1 "Average Difference" CA 103 1.200 -0.052 1.204 18046 5 1 1 "Average Difference" CB 98 1.362 -0.161 1.359 18046 6 1 1 "Average Difference" HN 100 0.752 -0.325 0.682 18046 7 1 2 "Average Difference" N 100 3.944 -0.612 3.916 18046 8 1 2 "Average Difference" HA 109 0.400 -0.097 0.390 18046 9 1 2 "Average Difference" C 98 1.119 0.167 1.112 18046 10 1 2 "Average Difference" CA 103 1.222 0.010 1.228 18046 11 1 2 "Average Difference" CB 98 1.344 -0.228 1.331 18046 12 1 2 "Average Difference" HN 100 0.741 -0.333 0.666 18046 13 1 3 "Average Difference" N 100 3.766 -0.478 3.755 18046 14 1 3 "Average Difference" HA 109 0.410 -0.106 0.398 18046 15 1 3 "Average Difference" C 98 1.131 0.226 1.114 18046 16 1 3 "Average Difference" CA 103 1.199 0.019 1.205 18046 17 1 3 "Average Difference" CB 98 1.300 -0.270 1.278 18046 18 1 3 "Average Difference" HN 100 0.746 -0.325 0.674 18046 19 1 4 "Average Difference" N 100 3.829 -0.556 3.807 18046 20 1 4 "Average Difference" HA 109 0.401 -0.109 0.388 18046 21 1 4 "Average Difference" C 98 1.145 0.236 1.126 18046 22 1 4 "Average Difference" CA 103 1.174 0.008 1.180 18046 23 1 4 "Average Difference" CB 98 1.343 -0.218 1.332 18046 24 1 4 "Average Difference" HN 100 0.730 -0.323 0.658 18046 25 1 5 "Average Difference" N 100 3.953 -0.595 3.927 18046 26 1 5 "Average Difference" HA 109 0.407 -0.096 0.398 18046 27 1 5 "Average Difference" C 98 1.137 0.170 1.130 18046 28 1 5 "Average Difference" CA 103 1.201 -0.024 1.206 18046 29 1 5 "Average Difference" CB 98 1.392 -0.184 1.386 18046 30 1 5 "Average Difference" HN 100 0.746 -0.334 0.670 18046 31 1 6 "Average Difference" N 100 3.772 -0.489 3.759 18046 32 1 6 "Average Difference" HA 109 0.404 -0.094 0.395 18046 33 1 6 "Average Difference" C 98 1.133 0.201 1.121 18046 34 1 6 "Average Difference" CA 103 1.221 0.020 1.226 18046 35 1 6 "Average Difference" CB 98 1.320 -0.171 1.315 18046 36 1 6 "Average Difference" HN 100 0.755 -0.349 0.672 18046 37 1 7 "Average Difference" N 100 3.900 -0.520 3.884 18046 38 1 7 "Average Difference" HA 109 0.412 -0.090 0.404 18046 39 1 7 "Average Difference" C 98 1.152 0.193 1.141 18046 40 1 7 "Average Difference" CA 103 1.279 0.010 1.286 18046 41 1 7 "Average Difference" CB 98 1.343 -0.215 1.333 18046 42 1 7 "Average Difference" HN 100 0.763 -0.323 0.695 18046 43 1 8 "Average Difference" N 100 3.911 -0.536 3.894 18046 44 1 8 "Average Difference" HA 109 0.395 -0.086 0.388 18046 45 1 8 "Average Difference" C 98 1.121 0.158 1.115 18046 46 1 8 "Average Difference" CA 103 1.220 -0.046 1.225 18046 47 1 8 "Average Difference" CB 98 1.346 -0.223 1.335 18046 48 1 8 "Average Difference" HN 100 0.758 -0.320 0.691 18046 49 1 9 "Average Difference" N 100 3.887 -0.546 3.867 18046 50 1 9 "Average Difference" HA 109 0.413 -0.092 0.405 18046 51 1 9 "Average Difference" C 98 1.135 0.144 1.132 18046 52 1 9 "Average Difference" CA 103 1.247 -0.007 1.253 18046 53 1 9 "Average Difference" CB 98 1.351 -0.149 1.350 18046 54 1 9 "Average Difference" HN 100 0.750 -0.333 0.676 18046 55 1 10 "Average Difference" N 100 3.869 -0.577 3.845 18046 56 1 10 "Average Difference" HA 109 0.422 -0.084 0.415 18046 57 1 10 "Average Difference" C 98 1.142 0.203 1.130 18046 58 1 10 "Average Difference" CA 103 1.254 -0.016 1.260 18046 59 1 10 "Average Difference" CB 98 1.371 -0.214 1.361 18046 60 1 10 "Average Difference" HN 100 0.767 -0.328 0.697 18046 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 18046 _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 ARG N N 2 117.203 117.203 118.825 -1.622 18046 2 1 . 1 1 2 2 ARG HA H 2 5.050 5.050 4.740 0.310 18046 3 1 . 1 1 2 2 ARG C C 2 172.726 172.726 174.655 -1.929 18046 4 1 . 1 1 2 2 ARG CA C 2 55.200 55.200 54.540 0.660 18046 5 1 . 1 1 2 2 ARG CB C 2 29.900 29.900 32.410 -2.510 18046 6 1 . 1 1 2 2 ARG H H 2 8.108 8.108 7.904 0.204 18046 7 1 . 1 1 3 3 LEU N N 3 125.261 125.261 119.573 5.688 18046 8 1 . 1 1 3 3 LEU HA H 3 5.220 5.220 4.968 0.252 18046 9 1 . 1 1 3 3 LEU C C 3 174.166 174.166 175.489 -1.323 18046 10 1 . 1 1 3 3 LEU CA C 3 53.000 53.000 53.219 -0.219 18046 11 1 . 1 1 3 3 LEU CB C 3 45.400 45.400 45.159 0.241 18046 12 1 . 1 1 3 3 LEU H H 3 8.542 8.542 8.164 0.378 18046 13 1 . 1 1 4 4 PHE N N 4 123.490 123.490 116.594 6.896 18046 14 1 . 1 1 4 4 PHE HA H 4 5.100 5.100 4.789 0.310 18046 15 1 . 1 1 4 4 PHE C C 4 174.820 174.820 174.594 0.226 18046 16 1 . 1 1 4 4 PHE CA C 4 56.290 56.290 57.359 -1.069 18046 17 1 . 1 1 4 4 PHE CB C 4 41.350 41.350 40.924 0.426 18046 18 1 . 1 1 4 4 PHE H H 4 9.591 9.591 8.688 0.903 18046 19 1 . 1 1 5 5 GLU N N 5 125.718 125.718 124.968 0.750 18046 20 1 . 1 1 5 5 GLU HA H 5 4.020 4.020 4.877 -0.857 18046 21 1 . 1 1 5 5 GLU C C 5 174.892 174.892 175.782 -0.890 18046 22 1 . 1 1 5 5 GLU CA C 5 56.100 56.100 56.396 -0.296 18046 23 1 . 1 1 5 5 GLU CB C 5 32.850 32.850 30.458 2.392 18046 24 1 . 1 1 5 5 GLU H H 5 9.484 9.484 8.509 0.975 18046 25 1 . 1 1 6 6 CYS N N 6 127.915 127.915 126.032 1.883 18046 26 1 . 1 1 6 6 CYS HA H 6 5.020 5.020 5.113 -0.093 18046 27 1 . 1 1 6 6 CYS C C 6 172.378 172.378 173.846 -1.468 18046 28 1 . 1 1 6 6 CYS CA C 6 58.000 58.000 57.255 0.746 18046 29 1 . 1 1 6 6 CYS CB C 6 29.300 29.300 28.900 0.400 18046 30 1 . 1 1 6 6 CYS H H 6 8.937 8.937 8.291 0.646 18046 31 1 . 1 1 7 7 SER N N 7 113.574 113.574 118.265 -4.691 18046 32 1 . 1 1 7 7 SER HA H 7 5.420 5.420 4.887 0.533 18046 33 1 . 1 1 7 7 SER C C 7 175.632 175.632 172.926 2.706 18046 34 1 . 1 1 7 7 SER CA C 7 55.400 55.400 56.562 -1.162 18046 35 1 . 1 1 7 7 SER CB C 7 65.900 65.900 65.964 -0.064 18046 36 1 . 1 1 7 7 SER H H 7 7.873 7.873 8.190 -0.317 18046 37 1 . 1 1 8 8 ASN N N 8 126.153 126.153 121.717 4.436 18046 38 1 . 1 1 8 8 ASN HA H 8 5.640 5.640 5.115 0.525 18046 39 1 . 1 1 8 8 ASN C C 8 178.392 178.392 175.701 2.691 18046 40 1 . 1 1 8 8 ASN CA C 8 51.500 51.500 52.669 -1.169 18046 41 1 . 1 1 8 8 ASN CB C 8 38.100 38.100 39.107 -1.008 18046 42 1 . 1 1 8 8 ASN H H 8 10.299 10.299 8.840 1.459 18046 43 1 . 1 1 9 9 LYS N N 9 123.420 123.420 123.546 -0.127 18046 44 1 . 1 1 9 9 LYS HA H 9 4.230 4.230 4.166 0.064 18046 45 1 . 1 1 9 9 LYS C C 9 177.891 177.891 177.285 0.606 18046 46 1 . 1 1 9 9 LYS CA C 9 59.800 59.800 59.135 0.665 18046 47 1 . 1 1 9 9 LYS CB C 9 31.900 31.900 32.870 -0.970 18046 48 1 . 1 1 9 9 LYS H H 9 9.064 9.064 8.489 0.575 18046 49 1 . 1 1 10 10 THR N N 10 110.292 110.292 108.367 1.925 18046 50 1 . 1 1 10 10 THR HA H 10 4.480 4.480 4.478 0.002 18046 51 1 . 1 1 10 10 THR C C 10 175.392 175.392 175.814 -0.421 18046 52 1 . 1 1 10 10 THR CA C 10 63.100 63.100 62.380 0.720 18046 53 1 . 1 1 10 10 THR CB C 10 70.100 70.100 70.030 0.070 18046 54 1 . 1 1 10 10 THR H H 10 8.525 8.525 7.906 0.619 18046 55 1 . 1 1 11 11 GLY N N 11 110.668 110.668 110.186 0.482 18046 56 1 . 1 1 11 11 GLY C C 11 172.867 172.867 173.653 -0.786 18046 57 1 . 1 1 11 11 GLY CA C 11 44.700 44.700 45.112 -0.412 18046 58 1 . 1 1 11 11 GLY H H 11 8.266 8.266 8.111 0.155 18046 59 1 . 1 1 12 12 ARG N N 12 118.170 118.170 120.287 -2.118 18046 60 1 . 1 1 12 12 ARG HA H 12 4.660 4.660 4.707 -0.047 18046 61 1 . 1 1 12 12 ARG C C 12 173.924 173.924 174.589 -0.665 18046 62 1 . 1 1 12 12 ARG CA C 12 53.900 53.900 54.737 -0.837 18046 63 1 . 1 1 12 12 ARG CB C 12 32.800 32.800 32.928 -0.128 18046 64 1 . 1 1 12 12 ARG H H 12 7.538 7.538 7.833 -0.295 18046 65 1 . 1 1 13 13 PHE N N 13 121.956 121.956 123.160 -1.204 18046 66 1 . 1 1 13 13 PHE HA H 13 4.534 4.534 4.585 -0.051 18046 67 1 . 1 1 13 13 PHE C C 13 174.005 174.005 174.235 -0.230 18046 68 1 . 1 1 13 13 PHE CA C 13 59.500 59.500 57.609 1.891 18046 69 1 . 1 1 13 13 PHE CB C 13 39.000 39.000 39.995 -0.995 18046 70 1 . 1 1 13 13 PHE H H 13 8.926 8.926 8.632 0.293 18046 71 1 . 1 1 14 14 LEU N N 14 129.824 129.824 127.154 2.670 18046 72 1 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.237 0.073 18046 73 1 . 1 1 14 14 LEU C C 14 173.801 173.801 174.145 -0.344 18046 74 1 . 1 1 14 14 LEU CA C 14 54.200 54.200 52.891 1.309 18046 75 1 . 1 1 14 14 LEU CB C 14 46.600 46.600 45.047 1.553 18046 76 1 . 1 1 14 14 LEU H H 14 8.114 8.114 7.329 0.785 18046 77 1 . 1 1 15 15 ALA N N 15 125.201 125.201 125.492 -0.291 18046 78 1 . 1 1 15 15 ALA HA H 15 5.530 5.530 4.388 1.142 18046 79 1 . 1 1 15 15 ALA C C 15 177.178 177.178 176.450 0.728 18046 80 1 . 1 1 15 15 ALA CA C 15 49.800 49.800 51.315 -1.515 18046 81 1 . 1 1 15 15 ALA CB C 15 20.800 20.800 20.325 0.475 18046 82 1 . 1 1 15 15 ALA H H 15 8.234 8.234 8.188 0.046 18046 83 1 . 1 1 16 16 THR N N 16 119.393 119.393 119.071 0.322 18046 84 1 . 1 1 16 16 THR HA H 16 4.654 4.654 4.527 0.128 18046 85 1 . 1 1 16 16 THR C C 16 173.434 173.434 172.586 0.848 18046 86 1 . 1 1 16 16 THR CA C 16 61.261 61.261 61.075 0.186 18046 87 1 . 1 1 16 16 THR CB C 16 71.500 71.500 71.579 -0.079 18046 88 1 . 1 1 16 16 THR H H 16 9.149 9.149 8.030 1.119 18046 89 1 . 1 1 17 17 GLU N N 17 128.928 128.928 123.845 5.083 18046 90 1 . 1 1 17 17 GLU HA H 17 4.390 4.390 4.456 -0.066 18046 91 1 . 1 1 17 17 GLU C C 17 175.799 175.799 174.954 0.845 18046 92 1 . 1 1 17 17 GLU CA C 17 56.800 56.800 55.001 1.799 18046 93 1 . 1 1 17 17 GLU CB C 17 29.400 29.400 31.524 -2.124 18046 94 1 . 1 1 17 17 GLU H H 17 9.269 9.269 8.551 0.718 18046 95 1 . 1 1 18 18 ILE N N 18 129.185 129.185 126.051 3.134 18046 96 1 . 1 1 18 18 ILE HA H 18 4.390 4.390 4.072 0.318 18046 97 1 . 1 1 18 18 ILE C C 18 176.202 176.202 174.680 1.522 18046 98 1 . 1 1 18 18 ILE CA C 18 59.700 59.700 58.515 1.185 18046 99 1 . 1 1 18 18 ILE CB C 18 38.100 38.100 39.729 -1.629 18046 100 1 . 1 1 18 18 ILE H H 18 8.814 8.814 8.261 0.553 18046 101 1 . 1 1 19 19 VAL N N 19 127.068 127.068 125.736 1.332 18046 102 1 . 1 1 19 19 VAL HA H 19 4.280 4.280 3.672 0.608 18046 103 1 . 1 1 19 19 VAL C C 19 175.632 175.632 176.090 -0.458 18046 104 1 . 1 1 19 19 VAL CA C 19 62.600 62.600 63.696 -1.096 18046 105 1 . 1 1 19 19 VAL CB C 19 32.500 32.500 32.169 0.331 18046 106 1 . 1 1 19 19 VAL H H 19 8.600 8.600 8.053 0.547 18046 107 1 . 1 1 20 20 ASP N N 20 122.793 122.793 123.536 -0.743 18046 108 1 . 1 1 20 20 ASP HA H 20 4.290 4.290 4.144 0.146 18046 109 1 . 1 1 20 20 ASP C C 20 175.742 175.742 175.206 0.536 18046 110 1 . 1 1 20 20 ASP CA C 20 55.100 55.100 55.432 -0.332 18046 111 1 . 1 1 20 20 ASP CB C 20 39.000 39.000 39.941 -0.941 18046 112 1 . 1 1 20 20 ASP H H 20 9.037 9.037 8.330 0.707 18046 113 1 . 1 1 21 21 PHE N N 21 113.443 113.443 123.474 -10.031 18046 114 1 . 1 1 21 21 PHE HA H 21 4.810 4.810 4.694 0.116 18046 115 1 . 1 1 21 21 PHE C C 21 175.062 175.062 175.445 -0.383 18046 116 1 . 1 1 21 21 PHE CA C 21 56.200 56.200 55.313 0.887 18046 117 1 . 1 1 21 21 PHE CB C 21 41.900 41.900 42.254 -0.354 18046 118 1 . 1 1 21 21 PHE H H 21 6.542 6.542 7.582 -1.040 18046 119 1 . 1 1 22 22 THR N N 22 112.200 112.200 112.048 0.152 18046 120 1 . 1 1 22 22 THR HA H 22 4.900 4.900 4.807 0.093 18046 121 1 . 1 1 22 22 THR C C 22 175.307 175.307 175.683 -0.376 18046 122 1 . 1 1 22 22 THR CA C 22 60.400 60.400 60.507 -0.107 18046 123 1 . 1 1 22 22 THR CB C 22 73.300 73.300 71.099 2.201 18046 124 1 . 1 1 22 22 THR H H 22 9.640 9.640 8.181 1.459 18046 125 1 . 1 1 23 23 GLN N N 23 122.406 122.406 118.734 3.672 18046 126 1 . 1 1 23 23 GLN HA H 23 3.680 3.680 4.143 -0.463 18046 127 1 . 1 1 23 23 GLN C C 23 176.527 176.527 177.154 -0.627 18046 128 1 . 1 1 23 23 GLN CA C 23 59.000 59.000 58.272 0.728 18046 129 1 . 1 1 23 23 GLN CB C 23 27.600 27.600 28.200 -0.600 18046 130 1 . 1 1 23 23 GLN H H 23 9.766 9.766 8.710 1.056 18046 131 1 . 1 1 24 24 ASP N N 24 114.153 114.153 120.204 -6.051 18046 132 1 . 1 1 24 24 ASP HA H 24 4.100 4.100 4.460 -0.360 18046 133 1 . 1 1 24 24 ASP C C 24 176.528 176.528 177.373 -0.844 18046 134 1 . 1 1 24 24 ASP CA C 24 55.900 55.900 56.777 -0.877 18046 135 1 . 1 1 24 24 ASP CB C 24 40.760 40.760 40.517 0.243 18046 136 1 . 1 1 24 24 ASP H H 24 7.760 7.760 7.812 -0.052 18046 137 1 . 1 1 25 25 ASP N N 25 116.379 116.379 117.026 -0.647 18046 138 1 . 1 1 25 25 ASP HA H 25 4.540 4.540 4.721 -0.181 18046 139 1 . 1 1 25 25 ASP C C 25 175.059 175.059 176.123 -1.064 18046 140 1 . 1 1 25 25 ASP CA C 25 56.200 56.200 55.050 1.150 18046 141 1 . 1 1 25 25 ASP CB C 25 42.500 42.500 41.751 0.749 18046 142 1 . 1 1 25 25 ASP H H 25 7.655 7.655 8.159 -0.504 18046 143 1 . 1 1 26 26 LEU N N 26 118.095 118.095 122.659 -4.564 18046 144 1 . 1 1 26 26 LEU HA H 26 3.280 3.280 4.150 -0.870 18046 145 1 . 1 1 26 26 LEU C C 26 174.177 174.177 176.447 -2.270 18046 146 1 . 1 1 26 26 LEU CA C 26 53.900 53.900 55.395 -1.495 18046 147 1 . 1 1 26 26 LEU CB C 26 39.300 39.300 40.936 -1.636 18046 148 1 . 1 1 26 26 LEU H H 26 7.309 7.309 7.199 0.110 18046 149 1 . 1 1 27 27 ASP N N 27 127.757 127.757 126.661 1.096 18046 150 1 . 1 1 27 27 ASP HA H 27 4.800 4.800 4.584 0.216 18046 151 1 . 1 1 27 27 ASP C C 27 177.178 177.178 177.158 0.020 18046 152 1 . 1 1 27 27 ASP CA C 27 54.500 54.500 55.135 -0.635 18046 153 1 . 1 1 27 27 ASP CB C 27 43.500 43.500 41.785 1.715 18046 154 1 . 1 1 27 27 ASP H H 27 8.612 8.612 8.266 0.346 18046 155 1 . 1 1 28 28 GLU N N 28 124.674 124.674 119.627 5.047 18046 156 1 . 1 1 28 28 GLU HA H 28 4.390 4.390 4.188 0.202 18046 157 1 . 1 1 28 28 GLU C C 28 175.019 175.019 176.511 -1.492 18046 158 1 . 1 1 28 28 GLU CA C 28 57.700 57.700 58.938 -1.238 18046 159 1 . 1 1 28 28 GLU CB C 28 29.600 29.600 30.269 -0.669 18046 160 1 . 1 1 28 28 GLU H H 28 8.632 8.632 8.771 -0.139 18046 161 1 . 1 1 29 29 ASN N N 29 115.882 115.882 118.441 -2.559 18046 162 1 . 1 1 29 29 ASN HA H 29 4.630 4.630 4.979 -0.349 18046 163 1 . 1 1 29 29 ASN C C 29 175.382 175.382 173.543 1.839 18046 164 1 . 1 1 29 29 ASN CA C 29 52.800 52.800 52.809 -0.009 18046 165 1 . 1 1 29 29 ASN CB C 29 40.000 40.000 39.603 0.397 18046 166 1 . 1 1 29 29 ASN H H 29 9.360 9.360 8.288 1.072 18046 167 1 . 1 1 30 30 ASP N N 30 127.013 127.013 121.830 5.183 18046 168 1 . 1 1 30 30 ASP HA H 30 5.550 5.550 4.784 0.766 18046 169 1 . 1 1 30 30 ASP C C 30 172.009 172.009 174.477 -2.468 18046 170 1 . 1 1 30 30 ASP CA C 30 54.200 54.200 53.194 1.006 18046 171 1 . 1 1 30 30 ASP CB C 30 44.800 44.800 44.943 -0.143 18046 172 1 . 1 1 30 30 ASP H H 30 8.710 8.710 8.306 0.404 18046 173 1 . 1 1 31 31 VAL N N 31 112.784 112.784 120.537 -7.753 18046 174 1 . 1 1 31 31 VAL HA H 31 5.400 5.400 4.240 1.160 18046 175 1 . 1 1 31 31 VAL C C 31 173.273 173.273 175.059 -1.786 18046 176 1 . 1 1 31 31 VAL CA C 31 60.000 60.000 62.010 -2.010 18046 177 1 . 1 1 31 31 VAL CB C 31 34.800 34.800 31.364 3.436 18046 178 1 . 1 1 31 31 VAL H H 31 7.364 7.364 8.391 -1.027 18046 179 1 . 1 1 32 32 TYR N N 32 120.917 120.917 126.305 -5.388 18046 180 1 . 1 1 32 32 TYR HA H 32 5.670 5.670 5.395 0.275 18046 181 1 . 1 1 32 32 TYR C C 32 174.735 174.735 175.338 -0.603 18046 182 1 . 1 1 32 32 TYR CA C 32 56.800 56.800 55.420 1.380 18046 183 1 . 1 1 32 32 TYR CB C 32 43.100 43.100 41.517 1.583 18046 184 1 . 1 1 32 32 TYR H H 32 9.698 9.698 8.003 1.695 18046 185 1 . 1 1 33 33 LEU N N 33 119.790 119.790 120.338 -0.548 18046 186 1 . 1 1 33 33 LEU HA H 33 5.710 5.710 4.611 1.099 18046 187 1 . 1 1 33 33 LEU C C 33 175.551 175.551 175.251 0.300 18046 188 1 . 1 1 33 33 LEU CA C 33 52.480 52.480 54.508 -2.028 18046 189 1 . 1 1 33 33 LEU CB C 33 44.285 44.285 44.251 0.034 18046 190 1 . 1 1 33 33 LEU H H 33 9.111 9.111 8.750 0.361 18046 191 1 . 1 1 34 34 LEU N N 34 125.829 125.829 127.067 -1.238 18046 192 1 . 1 1 34 34 LEU HA H 34 5.410 5.410 5.089 0.321 18046 193 1 . 1 1 34 34 LEU C C 34 174.819 174.819 174.763 0.055 18046 194 1 . 1 1 34 34 LEU CA C 34 53.320 53.320 53.381 -0.061 18046 195 1 . 1 1 34 34 LEU CB C 34 44.580 44.580 45.107 -0.527 18046 196 1 . 1 1 34 34 LEU H H 34 9.847 9.847 8.184 1.663 18046 197 1 . 1 1 35 35 ASP N N 35 126.739 126.739 128.342 -1.603 18046 198 1 . 1 1 35 35 ASP HA H 35 5.140 5.140 4.990 0.150 18046 199 1 . 1 1 35 35 ASP C C 35 176.690 176.690 175.537 1.153 18046 200 1 . 1 1 35 35 ASP CA C 35 53.600 53.600 53.978 -0.378 18046 201 1 . 1 1 35 35 ASP CB C 35 42.200 42.200 41.112 1.088 18046 202 1 . 1 1 35 35 ASP H H 35 9.740 9.740 8.639 1.101 18046 203 1 . 1 1 36 36 THR N N 36 118.603 118.603 114.159 4.444 18046 204 1 . 1 1 36 36 THR HA H 36 4.290 4.290 4.279 0.011 18046 205 1 . 1 1 36 36 THR C C 36 175.471 175.471 174.473 0.998 18046 206 1 . 1 1 36 36 THR CA C 36 60.800 60.800 59.548 1.252 18046 207 1 . 1 1 36 36 THR CB C 36 68.500 68.500 70.586 -2.086 18046 208 1 . 1 1 36 36 THR H H 36 8.596 8.596 7.733 0.863 18046 209 1 . 1 1 37 37 TRP N N 37 122.021 122.021 122.289 -0.268 18046 210 1 . 1 1 37 37 TRP HA H 37 4.050 4.050 4.455 -0.405 18046 211 1 . 1 1 37 37 TRP C C 37 177.341 177.341 176.952 0.389 18046 212 1 . 1 1 37 37 TRP CA C 37 61.800 61.800 59.198 2.602 18046 213 1 . 1 1 37 37 TRP CB C 37 29.000 29.000 29.534 -0.534 18046 214 1 . 1 1 37 37 TRP H H 37 9.090 9.090 8.302 0.788 18046 215 1 . 1 1 38 38 ASP N N 38 117.786 117.786 117.639 0.147 18046 216 1 . 1 1 38 38 ASP HA H 38 4.390 4.390 4.582 -0.192 18046 217 1 . 1 1 38 38 ASP CA C 38 56.000 56.000 56.191 -0.191 18046 218 1 . 1 1 38 38 ASP CB C 38 41.300 41.300 41.845 -0.545 18046 219 1 . 1 1 38 38 ASP H H 38 8.676 8.676 8.021 0.655 18046 220 1 . 1 1 39 39 GLN N N 39 110.693 110.693 114.451 -3.758 18046 221 1 . 1 1 39 39 GLN HA H 39 4.490 4.490 4.476 0.014 18046 222 1 . 1 1 39 39 GLN C C 39 173.398 173.398 174.356 -0.958 18046 223 1 . 1 1 39 39 GLN CA C 39 54.800 54.800 55.327 -0.527 18046 224 1 . 1 1 39 39 GLN CB C 39 32.200 32.200 31.584 0.616 18046 225 1 . 1 1 39 39 GLN H H 39 7.325 7.325 7.888 -0.563 18046 226 1 . 1 1 40 40 ILE N N 40 120.287 120.287 122.629 -2.342 18046 227 1 . 1 1 40 40 ILE HA H 40 4.980 4.980 4.568 0.412 18046 228 1 . 1 1 40 40 ILE C C 40 175.143 175.143 175.796 -0.653 18046 229 1 . 1 1 40 40 ILE CA C 40 60.100 60.100 61.570 -1.470 18046 230 1 . 1 1 40 40 ILE CB C 40 39.700 39.700 38.395 1.305 18046 231 1 . 1 1 40 40 ILE H H 40 8.663 8.663 8.606 0.057 18046 232 1 . 1 1 41 41 PHE N N 41 124.653 124.653 127.330 -2.678 18046 233 1 . 1 1 41 41 PHE HA H 41 5.490 5.490 4.857 0.633 18046 234 1 . 1 1 41 41 PHE C C 41 174.167 174.167 175.154 -0.987 18046 235 1 . 1 1 41 41 PHE CA C 41 57.400 57.400 57.267 0.133 18046 236 1 . 1 1 41 41 PHE CB C 41 42.200 42.200 40.081 2.119 18046 237 1 . 1 1 41 41 PHE H H 41 9.555 9.555 9.274 0.281 18046 238 1 . 1 1 42 42 PHE N N 42 128.681 128.681 125.334 3.348 18046 239 1 . 1 1 42 42 PHE HA H 42 5.580 5.580 4.917 0.663 18046 240 1 . 1 1 42 42 PHE C C 42 172.940 172.940 174.905 -1.965 18046 241 1 . 1 1 42 42 PHE CA C 42 54.700 54.700 56.218 -1.518 18046 242 1 . 1 1 42 42 PHE CB C 42 41.000 41.000 39.149 1.851 18046 243 1 . 1 1 42 42 PHE H H 42 9.647 9.647 8.430 1.217 18046 244 1 . 1 1 43 43 TRP N N 43 128.634 128.634 126.240 2.394 18046 245 1 . 1 1 43 43 TRP HA H 43 5.280 5.280 4.815 0.465 18046 246 1 . 1 1 43 43 TRP C C 43 175.877 175.877 174.669 1.208 18046 247 1 . 1 1 43 43 TRP CA C 43 58.000 58.000 56.651 1.349 18046 248 1 . 1 1 43 43 TRP CB C 43 32.200 32.200 29.933 2.267 18046 249 1 . 1 1 43 43 TRP H H 43 9.997 9.997 8.840 1.157 18046 250 1 . 1 1 44 44 ILE N N 44 126.166 126.166 126.125 0.041 18046 251 1 . 1 1 44 44 ILE HA H 44 4.150 4.150 4.553 -0.403 18046 252 1 . 1 1 44 44 ILE C C 44 175.190 175.190 175.557 -0.367 18046 253 1 . 1 1 44 44 ILE CA C 44 60.500 60.500 59.664 0.836 18046 254 1 . 1 1 44 44 ILE CB C 44 39.300 39.300 39.368 -0.068 18046 255 1 . 1 1 44 44 ILE H H 44 8.359 8.359 7.851 0.508 18046 256 1 . 1 1 45 45 GLY N N 45 119.260 119.260 113.872 5.388 18046 257 1 . 1 1 45 45 GLY C C 45 176.163 176.163 174.450 1.713 18046 258 1 . 1 1 45 45 GLY CA C 45 46.600 46.600 44.653 1.947 18046 259 1 . 1 1 45 45 GLY H H 45 7.603 7.603 8.219 -0.616 18046 260 1 . 1 1 46 46 LYS N N 46 124.868 124.868 119.386 5.482 18046 261 1 . 1 1 46 46 LYS HA H 46 4.070 4.070 4.409 -0.339 18046 262 1 . 1 1 46 46 LYS C C 46 177.700 177.700 177.435 0.265 18046 263 1 . 1 1 46 46 LYS CA C 46 59.200 59.200 57.528 1.672 18046 264 1 . 1 1 46 46 LYS CB C 46 32.400 32.400 33.268 -0.868 18046 265 1 . 1 1 46 46 LYS H H 46 9.104 9.104 8.287 0.817 18046 266 1 . 1 1 47 47 GLY N N 47 106.230 106.230 107.339 -1.109 18046 267 1 . 1 1 47 47 GLY C C 47 175.326 175.326 174.067 1.259 18046 268 1 . 1 1 47 47 GLY CA C 47 44.200 44.200 45.209 -1.009 18046 269 1 . 1 1 47 47 GLY H H 47 8.954 8.954 8.073 0.880 18046 270 1 . 1 1 48 48 ALA N N 48 125.925 125.925 123.066 2.859 18046 271 1 . 1 1 48 48 ALA HA H 48 4.620 4.620 4.194 0.426 18046 272 1 . 1 1 48 48 ALA C C 48 177.829 177.829 177.547 0.282 18046 273 1 . 1 1 48 48 ALA CA C 48 52.700 52.700 52.381 0.319 18046 274 1 . 1 1 48 48 ALA CB C 48 19.900 19.900 18.795 1.105 18046 275 1 . 1 1 48 48 ALA H H 48 7.484 7.484 7.859 -0.375 18046 276 1 . 1 1 49 49 ASN N N 49 119.683 119.683 123.163 -3.480 18046 277 1 . 1 1 49 49 ASN HA H 49 5.100 5.100 4.575 0.525 18046 278 1 . 1 1 49 49 ASN C C 49 175.874 175.874 176.982 -1.108 18046 279 1 . 1 1 49 49 ASN CA C 49 51.600 51.600 53.712 -2.112 18046 280 1 . 1 1 49 49 ASN CB C 49 41.000 41.000 39.410 1.590 18046 281 1 . 1 1 49 49 ASN H H 49 8.921 8.921 8.399 0.522 18046 282 1 . 1 1 50 50 GLU N N 50 118.057 118.057 120.974 -2.917 18046 283 1 . 1 1 50 50 GLU HA H 50 4.000 4.000 4.104 -0.103 18046 284 1 . 1 1 50 50 GLU C C 50 178.722 178.722 178.361 0.361 18046 285 1 . 1 1 50 50 GLU CA C 50 59.600 59.600 59.616 -0.016 18046 286 1 . 1 1 50 50 GLU CB C 50 29.600 29.600 29.611 -0.011 18046 287 1 . 1 1 50 50 GLU H H 50 8.828 8.828 8.979 -0.151 18046 288 1 . 1 1 51 51 SER N N 51 115.397 115.397 114.903 0.494 18046 289 1 . 1 1 51 51 SER HA H 51 4.350 4.350 4.197 0.153 18046 290 1 . 1 1 51 51 SER C C 51 177.932 177.932 176.300 1.632 18046 291 1 . 1 1 51 51 SER CA C 51 61.800 61.800 61.409 0.391 18046 292 1 . 1 1 51 51 SER CB C 51 62.700 62.700 62.957 -0.257 18046 293 1 . 1 1 51 51 SER H H 51 8.401 8.401 8.363 0.038 18046 294 1 . 1 1 52 52 GLU N N 52 122.271 122.271 121.984 0.287 18046 295 1 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.104 -0.004 18046 296 1 . 1 1 52 52 GLU C C 52 177.665 177.665 178.470 -0.805 18046 297 1 . 1 1 52 52 GLU CA C 52 59.200 59.200 59.777 -0.577 18046 298 1 . 1 1 52 52 GLU CB C 52 28.400 28.400 28.967 -0.567 18046 299 1 . 1 1 52 52 GLU H H 52 8.566 8.566 8.347 0.219 18046 300 1 . 1 1 53 53 LYS N N 53 119.319 119.319 118.397 0.922 18046 301 1 . 1 1 53 53 LYS HA H 53 4.040 4.040 3.977 0.063 18046 302 1 . 1 1 53 53 LYS C C 53 178.727 178.727 178.487 0.240 18046 303 1 . 1 1 53 53 LYS CA C 53 60.900 60.900 59.230 1.670 18046 304 1 . 1 1 53 53 LYS CB C 53 32.600 32.600 32.196 0.404 18046 305 1 . 1 1 53 53 LYS H H 53 7.704 7.704 7.556 0.148 18046 306 1 . 1 1 54 54 GLU N N 54 119.268 119.268 118.906 0.362 18046 307 1 . 1 1 54 54 GLU HA H 54 4.060 4.060 4.106 -0.046 18046 308 1 . 1 1 54 54 GLU C C 54 179.211 179.211 178.315 0.896 18046 309 1 . 1 1 54 54 GLU CA C 54 59.500 59.500 59.036 0.463 18046 310 1 . 1 1 54 54 GLU CB C 54 29.900 29.900 29.685 0.215 18046 311 1 . 1 1 54 54 GLU H H 54 8.173 8.173 7.306 0.867 18046 312 1 . 1 1 55 55 ALA N N 55 121.311 121.311 121.950 -0.639 18046 313 1 . 1 1 55 55 ALA HA H 55 3.950 3.950 3.817 0.133 18046 314 1 . 1 1 55 55 ALA C C 55 180.920 180.920 179.361 1.559 18046 315 1 . 1 1 55 55 ALA CA C 55 54.500 54.500 54.696 -0.196 18046 316 1 . 1 1 55 55 ALA CB C 55 15.800 15.800 17.143 -1.343 18046 317 1 . 1 1 55 55 ALA H H 55 7.954 7.954 8.358 -0.404 18046 318 1 . 1 1 56 56 ALA N N 56 123.395 123.395 119.408 3.987 18046 319 1 . 1 1 56 56 ALA HA H 56 4.020 4.020 4.168 -0.148 18046 320 1 . 1 1 56 56 ALA C C 56 178.383 178.383 178.976 -0.593 18046 321 1 . 1 1 56 56 ALA CA C 56 55.400 55.400 54.615 0.785 18046 322 1 . 1 1 56 56 ALA CB C 56 19.600 19.600 18.347 1.253 18046 323 1 . 1 1 56 56 ALA H H 56 8.393 8.393 8.115 0.278 18046 324 1 . 1 1 57 57 ALA N N 57 120.754 120.754 120.977 -0.223 18046 325 1 . 1 1 57 57 ALA HA H 57 3.920 3.920 3.997 -0.077 18046 326 1 . 1 1 57 57 ALA C C 57 180.433 180.433 179.730 0.703 18046 327 1 . 1 1 57 57 ALA CA C 57 55.700 55.700 54.733 0.967 18046 328 1 . 1 1 57 57 ALA CB C 57 17.700 17.700 18.378 -0.678 18046 329 1 . 1 1 57 57 ALA H H 57 7.690 7.690 7.365 0.325 18046 330 1 . 1 1 58 58 GLU N N 58 118.337 118.337 118.523 -0.186 18046 331 1 . 1 1 58 58 GLU HA H 58 4.100 4.100 4.088 0.013 18046 332 1 . 1 1 58 58 GLU C C 58 179.210 179.210 179.105 0.105 18046 333 1 . 1 1 58 58 GLU CA C 58 59.200 59.200 59.342 -0.142 18046 334 1 . 1 1 58 58 GLU CB C 58 29.300 29.300 29.755 -0.455 18046 335 1 . 1 1 58 58 GLU H H 58 7.423 7.423 7.866 -0.443 18046 336 1 . 1 1 59 59 THR N N 59 118.744 118.744 115.560 3.184 18046 337 1 . 1 1 59 59 THR HA H 59 3.860 3.860 4.016 -0.156 18046 338 1 . 1 1 59 59 THR C C 59 175.722 175.722 176.011 -0.289 18046 339 1 . 1 1 59 59 THR CA C 59 67.420 67.420 66.179 1.241 18046 340 1 . 1 1 59 59 THR CB C 59 68.590 68.590 68.573 0.017 18046 341 1 . 1 1 59 59 THR H H 59 8.354 8.354 8.396 -0.042 18046 342 1 . 1 1 60 60 ALA N N 60 122.991 122.991 122.841 0.150 18046 343 1 . 1 1 60 60 ALA HA H 60 3.730 3.730 3.788 -0.058 18046 344 1 . 1 1 60 60 ALA C C 60 178.155 178.155 179.291 -1.136 18046 345 1 . 1 1 60 60 ALA CA C 60 55.700 55.700 54.886 0.814 18046 346 1 . 1 1 60 60 ALA CB C 60 17.800 17.800 18.119 -0.320 18046 347 1 . 1 1 60 60 ALA H H 60 8.294 8.294 7.447 0.847 18046 348 1 . 1 1 61 61 GLN N N 61 113.649 113.649 117.092 -3.443 18046 349 1 . 1 1 61 61 GLN HA H 61 3.990 3.990 3.937 0.053 18046 350 1 . 1 1 61 61 GLN C C 61 178.640 178.640 178.277 0.363 18046 351 1 . 1 1 61 61 GLN CA C 61 58.920 58.920 59.562 -0.642 18046 352 1 . 1 1 61 61 GLN CB C 61 28.460 28.460 28.169 0.291 18046 353 1 . 1 1 61 61 GLN H H 61 7.215 7.215 8.004 -0.789 18046 354 1 . 1 1 62 62 GLU N N 62 120.684 120.684 118.378 2.306 18046 355 1 . 1 1 62 62 GLU HA H 62 4.040 4.040 4.036 0.004 18046 356 1 . 1 1 62 62 GLU C C 62 179.047 179.047 178.655 0.392 18046 357 1 . 1 1 62 62 GLU CA C 62 59.200 59.200 59.230 -0.029 18046 358 1 . 1 1 62 62 GLU CB C 62 29.300 29.300 29.246 0.054 18046 359 1 . 1 1 62 62 GLU H H 62 8.126 8.126 7.825 0.301 18046 360 1 . 1 1 63 63 TYR N N 63 122.118 122.118 120.071 2.047 18046 361 1 . 1 1 63 63 TYR HA H 63 4.230 4.230 4.238 -0.008 18046 362 1 . 1 1 63 63 TYR C C 63 178.643 178.643 177.656 0.987 18046 363 1 . 1 1 63 63 TYR CA C 63 60.100 60.100 60.840 -0.740 18046 364 1 . 1 1 63 63 TYR CB C 63 37.800 37.800 38.814 -1.014 18046 365 1 . 1 1 63 63 TYR H H 63 8.796 8.796 7.729 1.067 18046 366 1 . 1 1 64 64 LEU N N 64 119.163 119.163 119.574 -0.411 18046 367 1 . 1 1 64 64 LEU HA H 64 3.680 3.680 3.951 -0.271 18046 368 1 . 1 1 64 64 LEU C C 64 178.475 178.475 179.370 -0.895 18046 369 1 . 1 1 64 64 LEU CA C 64 58.000 58.000 58.056 -0.057 18046 370 1 . 1 1 64 64 LEU CB C 64 42.500 42.500 40.538 1.962 18046 371 1 . 1 1 64 64 LEU H H 64 7.799 7.799 7.790 0.009 18046 372 1 . 1 1 65 65 ARG N N 65 116.868 116.868 116.847 0.021 18046 373 1 . 1 1 65 65 ARG HA H 65 4.070 4.070 4.015 0.055 18046 374 1 . 1 1 65 65 ARG C C 65 177.464 177.464 177.541 -0.077 18046 375 1 . 1 1 65 65 ARG CA C 65 58.600 58.600 58.249 0.351 18046 376 1 . 1 1 65 65 ARG CB C 65 30.800 30.800 29.847 0.953 18046 377 1 . 1 1 65 65 ARG H H 65 7.842 7.842 7.652 0.190 18046 378 1 . 1 1 66 66 SER N N 66 112.527 112.527 113.034 -0.507 18046 379 1 . 1 1 66 66 SER HA H 66 4.360 4.360 4.185 0.175 18046 380 1 . 1 1 66 66 SER C C 66 174.087 174.087 174.962 -0.875 18046 381 1 . 1 1 66 66 SER CA C 66 59.440 59.440 59.811 -0.371 18046 382 1 . 1 1 66 66 SER CB C 66 64.120 64.120 63.609 0.511 18046 383 1 . 1 1 66 66 SER H H 66 7.907 7.907 7.723 0.184 18046 384 1 . 1 1 67 67 HIS N N 67 123.090 123.090 121.987 1.103 18046 385 1 . 1 1 67 67 HIS HA H 67 4.660 4.660 4.770 -0.110 18046 386 1 . 1 1 67 67 HIS CA C 67 55.400 55.400 53.583 1.817 18046 387 1 . 1 1 67 67 HIS CB C 67 29.600 29.600 30.502 -0.902 18046 388 1 . 1 1 67 67 HIS H H 67 7.515 7.515 7.607 -0.092 18046 389 1 . 1 1 68 68 PRO C C 68 176.365 176.365 176.872 -0.507 18046 390 1 . 1 1 68 68 PRO CB C 68 38.360 38.360 32.576 5.784 18046 391 1 . 1 1 69 69 GLY N N 69 124.202 124.202 106.130 18.072 18046 392 1 . 1 1 69 69 GLY C C 69 174.331 174.331 173.878 0.453 18046 393 1 . 1 1 69 69 GLY CA C 69 45.700 45.700 44.569 1.131 18046 394 1 . 1 1 69 69 GLY H H 69 8.166 8.166 8.162 0.004 18046 395 1 . 1 1 70 70 SER N N 70 115.467 115.467 116.031 -0.564 18046 396 1 . 1 1 70 70 SER HA H 70 4.450 4.450 4.572 -0.122 18046 397 1 . 1 1 70 70 SER C C 70 174.329 174.329 175.531 -1.202 18046 398 1 . 1 1 70 70 SER CA C 70 58.640 58.640 59.028 -0.388 18046 399 1 . 1 1 70 70 SER CB C 70 63.040 63.040 64.084 -1.044 18046 400 1 . 1 1 70 70 SER H H 70 8.280 8.280 8.674 -0.394 18046 401 1 . 1 1 71 71 ARG N N 71 120.585 120.585 120.948 -0.363 18046 402 1 . 1 1 71 71 ARG HA H 71 4.230 4.230 4.525 -0.295 18046 403 1 . 1 1 71 71 ARG C C 71 175.793 175.793 175.909 -0.116 18046 404 1 . 1 1 71 71 ARG CA C 71 55.100 55.100 55.829 -0.730 18046 405 1 . 1 1 71 71 ARG CB C 71 31.400 31.400 30.338 1.062 18046 406 1 . 1 1 71 71 ARG H H 71 8.341 8.341 8.279 0.062 18046 407 1 . 1 1 72 72 ASP N N 72 120.258 120.258 118.766 1.492 18046 408 1 . 1 1 72 72 ASP HA H 72 4.440 4.440 4.523 -0.083 18046 409 1 . 1 1 72 72 ASP C C 72 178.038 178.038 176.957 1.081 18046 410 1 . 1 1 72 72 ASP CA C 72 54.530 54.530 56.610 -2.080 18046 411 1 . 1 1 72 72 ASP CB C 72 40.770 40.770 40.769 0.001 18046 412 1 . 1 1 72 72 ASP H H 72 8.471 8.471 8.415 0.056 18046 413 1 . 1 1 73 73 LEU N N 73 127.518 127.518 117.539 9.979 18046 414 1 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.210 -0.120 18046 415 1 . 1 1 73 73 LEU C C 73 177.417 177.417 177.728 -0.311 18046 416 1 . 1 1 73 73 LEU CA C 73 57.000 57.000 56.643 0.357 18046 417 1 . 1 1 73 73 LEU CB C 73 41.000 41.000 42.452 -1.452 18046 418 1 . 1 1 73 73 LEU H H 73 8.826 8.826 7.683 1.143 18046 419 1 . 1 1 74 74 ASP N N 74 117.787 117.787 117.578 0.209 18046 420 1 . 1 1 74 74 ASP HA H 74 4.740 4.740 4.483 0.257 18046 421 1 . 1 1 74 74 ASP C C 74 175.765 175.765 176.567 -0.802 18046 422 1 . 1 1 74 74 ASP CA C 74 53.900 53.900 55.987 -2.087 18046 423 1 . 1 1 74 74 ASP CB C 74 40.470 40.470 40.877 -0.407 18046 424 1 . 1 1 74 74 ASP H H 74 8.480 8.480 8.151 0.329 18046 425 1 . 1 1 75 75 THR N N 75 119.682 119.682 116.759 2.923 18046 426 1 . 1 1 75 75 THR HA H 75 4.210 4.210 4.519 -0.309 18046 427 1 . 1 1 75 75 THR CA C 75 62.440 62.440 60.631 1.809 18046 428 1 . 1 1 75 75 THR CB C 75 70.940 70.940 69.299 1.641 18046 429 1 . 1 1 75 75 THR H H 75 7.303 7.303 7.659 -0.356 18046 430 1 . 1 1 76 76 PRO HA H 76 4.240 4.240 4.391 -0.151 18046 431 1 . 1 1 76 76 PRO C C 76 174.823 174.823 175.959 -1.136 18046 432 1 . 1 1 76 76 PRO CA C 76 63.600 63.600 62.408 1.192 18046 433 1 . 1 1 76 76 PRO CB C 76 33.100 33.100 32.336 0.764 18046 434 1 . 1 1 77 77 ILE N N 77 121.906 121.906 119.807 2.099 18046 435 1 . 1 1 77 77 ILE HA H 77 4.990 4.990 3.920 1.070 18046 436 1 . 1 1 77 77 ILE C C 77 176.571 176.571 176.526 0.045 18046 437 1 . 1 1 77 77 ILE CA C 77 59.500 59.500 60.842 -1.342 18046 438 1 . 1 1 77 77 ILE CB C 77 38.100 38.100 39.099 -0.999 18046 439 1 . 1 1 77 77 ILE H H 77 8.052 8.052 7.964 0.088 18046 440 1 . 1 1 78 78 ILE N N 78 130.054 130.054 128.141 1.913 18046 441 1 . 1 1 78 78 ILE HA H 78 4.300 4.300 4.024 0.276 18046 442 1 . 1 1 78 78 ILE C C 78 175.471 175.471 175.394 0.077 18046 443 1 . 1 1 78 78 ILE CA C 78 59.800 59.800 60.740 -0.940 18046 444 1 . 1 1 78 78 ILE CB C 78 39.300 39.300 36.801 2.499 18046 445 1 . 1 1 78 78 ILE H H 78 8.977 8.977 8.265 0.712 18046 446 1 . 1 1 79 79 VAL N N 79 130.072 130.072 127.879 2.193 18046 447 1 . 1 1 79 79 VAL HA H 79 4.690 4.690 3.951 0.739 18046 448 1 . 1 1 79 79 VAL C C 79 176.024 176.024 175.899 0.125 18046 449 1 . 1 1 79 79 VAL CA C 79 63.900 63.900 63.455 0.445 18046 450 1 . 1 1 79 79 VAL CB C 79 31.700 31.700 32.048 -0.348 18046 451 1 . 1 1 79 79 VAL H H 79 8.872 8.872 7.995 0.877 18046 452 1 . 1 1 80 80 VAL N N 80 129.055 129.055 126.628 2.427 18046 453 1 . 1 1 80 80 VAL HA H 80 4.420 4.420 4.293 0.127 18046 454 1 . 1 1 80 80 VAL C C 80 173.028 173.028 174.588 -1.560 18046 455 1 . 1 1 80 80 VAL CA C 80 60.000 60.000 60.716 -0.716 18046 456 1 . 1 1 80 80 VAL CB C 80 35.400 35.400 34.213 1.187 18046 457 1 . 1 1 80 80 VAL H H 80 9.608 9.608 8.247 1.361 18046 458 1 . 1 1 81 81 LYS N N 81 123.854 123.854 123.222 0.632 18046 459 1 . 1 1 81 81 LYS HA H 81 4.170 4.170 4.681 -0.511 18046 460 1 . 1 1 81 81 LYS C C 81 175.225 175.225 175.895 -0.670 18046 461 1 . 1 1 81 81 LYS CA C 81 55.100 55.100 54.853 0.247 18046 462 1 . 1 1 81 81 LYS CB C 81 34.200 34.200 34.814 -0.614 18046 463 1 . 1 1 81 81 LYS H H 81 8.441 8.441 8.344 0.097 18046 464 1 . 1 1 82 82 GLN N N 82 121.237 121.237 120.898 0.339 18046 465 1 . 1 1 82 82 GLN HA H 82 3.960 3.960 4.103 -0.143 18046 466 1 . 1 1 82 82 GLN C C 82 177.016 177.016 176.353 0.663 18046 467 1 . 1 1 82 82 GLN CA C 82 56.500 56.500 56.786 -0.286 18046 468 1 . 1 1 82 82 GLN CB C 82 28.100 28.100 27.995 0.105 18046 469 1 . 1 1 82 82 GLN H H 82 6.493 6.493 8.676 -2.183 18046 470 1 . 1 1 83 83 GLY N N 83 118.629 118.629 113.299 5.330 18046 471 1 . 1 1 83 83 GLY C C 83 174.491 174.491 173.064 1.427 18046 472 1 . 1 1 83 83 GLY CA C 83 45.400 45.400 44.336 1.065 18046 473 1 . 1 1 83 83 GLY H H 83 10.072 10.072 8.308 1.764 18046 474 1 . 1 1 84 84 PHE N N 84 120.834 120.834 120.026 0.808 18046 475 1 . 1 1 84 84 PHE HA H 84 4.910 4.910 4.624 0.286 18046 476 1 . 1 1 84 84 PHE C C 84 177.056 177.056 174.310 2.746 18046 477 1 . 1 1 84 84 PHE CA C 84 56.500 56.500 57.268 -0.768 18046 478 1 . 1 1 84 84 PHE CB C 84 38.700 38.700 40.895 -2.195 18046 479 1 . 1 1 84 84 PHE H H 84 8.431 8.431 7.265 1.166 18046 480 1 . 1 1 85 85 GLU N N 85 125.174 125.174 125.485 -0.311 18046 481 1 . 1 1 85 85 GLU HA H 85 4.110 4.110 4.784 -0.674 18046 482 1 . 1 1 85 85 GLU CA C 85 56.880 56.880 52.598 4.283 18046 483 1 . 1 1 85 85 GLU CB C 85 28.170 28.170 31.342 -3.172 18046 484 1 . 1 1 85 85 GLU H H 85 10.207 10.207 8.534 1.673 18046 485 1 . 1 1 87 87 PRO HA H 87 4.750 4.750 4.488 0.262 18046 486 1 . 1 1 87 87 PRO C C 87 178.401 178.401 178.056 0.345 18046 487 1 . 1 1 87 87 PRO CA C 87 64.500 64.500 64.876 -0.376 18046 488 1 . 1 1 87 87 PRO CB C 87 31.400 31.400 31.965 -0.565 18046 489 1 . 1 1 88 88 THR N N 88 107.088 107.088 112.288 -5.200 18046 490 1 . 1 1 88 88 THR HA H 88 4.080 4.080 4.038 0.042 18046 491 1 . 1 1 88 88 THR C C 88 174.325 174.325 175.667 -1.342 18046 492 1 . 1 1 88 88 THR CA C 88 63.200 63.200 65.068 -1.868 18046 493 1 . 1 1 88 88 THR CB C 88 68.300 68.300 68.206 0.094 18046 494 1 . 1 1 88 88 THR H H 88 7.316 7.316 8.166 -0.850 18046 495 1 . 1 1 89 89 PHE N N 89 119.031 119.031 122.199 -3.168 18046 496 1 . 1 1 89 89 PHE HA H 89 3.920 3.920 3.944 -0.024 18046 497 1 . 1 1 89 89 PHE C C 89 175.661 175.661 177.282 -1.621 18046 498 1 . 1 1 89 89 PHE CA C 89 60.000 60.000 60.845 -0.845 18046 499 1 . 1 1 89 89 PHE CB C 89 41.060 41.060 38.770 2.291 18046 500 1 . 1 1 89 89 PHE H H 89 7.437 7.437 7.854 -0.417 18046 501 1 . 1 1 90 90 THR N N 90 107.216 107.216 116.379 -9.163 18046 502 1 . 1 1 90 90 THR HA H 90 3.210 3.210 3.251 -0.041 18046 503 1 . 1 1 90 90 THR C C 90 177.340 177.340 176.706 0.634 18046 504 1 . 1 1 90 90 THR CA C 90 65.000 65.000 67.250 -2.250 18046 505 1 . 1 1 90 90 THR CB C 90 68.200 68.200 67.789 0.411 18046 506 1 . 1 1 90 90 THR H H 90 7.675 7.675 7.928 -0.253 18046 507 1 . 1 1 91 91 GLY N N 91 106.674 106.674 109.065 -2.391 18046 508 1 . 1 1 91 91 GLY C C 91 174.591 174.591 174.651 -0.060 18046 509 1 . 1 1 91 91 GLY CA C 91 46.300 46.300 45.680 0.620 18046 510 1 . 1 1 91 91 GLY H H 91 7.865 7.865 7.392 0.473 18046 511 1 . 1 1 92 92 TRP N N 92 117.951 117.951 118.869 -0.918 18046 512 1 . 1 1 92 92 TRP HA H 92 4.490 4.490 4.287 0.203 18046 513 1 . 1 1 92 92 TRP C C 92 174.042 174.042 176.121 -2.079 18046 514 1 . 1 1 92 92 TRP CA C 92 57.470 57.470 56.966 0.504 18046 515 1 . 1 1 92 92 TRP CB C 92 29.630 29.630 29.284 0.346 18046 516 1 . 1 1 92 92 TRP H H 92 7.018 7.018 7.173 -0.155 18046 517 1 . 1 1 93 93 PHE N N 93 118.863 118.863 115.798 3.065 18046 518 1 . 1 1 93 93 PHE HA H 93 4.610 4.610 4.280 0.330 18046 519 1 . 1 1 93 93 PHE C C 93 175.872 175.872 176.801 -0.929 18046 520 1 . 1 1 93 93 PHE CA C 93 56.900 56.900 56.739 0.161 18046 521 1 . 1 1 93 93 PHE CB C 93 40.800 40.800 40.170 0.630 18046 522 1 . 1 1 93 93 PHE H H 93 7.956 7.956 7.651 0.305 18046 523 1 . 1 1 94 94 MET N N 94 121.781 121.781 118.931 2.850 18046 524 1 . 1 1 94 94 MET HA H 94 4.200 4.200 4.201 -0.001 18046 525 1 . 1 1 94 94 MET C C 94 175.794 175.794 176.098 -0.304 18046 526 1 . 1 1 94 94 MET CA C 94 57.900 57.900 56.380 1.520 18046 527 1 . 1 1 94 94 MET CB C 94 32.300 32.300 32.352 -0.052 18046 528 1 . 1 1 94 94 MET H H 94 8.825 8.825 8.586 0.239 18046 529 1 . 1 1 95 95 ALA N N 95 120.648 120.648 122.333 -1.684 18046 530 1 . 1 1 95 95 ALA HA H 95 4.440 4.440 4.415 0.025 18046 531 1 . 1 1 95 95 ALA C C 95 175.600 175.600 176.534 -0.933 18046 532 1 . 1 1 95 95 ALA CA C 95 51.800 51.800 50.976 0.824 18046 533 1 . 1 1 95 95 ALA CB C 95 20.800 20.800 18.845 1.955 18046 534 1 . 1 1 95 95 ALA H H 95 8.037 8.037 7.578 0.459 18046 535 1 . 1 1 96 96 TRP N N 96 121.009 121.009 123.668 -2.659 18046 536 1 . 1 1 96 96 TRP HA H 96 4.210 4.210 4.380 -0.170 18046 537 1 . 1 1 96 96 TRP C C 96 174.409 174.409 176.032 -1.623 18046 538 1 . 1 1 96 96 TRP CA C 96 57.800 57.800 57.685 0.115 18046 539 1 . 1 1 96 96 TRP CB C 96 30.500 30.500 29.961 0.539 18046 540 1 . 1 1 96 96 TRP H H 96 8.481 8.481 8.403 0.078 18046 541 1 . 1 1 97 97 ASP N N 97 128.963 128.963 121.212 7.751 18046 542 1 . 1 1 97 97 ASP HA H 97 5.090 5.090 5.112 -0.022 18046 543 1 . 1 1 97 97 ASP CA C 97 49.560 49.560 50.934 -1.374 18046 544 1 . 1 1 97 97 ASP CB C 97 42.530 42.530 43.038 -0.508 18046 545 1 . 1 1 97 97 ASP H H 97 8.850 8.850 8.916 -0.066 18046 546 1 . 1 1 98 98 PRO HA H 98 4.510 4.510 4.446 0.064 18046 547 1 . 1 1 98 98 PRO C C 98 177.169 177.169 177.318 -0.149 18046 548 1 . 1 1 98 98 PRO CA C 98 64.200 64.200 64.113 0.087 18046 549 1 . 1 1 98 98 PRO CB C 98 32.570 32.570 32.014 0.556 18046 550 1 . 1 1 99 99 LEU N N 99 118.381 118.381 119.340 -0.959 18046 551 1 . 1 1 99 99 LEU HA H 99 4.530 4.530 4.490 0.040 18046 552 1 . 1 1 99 99 LEU C C 99 177.338 177.338 178.118 -0.780 18046 553 1 . 1 1 99 99 LEU CA C 99 54.550 54.550 54.965 -0.415 18046 554 1 . 1 1 99 99 LEU CB C 99 40.750 40.750 41.142 -0.392 18046 555 1 . 1 1 99 99 LEU H H 99 8.372 8.372 7.722 0.650 18046 556 1 . 1 1 100 100 CYS N N 100 119.396 119.396 119.113 0.283 18046 557 1 . 1 1 100 100 CYS HA H 100 3.610 3.610 4.275 -0.665 18046 558 1 . 1 1 100 100 CYS C C 100 174.820 174.820 175.783 -0.963 18046 559 1 . 1 1 100 100 CYS CA C 100 61.500 61.500 61.833 -0.333 18046 560 1 . 1 1 100 100 CYS CB C 100 27.300 27.300 26.605 0.695 18046 561 1 . 1 1 100 100 CYS H H 100 7.052 7.052 7.911 -0.859 18046 562 1 . 1 1 101 101 TRP N N 101 115.737 115.737 121.064 -5.327 18046 563 1 . 1 1 101 101 TRP HA H 101 4.780 4.780 4.630 0.150 18046 564 1 . 1 1 101 101 TRP C C 101 176.485 176.485 176.134 0.351 18046 565 1 . 1 1 101 101 TRP CA C 101 58.900 58.900 57.353 1.547 18046 566 1 . 1 1 101 101 TRP CB C 101 28.100 28.100 28.602 -0.502 18046 567 1 . 1 1 101 101 TRP H H 101 7.625 7.625 7.883 -0.258 18046 568 1 . 1 1 102 102 SER N N 102 115.896 115.896 115.482 0.414 18046 569 1 . 1 1 102 102 SER HA H 102 4.520 4.520 4.266 0.255 18046 570 1 . 1 1 102 102 SER C C 102 174.333 174.333 175.465 -1.132 18046 571 1 . 1 1 102 102 SER CA C 102 59.200 59.200 60.878 -1.678 18046 572 1 . 1 1 102 102 SER CB C 102 64.100 64.100 63.006 1.094 18046 573 1 . 1 1 102 102 SER H H 102 7.916 7.916 7.791 0.125 18046 574 1 . 1 1 103 103 ASP N N 103 122.262 122.262 120.566 1.696 18046 575 1 . 1 1 103 103 ASP HA H 103 4.660 4.660 4.745 -0.085 18046 576 1 . 1 1 103 103 ASP C C 103 176.129 176.129 178.183 -2.054 18046 577 1 . 1 1 103 103 ASP CA C 103 54.700 54.700 55.774 -1.074 18046 578 1 . 1 1 103 103 ASP CB C 103 41.000 41.000 41.268 -0.268 18046 579 1 . 1 1 103 103 ASP H H 103 8.450 8.450 7.887 0.563 18046 580 1 . 1 1 104 104 ARG N N 104 120.795 120.795 119.541 1.254 18046 581 1 . 1 1 104 104 ARG HA H 104 4.330 4.330 3.961 0.369 18046 582 1 . 1 1 104 104 ARG C C 104 176.283 176.283 177.764 -1.482 18046 583 1 . 1 1 104 104 ARG CA C 104 56.200 56.200 58.300 -2.100 18046 584 1 . 1 1 104 104 ARG CB C 104 30.750 30.750 29.631 1.119 18046 585 1 . 1 1 104 104 ARG H H 104 8.117 8.117 7.961 0.156 18046 586 1 . 1 1 105 105 LYS N N 105 122.131 122.131 117.022 5.109 18046 587 1 . 1 1 105 105 LYS HA H 105 4.345 4.345 4.336 0.009 18046 588 1 . 1 1 105 105 LYS C C 105 176.284 176.284 176.584 -0.300 18046 589 1 . 1 1 105 105 LYS CA C 105 56.300 56.300 56.683 -0.383 18046 590 1 . 1 1 105 105 LYS CB C 105 33.100 33.100 32.827 0.273 18046 591 1 . 1 1 105 105 LYS H H 105 8.294 8.294 7.824 0.470 18046 592 1 . 1 1 106 106 SER N N 106 116.993 116.993 114.831 2.162 18046 593 1 . 1 1 106 106 SER HA H 106 4.470 4.470 4.550 -0.080 18046 594 1 . 1 1 106 106 SER CA C 106 58.300 58.300 57.750 0.550 18046 595 1 . 1 1 106 106 SER CB C 106 64.200 64.200 64.629 -0.429 18046 596 1 . 1 1 106 106 SER H H 106 8.235 8.235 7.669 0.566 18046 stop_ save_