data_19657 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19657 _Entry.PDB_ID 2MHV 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 19657 _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 LYS N N 2 119.803 119.803 119.555 0.248 19657 2 1 1 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.810 0.439 19657 3 1 1 . 1 1 2 2 LYS C C 2 172.912 172.912 175.272 -2.360 19657 4 1 1 . 1 1 2 2 LYS CA C 2 52.189 52.189 54.983 -2.793 19657 5 1 1 . 1 1 2 2 LYS CB C 2 31.708 31.708 32.898 -1.190 19657 6 1 1 . 1 1 2 2 LYS H H 2 8.180 8.180 7.512 0.668 19657 7 1 1 . 1 1 3 3 TYR N N 3 122.744 122.744 125.003 -2.259 19657 8 1 1 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.764 0.032 19657 9 1 1 . 1 1 3 3 TYR C C 3 172.523 172.523 175.148 -2.625 19657 10 1 1 . 1 1 3 3 TYR CA C 3 53.741 53.741 57.134 -3.393 19657 11 1 1 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.625 -0.935 19657 12 1 1 . 1 1 3 3 TYR H H 3 8.951 8.951 8.078 0.873 19657 13 1 1 . 1 1 4 4 THR N N 4 117.010 117.010 118.945 -1.935 19657 14 1 1 . 1 1 4 4 THR HA H 4 5.012 5.012 4.675 0.337 19657 15 1 1 . 1 1 4 4 THR C C 4 171.489 171.489 173.980 -2.491 19657 16 1 1 . 1 1 4 4 THR CA C 4 58.808 58.808 60.535 -1.727 19657 17 1 1 . 1 1 4 4 THR CB C 4 67.837 67.837 70.059 -2.222 19657 18 1 1 . 1 1 4 4 THR H H 4 8.870 8.870 8.683 0.187 19657 19 1 1 . 1 1 5 5 GLY N N 5 115.340 115.340 114.785 0.555 19657 20 1 1 . 1 1 5 5 GLY C C 5 171.505 171.505 172.116 -0.611 19657 21 1 1 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.730 -2.663 19657 22 1 1 . 1 1 5 5 GLY H H 5 9.116 9.116 8.058 1.058 19657 23 1 1 . 1 1 6 6 LYS N N 6 121.120 121.120 119.602 1.518 19657 24 1 1 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.281 0.108 19657 25 1 1 . 1 1 6 6 LYS C C 6 174.162 174.162 175.765 -1.603 19657 26 1 1 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.810 -3.166 19657 27 1 1 . 1 1 6 6 LYS CB C 6 34.997 34.997 35.912 -0.915 19657 28 1 1 . 1 1 6 6 LYS H H 6 8.408 8.408 8.289 0.119 19657 29 1 1 . 1 1 7 7 CYS N N 7 122.530 122.530 119.333 3.197 19657 30 1 1 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.660 0.672 19657 31 1 1 . 1 1 7 7 CYS C C 7 169.635 169.635 173.694 -4.059 19657 32 1 1 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.710 -5.300 19657 33 1 1 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.498 11.147 19657 34 1 1 . 1 1 7 7 CYS H H 7 9.795 9.795 8.704 1.091 19657 35 1 1 . 1 1 8 8 THR N N 8 112.909 112.909 113.684 -0.775 19657 36 1 1 . 1 1 8 8 THR HA H 8 4.690 4.690 4.845 -0.155 19657 37 1 1 . 1 1 8 8 THR C C 8 172.048 172.048 175.271 -3.223 19657 38 1 1 . 1 1 8 8 THR CA C 8 57.291 57.291 60.502 -3.211 19657 39 1 1 . 1 1 8 8 THR CB C 8 68.608 68.608 72.002 -3.394 19657 40 1 1 . 1 1 8 8 THR H H 8 8.630 8.630 8.064 0.566 19657 41 1 1 . 1 1 9 9 LYS N N 9 127.151 127.151 122.305 4.846 19657 42 1 1 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.333 -0.775 19657 43 1 1 . 1 1 9 9 LYS C C 9 176.697 176.697 176.923 -0.226 19657 44 1 1 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.319 -1.123 19657 45 1 1 . 1 1 9 9 LYS CB C 9 31.079 31.079 31.771 -0.692 19657 46 1 1 . 1 1 9 9 LYS H H 9 8.916 8.916 8.589 0.327 19657 47 1 1 . 1 1 10 10 SER N N 10 116.323 116.323 115.642 0.681 19657 48 1 1 . 1 1 10 10 SER C C 10 176.174 176.174 175.367 0.807 19657 49 1 1 . 1 1 10 10 SER CA C 10 59.045 59.045 60.608 -1.563 19657 50 1 1 . 1 1 10 10 SER H H 10 9.391 9.391 8.318 1.073 19657 51 1 1 . 1 1 11 11 LYS N N 11 116.908 116.908 119.466 -2.558 19657 52 1 1 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.388 -0.237 19657 53 1 1 . 1 1 11 11 LYS C C 11 173.027 173.027 176.285 -3.258 19657 54 1 1 . 1 1 11 11 LYS CA C 11 53.362 53.362 56.150 -2.788 19657 55 1 1 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.518 -1.968 19657 56 1 1 . 1 1 11 11 LYS H H 11 7.079 7.079 8.204 -1.125 19657 57 1 1 . 1 1 12 12 ASN N N 12 120.313 120.313 117.098 3.215 19657 58 1 1 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.506 0.079 19657 59 1 1 . 1 1 12 12 ASN C C 12 171.411 171.411 173.282 -1.871 19657 60 1 1 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.126 -3.252 19657 61 1 1 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.641 -3.158 19657 62 1 1 . 1 1 12 12 ASN H H 12 7.589 7.589 8.057 -0.468 19657 63 1 1 . 1 1 13 13 GLU N N 13 114.653 114.653 116.986 -2.333 19657 64 1 1 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.809 0.065 19657 65 1 1 . 1 1 13 13 GLU C C 13 170.929 170.929 174.508 -3.579 19657 66 1 1 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.728 -2.699 19657 67 1 1 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.334 0.439 19657 68 1 1 . 1 1 13 13 GLU H H 13 7.237 7.237 7.854 -0.617 19657 69 1 1 . 1 1 14 14 CYS N N 14 123.273 123.273 124.249 -0.976 19657 70 1 1 . 1 1 14 14 CYS HA H 14 4.632 4.632 4.950 -0.318 19657 71 1 1 . 1 1 14 14 CYS C C 14 168.900 168.900 173.394 -4.494 19657 72 1 1 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.139 -6.024 19657 73 1 1 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.591 8.951 19657 74 1 1 . 1 1 14 14 CYS H H 14 9.637 9.637 9.135 0.502 19657 75 1 1 . 1 1 15 15 LYS N N 15 111.712 111.712 124.440 -12.728 19657 76 1 1 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.403 -0.475 19657 77 1 1 . 1 1 15 15 LYS C C 15 172.655 172.655 174.598 -1.943 19657 78 1 1 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.468 -4.032 19657 79 1 1 . 1 1 15 15 LYS CB C 15 31.472 31.472 35.594 -4.122 19657 80 1 1 . 1 1 15 15 LYS H H 15 8.620 8.620 8.560 0.060 19657 81 1 1 . 1 1 16 16 TYR N N 16 126.641 126.641 123.043 3.598 19657 82 1 1 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.039 -0.134 19657 83 1 1 . 1 1 16 16 TYR C C 16 168.924 168.924 173.132 -4.208 19657 84 1 1 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.387 -3.294 19657 85 1 1 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.718 -3.239 19657 86 1 1 . 1 1 16 16 TYR H H 16 8.993 8.993 9.293 -0.300 19657 87 1 1 . 1 1 17 17 LYS N N 17 120.730 120.730 121.356 -0.626 19657 88 1 1 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.844 -0.430 19657 89 1 1 . 1 1 17 17 LYS C C 17 173.386 173.386 175.647 -2.261 19657 90 1 1 . 1 1 17 17 LYS CA C 17 51.694 51.694 54.886 -3.192 19657 91 1 1 . 1 1 17 17 LYS CB C 17 30.894 30.894 34.374 -3.480 19657 92 1 1 . 1 1 17 17 LYS H H 17 8.414 8.414 8.633 -0.219 19657 93 1 1 . 1 1 18 18 ASN N N 18 122.104 122.104 121.308 0.796 19657 94 1 1 . 1 1 18 18 ASN HA H 18 4.096 4.096 3.939 0.157 19657 95 1 1 . 1 1 18 18 ASN C C 18 173.990 173.990 176.109 -2.119 19657 96 1 1 . 1 1 18 18 ASN CA C 18 48.158 48.158 51.726 -3.568 19657 97 1 1 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.457 -4.314 19657 98 1 1 . 1 1 18 18 ASN H H 18 7.729 7.729 7.656 0.073 19657 99 1 1 . 1 1 19 19 ASP N N 19 117.316 117.316 120.536 -3.220 19657 100 1 1 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.556 -0.183 19657 101 1 1 . 1 1 19 19 ASP C C 19 173.929 173.929 176.892 -2.963 19657 102 1 1 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.484 -2.219 19657 103 1 1 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.531 -3.172 19657 104 1 1 . 1 1 19 19 ASP H H 19 8.231 8.231 8.685 -0.454 19657 105 1 1 . 1 1 20 20 ALA N N 20 120.814 120.814 120.827 -0.013 19657 106 1 1 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.302 0.093 19657 107 1 1 . 1 1 20 20 ALA C C 20 174.854 174.854 178.215 -3.361 19657 108 1 1 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.446 -3.681 19657 109 1 1 . 1 1 20 20 ALA CB C 20 16.013 16.013 18.999 -2.986 19657 110 1 1 . 1 1 20 20 ALA H H 20 7.413 7.413 7.971 -0.558 19657 111 1 1 . 1 1 21 21 GLY N N 21 126.585 126.585 105.715 20.870 19657 112 1 1 . 1 1 21 21 GLY C C 21 171.015 171.015 173.669 -2.654 19657 113 1 1 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.276 -2.449 19657 114 1 1 . 1 1 21 21 GLY H H 21 8.162 8.162 7.872 0.290 19657 115 1 1 . 1 1 22 22 LYS N N 22 120.322 120.322 120.434 -0.112 19657 116 1 1 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.400 -0.083 19657 117 1 1 . 1 1 22 22 LYS C C 22 174.076 174.076 175.101 -1.025 19657 118 1 1 . 1 1 22 22 LYS CA C 22 51.436 51.436 54.873 -3.437 19657 119 1 1 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.734 -3.158 19657 120 1 1 . 1 1 22 22 LYS H H 22 7.676 7.676 7.778 -0.102 19657 121 1 1 . 1 1 23 23 ASP N N 23 126.455 126.455 120.909 5.546 19657 122 1 1 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.564 -0.302 19657 123 1 1 . 1 1 23 23 ASP C C 23 172.391 172.391 175.618 -3.227 19657 124 1 1 . 1 1 23 23 ASP CA C 23 52.973 52.973 53.343 -0.370 19657 125 1 1 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.040 -2.917 19657 126 1 1 . 1 1 23 23 ASP H H 23 8.619 8.619 8.401 0.218 19657 127 1 1 . 1 1 24 24 THR N N 24 122.762 122.762 119.331 3.431 19657 128 1 1 . 1 1 24 24 THR HA H 24 4.009 4.009 4.397 -0.388 19657 129 1 1 . 1 1 24 24 THR C C 24 167.562 167.562 172.812 -5.250 19657 130 1 1 . 1 1 24 24 THR CA C 24 59.223 59.223 61.586 -2.363 19657 131 1 1 . 1 1 24 24 THR CB C 24 67.985 67.985 70.374 -2.389 19657 132 1 1 . 1 1 24 24 THR H H 24 8.773 8.773 8.630 0.143 19657 133 1 1 . 1 1 25 25 PHE N N 25 122.224 122.224 124.293 -2.069 19657 134 1 1 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.512 -0.130 19657 135 1 1 . 1 1 25 25 PHE C C 25 172.781 172.781 174.180 -1.399 19657 136 1 1 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.399 -1.802 19657 137 1 1 . 1 1 25 25 PHE CB C 25 39.245 39.245 40.857 -1.612 19657 138 1 1 . 1 1 25 25 PHE H H 25 8.314 8.314 7.662 0.652 19657 139 1 1 . 1 1 26 26 ILE N N 26 123.050 123.050 124.453 -1.403 19657 140 1 1 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.595 0.021 19657 141 1 1 . 1 1 26 26 ILE C C 26 170.373 170.373 174.219 -3.846 19657 142 1 1 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.334 -2.490 19657 143 1 1 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.849 -3.374 19657 144 1 1 . 1 1 26 26 ILE H H 26 9.093 9.093 9.043 0.050 19657 145 1 1 . 1 1 27 27 LYS N N 27 126.928 126.928 125.110 1.818 19657 146 1 1 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.249 -0.058 19657 147 1 1 . 1 1 27 27 LYS C C 27 174.551 174.551 175.928 -1.377 19657 148 1 1 . 1 1 27 27 LYS CA C 27 55.166 55.166 57.441 -2.275 19657 149 1 1 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.585 -3.005 19657 150 1 1 . 1 1 27 27 LYS H H 27 8.309 8.309 8.303 0.006 19657 151 1 1 . 1 1 28 28 CYS N N 28 119.357 119.357 121.904 -2.547 19657 152 1 1 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.970 -0.398 19657 153 1 1 . 1 1 28 28 CYS C C 28 169.287 169.287 172.932 -3.645 19657 154 1 1 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.150 -4.609 19657 155 1 1 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.764 9.823 19657 156 1 1 . 1 1 28 28 CYS H H 28 8.414 8.414 8.600 -0.186 19657 157 1 1 . 1 1 30 30 LYS N N 30 116.481 116.481 120.539 -4.058 19657 158 1 1 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.336 -0.380 19657 159 1 1 . 1 1 30 30 LYS C C 30 173.819 173.819 176.095 -2.276 19657 160 1 1 . 1 1 30 30 LYS CA C 30 53.497 53.497 55.995 -2.498 19657 161 1 1 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.319 -2.229 19657 162 1 1 . 1 1 30 30 LYS H H 30 8.004 8.004 8.437 -0.433 19657 163 1 1 . 1 1 31 31 PHE N N 31 116.963 116.963 118.726 -1.763 19657 164 1 1 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.496 -0.019 19657 165 1 1 . 1 1 31 31 PHE C C 31 173.518 173.518 177.409 -3.891 19657 166 1 1 . 1 1 31 31 PHE CA C 31 54.044 54.044 58.556 -4.512 19657 167 1 1 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.412 -2.769 19657 168 1 1 . 1 1 31 31 PHE H H 31 6.424 6.424 7.804 -1.380 19657 169 1 1 . 1 1 32 32 ASP N N 32 121.612 121.612 122.818 -1.206 19657 170 1 1 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.411 -0.275 19657 171 1 1 . 1 1 32 32 ASP C C 32 173.688 173.688 177.215 -3.527 19657 172 1 1 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.818 -2.025 19657 173 1 1 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.955 -3.063 19657 174 1 1 . 1 1 32 32 ASP H H 32 8.800 8.800 8.899 -0.099 19657 175 1 1 . 1 1 33 33 ASN N N 33 113.168 113.168 116.568 -3.400 19657 176 1 1 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.633 -0.070 19657 177 1 1 . 1 1 33 33 ASN C C 33 172.656 172.656 175.166 -2.510 19657 178 1 1 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.111 -2.749 19657 179 1 1 . 1 1 33 33 ASN CB C 33 34.754 34.754 38.937 -4.183 19657 180 1 1 . 1 1 33 33 ASN H H 33 8.455 8.455 8.370 0.085 19657 181 1 1 . 1 1 34 34 LYS N N 34 117.622 117.622 118.580 -0.958 19657 182 1 1 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.566 0.298 19657 183 1 1 . 1 1 34 34 LYS C C 34 171.666 171.666 173.832 -2.166 19657 184 1 1 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.237 -4.089 19657 185 1 1 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.397 -2.583 19657 186 1 1 . 1 1 34 34 LYS H H 34 7.676 7.676 7.790 -0.114 19657 187 1 1 . 1 1 35 35 LYS N N 35 116.880 116.880 118.514 -1.634 19657 188 1 1 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.725 -0.226 19657 189 1 1 . 1 1 35 35 LYS C C 35 172.133 172.133 174.555 -2.422 19657 190 1 1 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.983 -2.828 19657 191 1 1 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.295 -4.520 19657 192 1 1 . 1 1 35 35 LYS H H 35 6.927 6.927 7.908 -0.981 19657 193 1 1 . 1 1 36 36 CYS N N 36 117.678 117.678 120.209 -2.531 19657 194 1 1 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.827 -0.140 19657 195 1 1 . 1 1 36 36 CYS C C 36 174.909 174.909 176.570 -1.661 19657 196 1 1 . 1 1 36 36 CYS CA C 36 53.356 53.356 59.220 -5.864 19657 197 1 1 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.543 12.160 19657 198 1 1 . 1 1 36 36 CYS H H 36 8.572 8.572 8.664 -0.092 19657 199 1 1 . 1 1 37 37 THR N N 37 121.872 121.872 116.850 5.022 19657 200 1 1 . 1 1 37 37 THR HA H 37 4.219 4.219 4.351 -0.132 19657 201 1 1 . 1 1 37 37 THR C C 37 172.565 172.565 174.203 -1.638 19657 202 1 1 . 1 1 37 37 THR CA C 37 60.478 60.478 63.295 -2.817 19657 203 1 1 . 1 1 37 37 THR CB C 37 68.235 68.235 69.404 -1.169 19657 204 1 1 . 1 1 37 37 THR H H 37 10.105 10.105 8.764 1.341 19657 205 1 1 . 1 1 38 38 LYS N N 38 122.020 122.020 120.334 1.686 19657 206 1 1 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.588 -0.433 19657 207 1 1 . 1 1 38 38 LYS C C 38 170.713 170.713 174.582 -3.869 19657 208 1 1 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.538 -0.673 19657 209 1 1 . 1 1 38 38 LYS CB C 38 32.499 32.499 36.130 -3.631 19657 210 1 1 . 1 1 38 38 LYS H H 38 7.258 7.258 7.432 -0.174 19657 211 1 1 . 1 1 39 39 ASP N N 39 124.776 124.776 120.071 4.705 19657 212 1 1 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.645 -0.068 19657 213 1 1 . 1 1 39 39 ASP C C 39 175.068 175.068 176.408 -1.340 19657 214 1 1 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.333 -0.300 19657 215 1 1 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.267 -3.813 19657 216 1 1 . 1 1 39 39 ASP H H 39 8.783 8.783 8.303 0.480 19657 217 1 1 . 1 1 40 40 ASN N N 40 114.764 114.764 116.526 -1.762 19657 218 1 1 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.341 -0.079 19657 219 1 1 . 1 1 40 40 ASN C C 40 171.530 171.530 174.871 -3.341 19657 220 1 1 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.449 -1.474 19657 221 1 1 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.365 -4.185 19657 222 1 1 . 1 1 40 40 ASN H H 40 9.467 9.467 8.608 0.859 19657 223 1 1 . 1 1 41 41 ASN N N 41 120.183 120.183 116.772 3.411 19657 224 1 1 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.609 0.066 19657 225 1 1 . 1 1 41 41 ASN C C 41 171.964 171.964 174.695 -2.731 19657 226 1 1 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.625 -5.257 19657 227 1 1 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.404 -3.006 19657 228 1 1 . 1 1 41 41 ASN H H 41 7.729 7.729 8.286 -0.557 19657 229 1 1 . 1 1 42 42 LYS N N 42 119.700 119.700 117.779 1.921 19657 230 1 1 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.122 -0.767 19657 231 1 1 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.139 -0.589 19657 232 1 1 . 1 1 42 42 LYS CB C 42 30.627 30.627 35.903 -5.276 19657 233 1 1 . 1 1 42 42 LYS H H 42 8.496 8.496 8.638 -0.142 19657 234 1 1 . 1 1 43 43 CYS N N 43 113.920 113.920 119.674 -5.754 19657 235 1 1 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.587 -0.243 19657 236 1 1 . 1 1 43 43 CYS C C 43 169.725 169.725 173.165 -3.440 19657 237 1 1 . 1 1 43 43 CYS CA C 43 50.891 50.891 55.900 -5.009 19657 238 1 1 . 1 1 43 43 CYS H H 43 7.542 7.542 9.342 -1.800 19657 239 1 1 . 1 1 44 44 THR N N 44 113.141 113.141 114.052 -0.911 19657 240 1 1 . 1 1 44 44 THR HA H 44 5.229 5.229 5.174 0.055 19657 241 1 1 . 1 1 44 44 THR C C 44 169.993 169.993 173.408 -3.415 19657 242 1 1 . 1 1 44 44 THR CA C 44 57.308 57.308 60.620 -3.312 19657 243 1 1 . 1 1 44 44 THR CB C 44 69.607 69.607 71.599 -1.992 19657 244 1 1 . 1 1 44 44 THR H H 44 8.987 8.987 8.802 0.185 19657 245 1 1 . 1 1 45 45 VAL N N 45 121.909 121.909 122.164 -0.255 19657 246 1 1 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.759 -0.272 19657 247 1 1 . 1 1 45 45 VAL C C 45 171.182 171.182 173.772 -2.590 19657 248 1 1 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.325 -3.256 19657 249 1 1 . 1 1 45 45 VAL CB C 45 33.384 33.384 34.923 -1.539 19657 250 1 1 . 1 1 45 45 VAL H H 45 8.571 8.571 7.990 0.581 19657 251 1 1 . 1 1 46 46 ASP N N 46 126.446 126.446 125.832 0.614 19657 252 1 1 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.438 -0.111 19657 253 1 1 . 1 1 46 46 ASP C C 46 175.630 175.630 176.552 -0.922 19657 254 1 1 . 1 1 46 46 ASP CA C 46 49.255 49.255 53.044 -3.788 19657 255 1 1 . 1 1 46 46 ASP CB C 46 40.051 40.051 45.072 -5.021 19657 256 1 1 . 1 1 46 46 ASP H H 46 8.566 8.566 8.650 -0.084 19657 257 1 1 . 1 1 47 47 THR N N 47 114.273 114.273 119.400 -5.127 19657 258 1 1 . 1 1 47 47 THR HA H 47 4.185 4.185 4.359 -0.174 19657 259 1 1 . 1 1 47 47 THR C C 47 173.322 173.322 175.230 -1.908 19657 260 1 1 . 1 1 47 47 THR CA C 47 60.559 60.559 64.288 -3.729 19657 261 1 1 . 1 1 47 47 THR CB C 47 66.582 66.582 69.123 -2.541 19657 262 1 1 . 1 1 47 47 THR H H 47 9.087 9.087 8.991 0.096 19657 263 1 1 . 1 1 48 48 TYR N N 48 123.848 123.848 121.613 2.235 19657 264 1 1 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.322 0.071 19657 265 1 1 . 1 1 48 48 TYR C C 48 173.776 173.776 176.328 -2.552 19657 266 1 1 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.989 -3.370 19657 267 1 1 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.898 -3.081 19657 268 1 1 . 1 1 48 48 TYR H H 48 8.818 8.818 8.311 0.507 19657 269 1 1 . 1 1 49 49 ASN N N 49 113.642 113.642 114.244 -0.602 19657 270 1 1 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.687 -0.222 19657 271 1 1 . 1 1 49 49 ASN C C 49 172.356 172.356 174.681 -2.325 19657 272 1 1 . 1 1 49 49 ASN CA C 49 49.231 49.231 52.797 -3.566 19657 273 1 1 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.416 -3.932 19657 274 1 1 . 1 1 49 49 ASN H H 49 7.460 7.460 8.211 -0.751 19657 275 1 1 . 1 1 50 50 ASN N N 50 117.167 117.167 117.212 -0.045 19657 276 1 1 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.421 -0.231 19657 277 1 1 . 1 1 50 50 ASN C C 50 170.581 170.581 173.384 -2.803 19657 278 1 1 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.222 -2.559 19657 279 1 1 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.366 -3.164 19657 280 1 1 . 1 1 50 50 ASN H H 50 7.886 7.886 7.821 0.065 19657 281 1 1 . 1 1 51 51 ALA N N 51 121.083 121.083 120.735 0.348 19657 282 1 1 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.617 -0.185 19657 283 1 1 . 1 1 51 51 ALA C C 51 174.002 174.002 175.605 -1.603 19657 284 1 1 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.543 -1.940 19657 285 1 1 . 1 1 51 51 ALA CB C 51 17.688 17.688 21.495 -3.807 19657 286 1 1 . 1 1 51 51 ALA H H 51 7.843 7.843 7.449 0.394 19657 287 1 1 . 1 1 52 52 VAL N N 52 125.592 125.592 121.861 3.731 19657 288 1 1 . 1 1 52 52 VAL HA H 52 4.899 4.899 4.971 -0.072 19657 289 1 1 . 1 1 52 52 VAL C C 52 171.449 171.449 174.546 -3.097 19657 290 1 1 . 1 1 52 52 VAL CA C 52 57.894 57.894 61.029 -3.135 19657 291 1 1 . 1 1 52 52 VAL CB C 52 32.369 32.369 35.784 -3.415 19657 292 1 1 . 1 1 52 52 VAL H H 52 8.241 8.241 8.281 -0.040 19657 293 1 1 . 1 1 53 53 ASP N N 53 125.731 125.731 125.135 0.596 19657 294 1 1 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.953 -0.030 19657 295 1 1 . 1 1 53 53 ASP C C 53 172.314 172.314 174.131 -1.817 19657 296 1 1 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.596 -3.265 19657 297 1 1 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.256 -3.494 19657 298 1 1 . 1 1 53 53 ASP H H 53 8.613 8.613 8.520 0.093 19657 299 1 1 . 1 1 54 54 CYS N N 54 122.864 122.864 122.664 0.200 19657 300 1 1 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.605 0.029 19657 301 1 1 . 1 1 54 54 CYS C C 54 167.690 167.690 174.733 -7.043 19657 302 1 1 . 1 1 54 54 CYS CA C 54 51.047 51.047 58.035 -6.988 19657 303 1 1 . 1 1 54 54 CYS CB C 54 41.549 41.549 29.828 11.721 19657 304 1 1 . 1 1 54 54 CYS H H 54 8.627 8.627 8.812 -0.185 19657 305 1 2 . 1 1 2 2 LYS N N 2 119.803 119.803 118.514 1.289 19657 306 1 2 . 1 1 2 2 LYS HA H 2 5.249 5.249 5.565 -0.316 19657 307 1 2 . 1 1 2 2 LYS C C 2 172.912 172.912 175.134 -2.222 19657 308 1 2 . 1 1 2 2 LYS CA C 2 52.189 52.189 54.645 -2.456 19657 309 1 2 . 1 1 2 2 LYS CB C 2 31.708 31.708 35.133 -3.425 19657 310 1 2 . 1 1 2 2 LYS H H 2 8.180 8.180 7.423 0.757 19657 311 1 2 . 1 1 3 3 TYR N N 3 122.744 122.744 119.543 3.201 19657 312 1 2 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.696 0.100 19657 313 1 2 . 1 1 3 3 TYR C C 3 172.523 172.523 174.978 -2.455 19657 314 1 2 . 1 1 3 3 TYR CA C 3 53.741 53.741 57.498 -3.757 19657 315 1 2 . 1 1 3 3 TYR CB C 3 39.690 39.690 41.723 -2.033 19657 316 1 2 . 1 1 3 3 TYR H H 3 8.951 8.951 8.554 0.397 19657 317 1 2 . 1 1 4 4 THR N N 4 117.010 117.010 119.350 -2.340 19657 318 1 2 . 1 1 4 4 THR HA H 4 5.012 5.012 4.684 0.328 19657 319 1 2 . 1 1 4 4 THR C C 4 171.489 171.489 174.261 -2.772 19657 320 1 2 . 1 1 4 4 THR CA C 4 58.808 58.808 61.435 -2.627 19657 321 1 2 . 1 1 4 4 THR CB C 4 67.837 67.837 69.582 -1.745 19657 322 1 2 . 1 1 4 4 THR H H 4 8.870 8.870 8.553 0.317 19657 323 1 2 . 1 1 5 5 GLY N N 5 115.340 115.340 112.052 3.288 19657 324 1 2 . 1 1 5 5 GLY C C 5 171.505 171.505 171.965 -0.460 19657 325 1 2 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.628 -2.562 19657 326 1 2 . 1 1 5 5 GLY H H 5 9.116 9.116 7.975 1.141 19657 327 1 2 . 1 1 6 6 LYS N N 6 121.120 121.120 119.320 1.800 19657 328 1 2 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.251 0.138 19657 329 1 2 . 1 1 6 6 LYS C C 6 174.162 174.162 175.701 -1.539 19657 330 1 2 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.790 -3.146 19657 331 1 2 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.086 -1.089 19657 332 1 2 . 1 1 6 6 LYS H H 6 8.408 8.408 8.032 0.376 19657 333 1 2 . 1 1 7 7 CYS N N 7 122.530 122.530 118.814 3.716 19657 334 1 2 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.625 0.707 19657 335 1 2 . 1 1 7 7 CYS C C 7 169.635 169.635 173.861 -4.226 19657 336 1 2 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.674 -5.264 19657 337 1 2 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.460 11.185 19657 338 1 2 . 1 1 7 7 CYS H H 7 9.795 9.795 8.664 1.131 19657 339 1 2 . 1 1 8 8 THR N N 8 112.909 112.909 114.472 -1.563 19657 340 1 2 . 1 1 8 8 THR HA H 8 4.690 4.690 4.781 -0.091 19657 341 1 2 . 1 1 8 8 THR C C 8 172.048 172.048 175.381 -3.333 19657 342 1 2 . 1 1 8 8 THR CA C 8 57.291 57.291 60.173 -2.882 19657 343 1 2 . 1 1 8 8 THR CB C 8 68.608 68.608 71.625 -3.017 19657 344 1 2 . 1 1 8 8 THR H H 8 8.630 8.630 8.094 0.536 19657 345 1 2 . 1 1 9 9 LYS N N 9 127.151 127.151 122.369 4.782 19657 346 1 2 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.153 -0.595 19657 347 1 2 . 1 1 9 9 LYS C C 9 176.697 176.697 176.682 0.015 19657 348 1 2 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.334 -1.138 19657 349 1 2 . 1 1 9 9 LYS CB C 9 31.079 31.079 31.827 -0.748 19657 350 1 2 . 1 1 9 9 LYS H H 9 8.916 8.916 8.575 0.341 19657 351 1 2 . 1 1 10 10 SER N N 10 116.323 116.323 115.196 1.127 19657 352 1 2 . 1 1 10 10 SER C C 10 176.174 176.174 175.302 0.872 19657 353 1 2 . 1 1 10 10 SER CA C 10 59.045 59.045 60.461 -1.416 19657 354 1 2 . 1 1 10 10 SER H H 10 9.391 9.391 8.172 1.219 19657 355 1 2 . 1 1 11 11 LYS N N 11 116.908 116.908 120.683 -3.775 19657 356 1 2 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.397 -0.246 19657 357 1 2 . 1 1 11 11 LYS C C 11 173.027 173.027 176.022 -2.995 19657 358 1 2 . 1 1 11 11 LYS CA C 11 53.362 53.362 55.840 -2.478 19657 359 1 2 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.487 -1.937 19657 360 1 2 . 1 1 11 11 LYS H H 11 7.079 7.079 7.857 -0.778 19657 361 1 2 . 1 1 12 12 ASN N N 12 120.313 120.313 116.810 3.503 19657 362 1 2 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.444 0.141 19657 363 1 2 . 1 1 12 12 ASN C C 12 171.411 171.411 173.168 -1.757 19657 364 1 2 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.270 -3.396 19657 365 1 2 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.550 -3.067 19657 366 1 2 . 1 1 12 12 ASN H H 12 7.589 7.589 8.128 -0.539 19657 367 1 2 . 1 1 13 13 GLU N N 13 114.653 114.653 114.138 0.515 19657 368 1 2 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.915 -0.041 19657 369 1 2 . 1 1 13 13 GLU C C 13 170.929 170.929 174.587 -3.658 19657 370 1 2 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.249 -2.220 19657 371 1 2 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.292 0.481 19657 372 1 2 . 1 1 13 13 GLU H H 13 7.237 7.237 7.598 -0.361 19657 373 1 2 . 1 1 14 14 CYS N N 14 123.273 123.273 121.517 1.756 19657 374 1 2 . 1 1 14 14 CYS HA H 14 4.632 4.632 4.983 -0.351 19657 375 1 2 . 1 1 14 14 CYS C C 14 168.900 168.900 173.371 -4.471 19657 376 1 2 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.532 -6.418 19657 377 1 2 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.420 9.122 19657 378 1 2 . 1 1 14 14 CYS H H 14 9.637 9.637 9.034 0.603 19657 379 1 2 . 1 1 15 15 LYS N N 15 111.712 111.712 122.230 -10.518 19657 380 1 2 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.265 -0.337 19657 381 1 2 . 1 1 15 15 LYS C C 15 172.655 172.655 174.687 -2.032 19657 382 1 2 . 1 1 15 15 LYS CA C 15 51.435 51.435 54.958 -3.523 19657 383 1 2 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.212 -2.740 19657 384 1 2 . 1 1 15 15 LYS H H 15 8.620 8.620 8.344 0.276 19657 385 1 2 . 1 1 16 16 TYR N N 16 126.641 126.641 119.848 6.793 19657 386 1 2 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.067 -0.162 19657 387 1 2 . 1 1 16 16 TYR C C 16 168.924 168.924 174.121 -5.197 19657 388 1 2 . 1 1 16 16 TYR CA C 16 52.093 52.093 54.747 -2.654 19657 389 1 2 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.685 -3.206 19657 390 1 2 . 1 1 16 16 TYR H H 16 8.993 8.993 8.581 0.412 19657 391 1 2 . 1 1 17 17 LYS N N 17 120.730 120.730 122.201 -1.471 19657 392 1 2 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.889 -0.475 19657 393 1 2 . 1 1 17 17 LYS C C 17 173.386 173.386 176.447 -3.061 19657 394 1 2 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.181 -3.487 19657 395 1 2 . 1 1 17 17 LYS CB C 17 30.894 30.894 33.779 -2.885 19657 396 1 2 . 1 1 17 17 LYS H H 17 8.414 8.414 8.819 -0.405 19657 397 1 2 . 1 1 18 18 ASN N N 18 122.104 122.104 124.000 -1.896 19657 398 1 2 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.491 -0.395 19657 399 1 2 . 1 1 18 18 ASN C C 18 173.990 173.990 176.803 -2.813 19657 400 1 2 . 1 1 18 18 ASN CA C 18 48.158 48.158 52.239 -4.082 19657 401 1 2 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.036 -3.893 19657 402 1 2 . 1 1 18 18 ASN H H 18 7.729 7.729 8.276 -0.547 19657 403 1 2 . 1 1 19 19 ASP N N 19 117.316 117.316 119.016 -1.700 19657 404 1 2 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.435 -0.062 19657 405 1 2 . 1 1 19 19 ASP C C 19 173.929 173.929 176.814 -2.885 19657 406 1 2 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.837 -2.572 19657 407 1 2 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.097 -2.738 19657 408 1 2 . 1 1 19 19 ASP H H 19 8.231 8.231 8.788 -0.557 19657 409 1 2 . 1 1 20 20 ALA N N 20 120.814 120.814 121.084 -0.270 19657 410 1 2 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.282 0.113 19657 411 1 2 . 1 1 20 20 ALA C C 20 174.854 174.854 178.686 -3.832 19657 412 1 2 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.164 -3.399 19657 413 1 2 . 1 1 20 20 ALA CB C 20 16.013 16.013 18.804 -2.791 19657 414 1 2 . 1 1 20 20 ALA H H 20 7.413 7.413 8.077 -0.664 19657 415 1 2 . 1 1 21 21 GLY N N 21 126.585 126.585 107.563 19.022 19657 416 1 2 . 1 1 21 21 GLY C C 21 171.015 171.015 174.351 -3.336 19657 417 1 2 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.161 -2.334 19657 418 1 2 . 1 1 21 21 GLY H H 21 8.162 8.162 8.292 -0.130 19657 419 1 2 . 1 1 22 22 LYS N N 22 120.322 120.322 121.557 -1.235 19657 420 1 2 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.345 -0.028 19657 421 1 2 . 1 1 22 22 LYS C C 22 174.076 174.076 175.010 -0.934 19657 422 1 2 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.767 -4.331 19657 423 1 2 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.343 -2.767 19657 424 1 2 . 1 1 22 22 LYS H H 22 7.676 7.676 7.664 0.012 19657 425 1 2 . 1 1 23 23 ASP N N 23 126.455 126.455 121.011 5.444 19657 426 1 2 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.814 -0.552 19657 427 1 2 . 1 1 23 23 ASP C C 23 172.391 172.391 176.063 -3.672 19657 428 1 2 . 1 1 23 23 ASP CA C 23 52.973 52.973 53.479 -0.506 19657 429 1 2 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.265 -3.142 19657 430 1 2 . 1 1 23 23 ASP H H 23 8.619 8.619 8.284 0.336 19657 431 1 2 . 1 1 24 24 THR N N 24 122.762 122.762 119.410 3.352 19657 432 1 2 . 1 1 24 24 THR HA H 24 4.009 4.009 4.475 -0.466 19657 433 1 2 . 1 1 24 24 THR C C 24 167.562 167.562 172.790 -5.228 19657 434 1 2 . 1 1 24 24 THR CA C 24 59.223 59.223 61.290 -2.067 19657 435 1 2 . 1 1 24 24 THR CB C 24 67.985 67.985 70.913 -2.928 19657 436 1 2 . 1 1 24 24 THR H H 24 8.773 8.773 8.686 0.087 19657 437 1 2 . 1 1 25 25 PHE N N 25 122.224 122.224 123.871 -1.647 19657 438 1 2 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.441 -0.059 19657 439 1 2 . 1 1 25 25 PHE C C 25 172.781 172.781 174.088 -1.307 19657 440 1 2 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.115 -1.518 19657 441 1 2 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.140 -1.895 19657 442 1 2 . 1 1 25 25 PHE H H 25 8.314 8.314 7.689 0.625 19657 443 1 2 . 1 1 26 26 ILE N N 26 123.050 123.050 123.372 -0.322 19657 444 1 2 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.527 0.089 19657 445 1 2 . 1 1 26 26 ILE C C 26 170.373 170.373 174.352 -3.979 19657 446 1 2 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.642 -2.798 19657 447 1 2 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.863 -3.388 19657 448 1 2 . 1 1 26 26 ILE H H 26 9.093 9.093 9.095 -0.002 19657 449 1 2 . 1 1 27 27 LYS N N 27 126.928 126.928 124.888 2.040 19657 450 1 2 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.232 -0.041 19657 451 1 2 . 1 1 27 27 LYS C C 27 174.551 174.551 175.953 -1.402 19657 452 1 2 . 1 1 27 27 LYS CA C 27 55.166 55.166 57.348 -2.182 19657 453 1 2 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.561 -2.981 19657 454 1 2 . 1 1 27 27 LYS H H 27 8.309 8.309 8.246 0.063 19657 455 1 2 . 1 1 28 28 CYS N N 28 119.357 119.357 122.664 -3.307 19657 456 1 2 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.813 -0.241 19657 457 1 2 . 1 1 28 28 CYS C C 28 169.287 169.287 173.005 -3.718 19657 458 1 2 . 1 1 28 28 CYS CA C 28 52.541 52.541 56.887 -4.346 19657 459 1 2 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.608 9.979 19657 460 1 2 . 1 1 28 28 CYS H H 28 8.414 8.414 8.529 -0.115 19657 461 1 2 . 1 1 30 30 LYS N N 30 116.481 116.481 119.752 -3.271 19657 462 1 2 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.270 -0.314 19657 463 1 2 . 1 1 30 30 LYS C C 30 173.819 173.819 176.112 -2.293 19657 464 1 2 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.434 -2.937 19657 465 1 2 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.280 -2.190 19657 466 1 2 . 1 1 30 30 LYS H H 30 8.004 8.004 8.216 -0.212 19657 467 1 2 . 1 1 31 31 PHE N N 31 116.963 116.963 119.021 -2.058 19657 468 1 2 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.537 -0.060 19657 469 1 2 . 1 1 31 31 PHE C C 31 173.518 173.518 177.458 -3.940 19657 470 1 2 . 1 1 31 31 PHE CA C 31 54.044 54.044 57.711 -3.667 19657 471 1 2 . 1 1 31 31 PHE CB C 31 37.643 37.643 39.888 -2.244 19657 472 1 2 . 1 1 31 31 PHE H H 31 6.424 6.424 7.633 -1.209 19657 473 1 2 . 1 1 32 32 ASP N N 32 121.612 121.612 122.835 -1.223 19657 474 1 2 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.432 -0.296 19657 475 1 2 . 1 1 32 32 ASP C C 32 173.688 173.688 177.573 -3.885 19657 476 1 2 . 1 1 32 32 ASP CA C 32 54.793 54.793 57.038 -2.245 19657 477 1 2 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.967 -3.075 19657 478 1 2 . 1 1 32 32 ASP H H 32 8.800 8.800 8.998 -0.198 19657 479 1 2 . 1 1 33 33 ASN N N 33 113.168 113.168 115.408 -2.240 19657 480 1 2 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.574 -0.011 19657 481 1 2 . 1 1 33 33 ASN C C 33 172.656 172.656 175.655 -2.999 19657 482 1 2 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.565 -3.203 19657 483 1 2 . 1 1 33 33 ASN CB C 33 34.754 34.754 39.004 -4.250 19657 484 1 2 . 1 1 33 33 ASN H H 33 8.455 8.455 8.294 0.161 19657 485 1 2 . 1 1 34 34 LYS N N 34 117.622 117.622 118.442 -0.820 19657 486 1 2 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.536 0.328 19657 487 1 2 . 1 1 34 34 LYS C C 34 171.666 171.666 173.923 -2.257 19657 488 1 2 . 1 1 34 34 LYS CA C 34 52.148 52.148 55.942 -3.794 19657 489 1 2 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.155 -2.342 19657 490 1 2 . 1 1 34 34 LYS H H 34 7.676 7.676 7.836 -0.160 19657 491 1 2 . 1 1 35 35 LYS N N 35 116.880 116.880 117.923 -1.043 19657 492 1 2 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.713 -0.214 19657 493 1 2 . 1 1 35 35 LYS C C 35 172.133 172.133 174.513 -2.380 19657 494 1 2 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.834 -2.679 19657 495 1 2 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.509 -4.734 19657 496 1 2 . 1 1 35 35 LYS H H 35 6.927 6.927 7.935 -1.008 19657 497 1 2 . 1 1 36 36 CYS N N 36 117.678 117.678 119.945 -2.267 19657 498 1 2 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.790 -0.103 19657 499 1 2 . 1 1 36 36 CYS C C 36 174.909 174.909 175.934 -1.025 19657 500 1 2 . 1 1 36 36 CYS CA C 36 53.356 53.356 59.040 -5.684 19657 501 1 2 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.583 12.120 19657 502 1 2 . 1 1 36 36 CYS H H 36 8.572 8.572 8.858 -0.286 19657 503 1 2 . 1 1 37 37 THR N N 37 121.872 121.872 121.509 0.363 19657 504 1 2 . 1 1 37 37 THR HA H 37 4.219 4.219 4.382 -0.163 19657 505 1 2 . 1 1 37 37 THR C C 37 172.565 172.565 174.292 -1.727 19657 506 1 2 . 1 1 37 37 THR CA C 37 60.478 60.478 63.260 -2.781 19657 507 1 2 . 1 1 37 37 THR CB C 37 68.235 68.235 69.264 -1.029 19657 508 1 2 . 1 1 37 37 THR H H 37 10.105 10.105 8.809 1.296 19657 509 1 2 . 1 1 38 38 LYS N N 38 122.020 122.020 119.513 2.507 19657 510 1 2 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.578 -0.423 19657 511 1 2 . 1 1 38 38 LYS C C 38 170.713 170.713 174.566 -3.853 19657 512 1 2 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.496 -0.631 19657 513 1 2 . 1 1 38 38 LYS CB C 38 32.499 32.499 36.210 -3.711 19657 514 1 2 . 1 1 38 38 LYS H H 38 7.258 7.258 7.647 -0.389 19657 515 1 2 . 1 1 39 39 ASP N N 39 124.776 124.776 119.888 4.888 19657 516 1 2 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.523 0.054 19657 517 1 2 . 1 1 39 39 ASP C C 39 175.068 175.068 176.609 -1.541 19657 518 1 2 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.420 -0.387 19657 519 1 2 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.320 -3.866 19657 520 1 2 . 1 1 39 39 ASP H H 39 8.783 8.783 8.350 0.433 19657 521 1 2 . 1 1 40 40 ASN N N 40 114.764 114.764 115.492 -0.728 19657 522 1 2 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.270 -0.008 19657 523 1 2 . 1 1 40 40 ASN C C 40 171.530 171.530 174.637 -3.107 19657 524 1 2 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.359 -1.384 19657 525 1 2 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.211 -4.031 19657 526 1 2 . 1 1 40 40 ASN H H 40 9.467 9.467 8.430 1.037 19657 527 1 2 . 1 1 41 41 ASN N N 41 120.183 120.183 116.073 4.110 19657 528 1 2 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.514 0.161 19657 529 1 2 . 1 1 41 41 ASN C C 41 171.964 171.964 175.012 -3.048 19657 530 1 2 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.619 -5.251 19657 531 1 2 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.639 -3.241 19657 532 1 2 . 1 1 41 41 ASN H H 41 7.729 7.729 7.831 -0.102 19657 533 1 2 . 1 1 42 42 LYS N N 42 119.700 119.700 117.805 1.895 19657 534 1 2 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.186 -0.831 19657 535 1 2 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.188 -0.638 19657 536 1 2 . 1 1 42 42 LYS CB C 42 30.627 30.627 36.082 -5.455 19657 537 1 2 . 1 1 42 42 LYS H H 42 8.496 8.496 8.338 0.158 19657 538 1 2 . 1 1 43 43 CYS N N 43 113.920 113.920 118.157 -4.237 19657 539 1 2 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.448 -0.104 19657 540 1 2 . 1 1 43 43 CYS C C 43 169.725 169.725 174.021 -4.296 19657 541 1 2 . 1 1 43 43 CYS CA C 43 50.891 50.891 57.065 -6.174 19657 542 1 2 . 1 1 43 43 CYS H H 43 7.542 7.542 9.251 -1.709 19657 543 1 2 . 1 1 44 44 THR N N 44 113.141 113.141 114.868 -1.727 19657 544 1 2 . 1 1 44 44 THR HA H 44 5.229 5.229 5.112 0.117 19657 545 1 2 . 1 1 44 44 THR C C 44 169.993 169.993 173.156 -3.163 19657 546 1 2 . 1 1 44 44 THR CA C 44 57.308 57.308 61.282 -3.974 19657 547 1 2 . 1 1 44 44 THR CB C 44 69.607 69.607 71.384 -1.777 19657 548 1 2 . 1 1 44 44 THR H H 44 8.987 8.987 8.981 0.006 19657 549 1 2 . 1 1 45 45 VAL N N 45 121.909 121.909 123.522 -1.613 19657 550 1 2 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.917 -0.430 19657 551 1 2 . 1 1 45 45 VAL C C 45 171.182 171.182 173.845 -2.663 19657 552 1 2 . 1 1 45 45 VAL CA C 45 58.069 58.069 60.860 -2.791 19657 553 1 2 . 1 1 45 45 VAL CB C 45 33.384 33.384 35.139 -1.756 19657 554 1 2 . 1 1 45 45 VAL H H 45 8.571 8.571 8.265 0.306 19657 555 1 2 . 1 1 46 46 ASP N N 46 126.446 126.446 126.970 -0.524 19657 556 1 2 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.447 -0.120 19657 557 1 2 . 1 1 46 46 ASP C C 46 175.630 175.630 176.803 -1.173 19657 558 1 2 . 1 1 46 46 ASP CA C 46 49.255 49.255 53.071 -3.816 19657 559 1 2 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.726 -4.675 19657 560 1 2 . 1 1 46 46 ASP H H 46 8.566 8.566 8.700 -0.134 19657 561 1 2 . 1 1 47 47 THR N N 47 114.273 114.273 119.757 -5.484 19657 562 1 2 . 1 1 47 47 THR HA H 47 4.185 4.185 4.292 -0.107 19657 563 1 2 . 1 1 47 47 THR C C 47 173.322 173.322 175.292 -1.970 19657 564 1 2 . 1 1 47 47 THR CA C 47 60.559 60.559 64.355 -3.796 19657 565 1 2 . 1 1 47 47 THR CB C 47 66.582 66.582 69.408 -2.826 19657 566 1 2 . 1 1 47 47 THR H H 47 9.087 9.087 8.925 0.162 19657 567 1 2 . 1 1 48 48 TYR N N 48 123.848 123.848 122.206 1.642 19657 568 1 2 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.363 0.030 19657 569 1 2 . 1 1 48 48 TYR C C 48 173.776 173.776 176.304 -2.528 19657 570 1 2 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.724 -3.105 19657 571 1 2 . 1 1 48 48 TYR CB C 48 35.817 35.817 39.087 -3.269 19657 572 1 2 . 1 1 48 48 TYR H H 48 8.818 8.818 7.962 0.856 19657 573 1 2 . 1 1 49 49 ASN N N 49 113.642 113.642 114.247 -0.605 19657 574 1 2 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.543 -0.078 19657 575 1 2 . 1 1 49 49 ASN C C 49 172.356 172.356 174.648 -2.292 19657 576 1 2 . 1 1 49 49 ASN CA C 49 49.231 49.231 52.732 -3.501 19657 577 1 2 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.752 -4.268 19657 578 1 2 . 1 1 49 49 ASN H H 49 7.460 7.460 8.136 -0.676 19657 579 1 2 . 1 1 50 50 ASN N N 50 117.167 117.167 117.353 -0.186 19657 580 1 2 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.421 -0.231 19657 581 1 2 . 1 1 50 50 ASN C C 50 170.581 170.581 173.468 -2.887 19657 582 1 2 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.276 -2.613 19657 583 1 2 . 1 1 50 50 ASN CB C 50 34.202 34.202 36.869 -2.667 19657 584 1 2 . 1 1 50 50 ASN H H 50 7.886 7.886 8.019 -0.133 19657 585 1 2 . 1 1 51 51 ALA N N 51 121.083 121.083 120.430 0.653 19657 586 1 2 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.672 -0.240 19657 587 1 2 . 1 1 51 51 ALA C C 51 174.002 174.002 175.571 -1.569 19657 588 1 2 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.392 -1.789 19657 589 1 2 . 1 1 51 51 ALA CB C 51 17.688 17.688 21.844 -4.156 19657 590 1 2 . 1 1 51 51 ALA H H 51 7.843 7.843 7.428 0.415 19657 591 1 2 . 1 1 52 52 VAL N N 52 125.592 125.592 121.204 4.388 19657 592 1 2 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.130 -0.231 19657 593 1 2 . 1 1 52 52 VAL C C 52 171.449 171.449 175.133 -3.684 19657 594 1 2 . 1 1 52 52 VAL CA C 52 57.894 57.894 61.106 -3.212 19657 595 1 2 . 1 1 52 52 VAL CB C 52 32.369 32.369 35.475 -3.106 19657 596 1 2 . 1 1 52 52 VAL H H 52 8.241 8.241 8.368 -0.127 19657 597 1 2 . 1 1 53 53 ASP N N 53 125.731 125.731 126.728 -0.997 19657 598 1 2 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.964 -0.041 19657 599 1 2 . 1 1 53 53 ASP C C 53 172.314 172.314 174.602 -2.288 19657 600 1 2 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.468 -3.138 19657 601 1 2 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.616 -3.854 19657 602 1 2 . 1 1 53 53 ASP H H 53 8.613 8.613 8.965 -0.352 19657 603 1 2 . 1 1 54 54 CYS N N 54 122.864 122.864 122.399 0.465 19657 604 1 2 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.677 -0.043 19657 605 1 2 . 1 1 54 54 CYS C C 54 167.690 167.690 175.037 -7.347 19657 606 1 2 . 1 1 54 54 CYS CA C 54 51.047 51.047 58.105 -7.058 19657 607 1 2 . 1 1 54 54 CYS CB C 54 41.549 41.549 29.791 11.758 19657 608 1 2 . 1 1 54 54 CYS H H 54 8.627 8.627 8.816 -0.189 19657 609 1 3 . 1 1 2 2 LYS N N 2 119.803 119.803 119.399 0.404 19657 610 1 3 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.441 0.808 19657 611 1 3 . 1 1 2 2 LYS C C 2 172.912 172.912 175.171 -2.259 19657 612 1 3 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.401 -3.212 19657 613 1 3 . 1 1 2 2 LYS CB C 2 31.708 31.708 32.361 -0.653 19657 614 1 3 . 1 1 2 2 LYS H H 2 8.180 8.180 7.425 0.755 19657 615 1 3 . 1 1 3 3 TYR N N 3 122.744 122.744 124.981 -2.237 19657 616 1 3 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.764 0.032 19657 617 1 3 . 1 1 3 3 TYR C C 3 172.523 172.523 175.162 -2.639 19657 618 1 3 . 1 1 3 3 TYR CA C 3 53.741 53.741 57.135 -3.394 19657 619 1 3 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.428 -0.739 19657 620 1 3 . 1 1 3 3 TYR H H 3 8.951 8.951 7.950 1.001 19657 621 1 3 . 1 1 4 4 THR N N 4 117.010 117.010 119.438 -2.428 19657 622 1 3 . 1 1 4 4 THR HA H 4 5.012 5.012 4.730 0.282 19657 623 1 3 . 1 1 4 4 THR C C 4 171.489 171.489 173.638 -2.149 19657 624 1 3 . 1 1 4 4 THR CA C 4 58.808 58.808 60.579 -1.771 19657 625 1 3 . 1 1 4 4 THR CB C 4 67.837 67.837 70.030 -2.193 19657 626 1 3 . 1 1 4 4 THR H H 4 8.870 8.870 8.715 0.155 19657 627 1 3 . 1 1 5 5 GLY N N 5 115.340 115.340 114.273 1.067 19657 628 1 3 . 1 1 5 5 GLY C C 5 171.505 171.505 172.056 -0.551 19657 629 1 3 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.793 -2.727 19657 630 1 3 . 1 1 5 5 GLY H H 5 9.116 9.116 8.104 1.012 19657 631 1 3 . 1 1 6 6 LYS N N 6 121.120 121.120 119.927 1.193 19657 632 1 3 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.200 0.189 19657 633 1 3 . 1 1 6 6 LYS C C 6 174.162 174.162 175.815 -1.653 19657 634 1 3 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.889 -3.245 19657 635 1 3 . 1 1 6 6 LYS CB C 6 34.997 34.997 35.987 -0.990 19657 636 1 3 . 1 1 6 6 LYS H H 6 8.408 8.408 8.180 0.228 19657 637 1 3 . 1 1 7 7 CYS N N 7 122.530 122.530 119.224 3.306 19657 638 1 3 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.700 0.632 19657 639 1 3 . 1 1 7 7 CYS C C 7 169.635 169.635 173.893 -4.258 19657 640 1 3 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.727 -5.317 19657 641 1 3 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.600 11.045 19657 642 1 3 . 1 1 7 7 CYS H H 7 9.795 9.795 7.885 1.910 19657 643 1 3 . 1 1 8 8 THR N N 8 112.909 112.909 113.421 -0.512 19657 644 1 3 . 1 1 8 8 THR HA H 8 4.690 4.690 4.679 0.011 19657 645 1 3 . 1 1 8 8 THR C C 8 172.048 172.048 174.754 -2.706 19657 646 1 3 . 1 1 8 8 THR CA C 8 57.291 57.291 59.807 -2.516 19657 647 1 3 . 1 1 8 8 THR CB C 8 68.608 68.608 71.043 -2.435 19657 648 1 3 . 1 1 8 8 THR H H 8 8.630 8.630 8.065 0.565 19657 649 1 3 . 1 1 9 9 LYS N N 9 127.151 127.151 123.036 4.115 19657 650 1 3 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.117 -0.559 19657 651 1 3 . 1 1 9 9 LYS C C 9 176.697 176.697 177.110 -0.413 19657 652 1 3 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.482 -1.286 19657 653 1 3 . 1 1 9 9 LYS CB C 9 31.079 31.079 32.353 -1.274 19657 654 1 3 . 1 1 9 9 LYS H H 9 8.916 8.916 8.442 0.474 19657 655 1 3 . 1 1 10 10 SER N N 10 116.323 116.323 116.307 0.016 19657 656 1 3 . 1 1 10 10 SER C C 10 176.174 176.174 175.112 1.062 19657 657 1 3 . 1 1 10 10 SER CA C 10 59.045 59.045 60.674 -1.629 19657 658 1 3 . 1 1 10 10 SER H H 10 9.391 9.391 7.701 1.690 19657 659 1 3 . 1 1 11 11 LYS N N 11 116.908 116.908 117.984 -1.076 19657 660 1 3 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.424 -0.273 19657 661 1 3 . 1 1 11 11 LYS C C 11 173.027 173.027 176.283 -3.256 19657 662 1 3 . 1 1 11 11 LYS CA C 11 53.362 53.362 56.106 -2.744 19657 663 1 3 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.742 -2.192 19657 664 1 3 . 1 1 11 11 LYS H H 11 7.079 7.079 8.377 -1.298 19657 665 1 3 . 1 1 12 12 ASN N N 12 120.313 120.313 117.007 3.306 19657 666 1 3 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.508 0.077 19657 667 1 3 . 1 1 12 12 ASN C C 12 171.411 171.411 173.244 -1.833 19657 668 1 3 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.372 -3.498 19657 669 1 3 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.794 -3.311 19657 670 1 3 . 1 1 12 12 ASN H H 12 7.589 7.589 7.998 -0.409 19657 671 1 3 . 1 1 13 13 GLU N N 13 114.653 114.653 117.093 -2.440 19657 672 1 3 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.705 0.169 19657 673 1 3 . 1 1 13 13 GLU C C 13 170.929 170.929 174.547 -3.618 19657 674 1 3 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.654 -2.625 19657 675 1 3 . 1 1 13 13 GLU CB C 13 33.773 33.773 32.843 0.930 19657 676 1 3 . 1 1 13 13 GLU H H 13 7.237 7.237 7.762 -0.525 19657 677 1 3 . 1 1 14 14 CYS N N 14 123.273 123.273 124.059 -0.786 19657 678 1 3 . 1 1 14 14 CYS HA H 14 4.632 4.632 4.855 -0.223 19657 679 1 3 . 1 1 14 14 CYS C C 14 168.900 168.900 173.477 -4.577 19657 680 1 3 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.574 -6.460 19657 681 1 3 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.261 9.281 19657 682 1 3 . 1 1 14 14 CYS H H 14 9.637 9.637 8.922 0.715 19657 683 1 3 . 1 1 15 15 LYS N N 15 111.712 111.712 123.936 -12.224 19657 684 1 3 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.342 -0.414 19657 685 1 3 . 1 1 15 15 LYS C C 15 172.655 172.655 174.527 -1.872 19657 686 1 3 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.441 -4.006 19657 687 1 3 . 1 1 15 15 LYS CB C 15 31.472 31.472 35.474 -4.002 19657 688 1 3 . 1 1 15 15 LYS H H 15 8.620 8.620 8.468 0.152 19657 689 1 3 . 1 1 16 16 TYR N N 16 126.641 126.641 122.558 4.083 19657 690 1 3 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.017 -0.112 19657 691 1 3 . 1 1 16 16 TYR C C 16 168.924 168.924 173.313 -4.389 19657 692 1 3 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.447 -3.354 19657 693 1 3 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.623 -3.144 19657 694 1 3 . 1 1 16 16 TYR H H 16 8.993 8.993 9.147 -0.154 19657 695 1 3 . 1 1 17 17 LYS N N 17 120.730 120.730 121.852 -1.122 19657 696 1 3 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.737 -0.323 19657 697 1 3 . 1 1 17 17 LYS C C 17 173.386 173.386 176.423 -3.037 19657 698 1 3 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.154 -3.460 19657 699 1 3 . 1 1 17 17 LYS CB C 17 30.894 30.894 33.821 -2.927 19657 700 1 3 . 1 1 17 17 LYS H H 17 8.414 8.414 8.743 -0.329 19657 701 1 3 . 1 1 18 18 ASN N N 18 122.104 122.104 123.601 -1.497 19657 702 1 3 . 1 1 18 18 ASN HA H 18 4.096 4.096 3.915 0.181 19657 703 1 3 . 1 1 18 18 ASN C C 18 173.990 173.990 176.408 -2.418 19657 704 1 3 . 1 1 18 18 ASN CA C 18 48.158 48.158 52.472 -4.314 19657 705 1 3 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.053 -3.910 19657 706 1 3 . 1 1 18 18 ASN H H 18 7.729 7.729 7.999 -0.270 19657 707 1 3 . 1 1 19 19 ASP N N 19 117.316 117.316 119.522 -2.206 19657 708 1 3 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.556 -0.183 19657 709 1 3 . 1 1 19 19 ASP C C 19 173.929 173.929 176.818 -2.889 19657 710 1 3 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.968 -2.703 19657 711 1 3 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.584 -3.225 19657 712 1 3 . 1 1 19 19 ASP H H 19 8.231 8.231 8.790 -0.559 19657 713 1 3 . 1 1 20 20 ALA N N 20 120.814 120.814 120.119 0.695 19657 714 1 3 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.274 0.121 19657 715 1 3 . 1 1 20 20 ALA C C 20 174.854 174.854 178.282 -3.428 19657 716 1 3 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.285 -3.520 19657 717 1 3 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.260 -3.247 19657 718 1 3 . 1 1 20 20 ALA H H 20 7.413 7.413 8.471 -1.058 19657 719 1 3 . 1 1 21 21 GLY N N 21 126.585 126.585 105.673 20.912 19657 720 1 3 . 1 1 21 21 GLY C C 21 171.015 171.015 173.804 -2.789 19657 721 1 3 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.191 -2.364 19657 722 1 3 . 1 1 21 21 GLY H H 21 8.162 8.162 7.952 0.210 19657 723 1 3 . 1 1 22 22 LYS N N 22 120.322 120.322 121.371 -1.049 19657 724 1 3 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.287 0.030 19657 725 1 3 . 1 1 22 22 LYS C C 22 174.076 174.076 175.892 -1.816 19657 726 1 3 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.913 -4.477 19657 727 1 3 . 1 1 22 22 LYS CB C 22 30.576 30.576 32.786 -2.210 19657 728 1 3 . 1 1 22 22 LYS H H 22 7.676 7.676 7.742 -0.066 19657 729 1 3 . 1 1 23 23 ASP N N 23 126.455 126.455 122.762 3.693 19657 730 1 3 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.398 -0.136 19657 731 1 3 . 1 1 23 23 ASP C C 23 172.391 172.391 175.769 -3.378 19657 732 1 3 . 1 1 23 23 ASP CA C 23 52.973 52.973 54.240 -1.267 19657 733 1 3 . 1 1 23 23 ASP CB C 23 38.123 38.123 40.596 -2.473 19657 734 1 3 . 1 1 23 23 ASP H H 23 8.619 8.619 8.481 0.138 19657 735 1 3 . 1 1 24 24 THR N N 24 122.762 122.762 119.737 3.025 19657 736 1 3 . 1 1 24 24 THR HA H 24 4.009 4.009 4.392 -0.383 19657 737 1 3 . 1 1 24 24 THR C C 24 167.562 167.562 172.783 -5.221 19657 738 1 3 . 1 1 24 24 THR CA C 24 59.223 59.223 61.403 -2.180 19657 739 1 3 . 1 1 24 24 THR CB C 24 67.985 67.985 70.598 -2.613 19657 740 1 3 . 1 1 24 24 THR H H 24 8.773 8.773 8.587 0.186 19657 741 1 3 . 1 1 25 25 PHE N N 25 122.224 122.224 124.866 -2.642 19657 742 1 3 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.482 -0.100 19657 743 1 3 . 1 1 25 25 PHE C C 25 172.781 172.781 174.220 -1.439 19657 744 1 3 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.450 -1.853 19657 745 1 3 . 1 1 25 25 PHE CB C 25 39.245 39.245 40.735 -1.490 19657 746 1 3 . 1 1 25 25 PHE H H 25 8.314 8.314 7.722 0.592 19657 747 1 3 . 1 1 26 26 ILE N N 26 123.050 123.050 124.400 -1.350 19657 748 1 3 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.585 0.031 19657 749 1 3 . 1 1 26 26 ILE C C 26 170.373 170.373 174.327 -3.954 19657 750 1 3 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.349 -2.505 19657 751 1 3 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.711 -3.236 19657 752 1 3 . 1 1 26 26 ILE H H 26 9.093 9.093 9.042 0.051 19657 753 1 3 . 1 1 27 27 LYS N N 27 126.928 126.928 124.433 2.495 19657 754 1 3 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.291 -0.100 19657 755 1 3 . 1 1 27 27 LYS C C 27 174.551 174.551 175.629 -1.078 19657 756 1 3 . 1 1 27 27 LYS CA C 27 55.166 55.166 56.299 -1.133 19657 757 1 3 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.286 -2.706 19657 758 1 3 . 1 1 27 27 LYS H H 27 8.309 8.309 8.267 0.042 19657 759 1 3 . 1 1 28 28 CYS N N 28 119.357 119.357 122.576 -3.219 19657 760 1 3 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.894 -0.322 19657 761 1 3 . 1 1 28 28 CYS C C 28 169.287 169.287 173.036 -3.749 19657 762 1 3 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.261 -4.720 19657 763 1 3 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.009 10.578 19657 764 1 3 . 1 1 28 28 CYS H H 28 8.414 8.414 8.422 -0.008 19657 765 1 3 . 1 1 30 30 LYS N N 30 116.481 116.481 120.050 -3.569 19657 766 1 3 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.365 -0.409 19657 767 1 3 . 1 1 30 30 LYS C C 30 173.819 173.819 176.280 -2.461 19657 768 1 3 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.498 -3.001 19657 769 1 3 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.445 -2.355 19657 770 1 3 . 1 1 30 30 LYS H H 30 8.004 8.004 8.519 -0.515 19657 771 1 3 . 1 1 31 31 PHE N N 31 116.963 116.963 119.370 -2.407 19657 772 1 3 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.526 -0.049 19657 773 1 3 . 1 1 31 31 PHE C C 31 173.518 173.518 177.321 -3.803 19657 774 1 3 . 1 1 31 31 PHE CA C 31 54.044 54.044 58.425 -4.381 19657 775 1 3 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.156 -2.513 19657 776 1 3 . 1 1 31 31 PHE H H 31 6.424 6.424 7.899 -1.475 19657 777 1 3 . 1 1 32 32 ASP N N 32 121.612 121.612 123.250 -1.638 19657 778 1 3 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.388 -0.252 19657 779 1 3 . 1 1 32 32 ASP C C 32 173.688 173.688 178.111 -4.423 19657 780 1 3 . 1 1 32 32 ASP CA C 32 54.793 54.793 57.319 -2.526 19657 781 1 3 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.908 -3.016 19657 782 1 3 . 1 1 32 32 ASP H H 32 8.800 8.800 8.833 -0.033 19657 783 1 3 . 1 1 33 33 ASN N N 33 113.168 113.168 116.596 -3.428 19657 784 1 3 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.681 -0.118 19657 785 1 3 . 1 1 33 33 ASN C C 33 172.656 172.656 175.132 -2.476 19657 786 1 3 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.536 -3.174 19657 787 1 3 . 1 1 33 33 ASN CB C 33 34.754 34.754 39.101 -4.347 19657 788 1 3 . 1 1 33 33 ASN H H 33 8.455 8.455 8.573 -0.118 19657 789 1 3 . 1 1 34 34 LYS N N 34 117.622 117.622 117.834 -0.212 19657 790 1 3 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.519 0.345 19657 791 1 3 . 1 1 34 34 LYS C C 34 171.666 171.666 173.920 -2.254 19657 792 1 3 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.312 -4.164 19657 793 1 3 . 1 1 34 34 LYS CB C 34 32.813 32.813 34.979 -2.166 19657 794 1 3 . 1 1 34 34 LYS H H 34 7.676 7.676 7.770 -0.094 19657 795 1 3 . 1 1 35 35 LYS N N 35 116.880 116.880 117.583 -0.703 19657 796 1 3 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.841 -0.342 19657 797 1 3 . 1 1 35 35 LYS C C 35 172.133 172.133 173.974 -1.841 19657 798 1 3 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.823 -2.668 19657 799 1 3 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.707 -4.932 19657 800 1 3 . 1 1 35 35 LYS H H 35 6.927 6.927 7.800 -0.873 19657 801 1 3 . 1 1 36 36 CYS N N 36 117.678 117.678 119.305 -1.627 19657 802 1 3 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.840 -0.153 19657 803 1 3 . 1 1 36 36 CYS C C 36 174.909 174.909 176.641 -1.732 19657 804 1 3 . 1 1 36 36 CYS CA C 36 53.356 53.356 58.833 -5.477 19657 805 1 3 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.552 12.151 19657 806 1 3 . 1 1 36 36 CYS H H 36 8.572 8.572 8.708 -0.136 19657 807 1 3 . 1 1 37 37 THR N N 37 121.872 121.872 116.933 4.939 19657 808 1 3 . 1 1 37 37 THR HA H 37 4.219 4.219 4.362 -0.143 19657 809 1 3 . 1 1 37 37 THR C C 37 172.565 172.565 174.064 -1.499 19657 810 1 3 . 1 1 37 37 THR CA C 37 60.478 60.478 63.104 -2.626 19657 811 1 3 . 1 1 37 37 THR CB C 37 68.235 68.235 69.763 -1.528 19657 812 1 3 . 1 1 37 37 THR H H 37 10.105 10.105 8.605 1.500 19657 813 1 3 . 1 1 38 38 LYS N N 38 122.020 122.020 119.650 2.370 19657 814 1 3 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.526 -0.371 19657 815 1 3 . 1 1 38 38 LYS C C 38 170.713 170.713 174.369 -3.656 19657 816 1 3 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.714 -0.849 19657 817 1 3 . 1 1 38 38 LYS CB C 38 32.499 32.499 36.324 -3.825 19657 818 1 3 . 1 1 38 38 LYS H H 38 7.258 7.258 7.706 -0.448 19657 819 1 3 . 1 1 39 39 ASP N N 39 124.776 124.776 121.186 3.590 19657 820 1 3 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.631 -0.054 19657 821 1 3 . 1 1 39 39 ASP C C 39 175.068 175.068 176.801 -1.733 19657 822 1 3 . 1 1 39 39 ASP CA C 39 54.033 54.033 55.246 -1.213 19657 823 1 3 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.215 -3.760 19657 824 1 3 . 1 1 39 39 ASP H H 39 8.783 8.783 8.451 0.332 19657 825 1 3 . 1 1 40 40 ASN N N 40 114.764 114.764 115.857 -1.093 19657 826 1 3 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.314 -0.052 19657 827 1 3 . 1 1 40 40 ASN C C 40 171.530 171.530 174.740 -3.210 19657 828 1 3 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.287 -1.312 19657 829 1 3 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.219 -4.039 19657 830 1 3 . 1 1 40 40 ASN H H 40 9.467 9.467 8.441 1.026 19657 831 1 3 . 1 1 41 41 ASN N N 41 120.183 120.183 116.204 3.979 19657 832 1 3 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.518 0.157 19657 833 1 3 . 1 1 41 41 ASN C C 41 171.964 171.964 175.001 -3.037 19657 834 1 3 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.617 -5.249 19657 835 1 3 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.717 -3.319 19657 836 1 3 . 1 1 41 41 ASN H H 41 7.729 7.729 7.915 -0.186 19657 837 1 3 . 1 1 42 42 LYS N N 42 119.700 119.700 117.910 1.790 19657 838 1 3 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.021 -0.666 19657 839 1 3 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.066 -0.516 19657 840 1 3 . 1 1 42 42 LYS CB C 42 30.627 30.627 35.475 -4.848 19657 841 1 3 . 1 1 42 42 LYS H H 42 8.496 8.496 8.192 0.304 19657 842 1 3 . 1 1 43 43 CYS N N 43 113.920 113.920 119.838 -5.918 19657 843 1 3 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.663 -0.319 19657 844 1 3 . 1 1 43 43 CYS C C 43 169.725 169.725 173.352 -3.627 19657 845 1 3 . 1 1 43 43 CYS CA C 43 50.891 50.891 55.516 -4.625 19657 846 1 3 . 1 1 43 43 CYS H H 43 7.542 7.542 9.320 -1.778 19657 847 1 3 . 1 1 44 44 THR N N 44 113.141 113.141 113.352 -0.211 19657 848 1 3 . 1 1 44 44 THR HA H 44 5.229 5.229 5.159 0.070 19657 849 1 3 . 1 1 44 44 THR C C 44 169.993 169.993 173.524 -3.531 19657 850 1 3 . 1 1 44 44 THR CA C 44 57.308 57.308 61.103 -3.795 19657 851 1 3 . 1 1 44 44 THR CB C 44 69.607 69.607 71.801 -2.194 19657 852 1 3 . 1 1 44 44 THR H H 44 8.987 8.987 8.623 0.364 19657 853 1 3 . 1 1 45 45 VAL N N 45 121.909 121.909 121.979 -0.070 19657 854 1 3 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.619 -0.132 19657 855 1 3 . 1 1 45 45 VAL C C 45 171.182 171.182 173.447 -2.265 19657 856 1 3 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.308 -3.239 19657 857 1 3 . 1 1 45 45 VAL CB C 45 33.384 33.384 34.989 -1.605 19657 858 1 3 . 1 1 45 45 VAL H H 45 8.571 8.571 8.089 0.482 19657 859 1 3 . 1 1 46 46 ASP N N 46 126.446 126.446 125.927 0.519 19657 860 1 3 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.421 -0.094 19657 861 1 3 . 1 1 46 46 ASP C C 46 175.630 175.630 176.631 -1.001 19657 862 1 3 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.179 -2.924 19657 863 1 3 . 1 1 46 46 ASP CB C 46 40.051 40.051 45.034 -4.983 19657 864 1 3 . 1 1 46 46 ASP H H 46 8.566 8.566 8.254 0.312 19657 865 1 3 . 1 1 47 47 THR N N 47 114.273 114.273 119.358 -5.085 19657 866 1 3 . 1 1 47 47 THR HA H 47 4.185 4.185 4.330 -0.145 19657 867 1 3 . 1 1 47 47 THR C C 47 173.322 173.322 175.595 -2.273 19657 868 1 3 . 1 1 47 47 THR CA C 47 60.559 60.559 64.202 -3.643 19657 869 1 3 . 1 1 47 47 THR CB C 47 66.582 66.582 69.399 -2.817 19657 870 1 3 . 1 1 47 47 THR H H 47 9.087 9.087 8.789 0.298 19657 871 1 3 . 1 1 48 48 TYR N N 48 123.848 123.848 121.413 2.435 19657 872 1 3 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.387 0.006 19657 873 1 3 . 1 1 48 48 TYR C C 48 173.776 173.776 177.120 -3.344 19657 874 1 3 . 1 1 48 48 TYR CA C 48 57.619 57.619 61.486 -3.867 19657 875 1 3 . 1 1 48 48 TYR CB C 48 35.817 35.817 39.184 -3.367 19657 876 1 3 . 1 1 48 48 TYR H H 48 8.818 8.818 8.442 0.376 19657 877 1 3 . 1 1 49 49 ASN N N 49 113.642 113.642 114.805 -1.163 19657 878 1 3 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.849 -0.384 19657 879 1 3 . 1 1 49 49 ASN C C 49 172.356 172.356 174.315 -1.959 19657 880 1 3 . 1 1 49 49 ASN CA C 49 49.231 49.231 53.372 -4.141 19657 881 1 3 . 1 1 49 49 ASN CB C 49 34.484 34.484 39.161 -4.677 19657 882 1 3 . 1 1 49 49 ASN H H 49 7.460 7.460 8.155 -0.695 19657 883 1 3 . 1 1 50 50 ASN N N 50 117.167 117.167 115.509 1.658 19657 884 1 3 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.430 -0.240 19657 885 1 3 . 1 1 50 50 ASN C C 50 170.581 170.581 173.490 -2.909 19657 886 1 3 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.367 -2.704 19657 887 1 3 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.309 -3.107 19657 888 1 3 . 1 1 50 50 ASN H H 50 7.886 7.886 7.890 -0.004 19657 889 1 3 . 1 1 51 51 ALA N N 51 121.083 121.083 120.648 0.435 19657 890 1 3 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.569 -0.137 19657 891 1 3 . 1 1 51 51 ALA C C 51 174.002 174.002 176.085 -2.083 19657 892 1 3 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.385 -1.782 19657 893 1 3 . 1 1 51 51 ALA CB C 51 17.688 17.688 20.450 -2.762 19657 894 1 3 . 1 1 51 51 ALA H H 51 7.843 7.843 7.594 0.249 19657 895 1 3 . 1 1 52 52 VAL N N 52 125.592 125.592 119.002 6.590 19657 896 1 3 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.196 -0.297 19657 897 1 3 . 1 1 52 52 VAL C C 52 171.449 171.449 174.740 -3.291 19657 898 1 3 . 1 1 52 52 VAL CA C 52 57.894 57.894 59.978 -2.084 19657 899 1 3 . 1 1 52 52 VAL CB C 52 32.369 32.369 34.143 -1.774 19657 900 1 3 . 1 1 52 52 VAL H H 52 8.241 8.241 8.363 -0.122 19657 901 1 3 . 1 1 53 53 ASP N N 53 125.731 125.731 125.469 0.262 19657 902 1 3 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.967 -0.044 19657 903 1 3 . 1 1 53 53 ASP C C 53 172.314 172.314 174.021 -1.707 19657 904 1 3 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.761 -3.430 19657 905 1 3 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.024 -3.262 19657 906 1 3 . 1 1 53 53 ASP H H 53 8.613 8.613 8.542 0.071 19657 907 1 3 . 1 1 54 54 CYS N N 54 122.864 122.864 123.582 -0.718 19657 908 1 3 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.636 -0.002 19657 909 1 3 . 1 1 54 54 CYS C C 54 167.690 167.690 173.435 -5.745 19657 910 1 3 . 1 1 54 54 CYS CA C 54 51.047 51.047 58.275 -7.228 19657 911 1 3 . 1 1 54 54 CYS CB C 54 41.549 41.549 29.780 11.769 19657 912 1 3 . 1 1 54 54 CYS H H 54 8.627 8.627 8.813 -0.186 19657 913 1 4 . 1 1 2 2 LYS N N 2 119.803 119.803 118.316 1.487 19657 914 1 4 . 1 1 2 2 LYS HA H 2 5.249 5.249 5.034 0.215 19657 915 1 4 . 1 1 2 2 LYS C C 2 172.912 172.912 175.249 -2.337 19657 916 1 4 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.043 -2.854 19657 917 1 4 . 1 1 2 2 LYS CB C 2 31.708 31.708 33.973 -2.265 19657 918 1 4 . 1 1 2 2 LYS H H 2 8.180 8.180 7.449 0.731 19657 919 1 4 . 1 1 3 3 TYR N N 3 122.744 122.744 119.460 3.284 19657 920 1 4 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.752 0.044 19657 921 1 4 . 1 1 3 3 TYR C C 3 172.523 172.523 174.820 -2.297 19657 922 1 4 . 1 1 3 3 TYR CA C 3 53.741 53.741 57.082 -3.341 19657 923 1 4 . 1 1 3 3 TYR CB C 3 39.690 39.690 41.836 -2.146 19657 924 1 4 . 1 1 3 3 TYR H H 3 8.951 8.951 8.689 0.262 19657 925 1 4 . 1 1 4 4 THR N N 4 117.010 117.010 120.329 -3.319 19657 926 1 4 . 1 1 4 4 THR HA H 4 5.012 5.012 4.624 0.388 19657 927 1 4 . 1 1 4 4 THR C C 4 171.489 171.489 174.357 -2.868 19657 928 1 4 . 1 1 4 4 THR CA C 4 58.808 58.808 61.834 -3.026 19657 929 1 4 . 1 1 4 4 THR CB C 4 67.837 67.837 69.641 -1.804 19657 930 1 4 . 1 1 4 4 THR H H 4 8.870 8.870 8.545 0.325 19657 931 1 4 . 1 1 5 5 GLY N N 5 115.340 115.340 112.845 2.495 19657 932 1 4 . 1 1 5 5 GLY C C 5 171.505 171.505 172.166 -0.661 19657 933 1 4 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.487 -2.421 19657 934 1 4 . 1 1 5 5 GLY H H 5 9.116 9.116 7.918 1.198 19657 935 1 4 . 1 1 6 6 LYS N N 6 121.120 121.120 119.386 1.734 19657 936 1 4 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.277 0.112 19657 937 1 4 . 1 1 6 6 LYS C C 6 174.162 174.162 175.754 -1.592 19657 938 1 4 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.820 -3.176 19657 939 1 4 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.072 -1.075 19657 940 1 4 . 1 1 6 6 LYS H H 6 8.408 8.408 8.213 0.195 19657 941 1 4 . 1 1 7 7 CYS N N 7 122.530 122.530 118.718 3.812 19657 942 1 4 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.656 0.676 19657 943 1 4 . 1 1 7 7 CYS C C 7 169.635 169.635 173.704 -4.069 19657 944 1 4 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.731 -5.321 19657 945 1 4 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.560 11.085 19657 946 1 4 . 1 1 7 7 CYS H H 7 9.795 9.795 8.671 1.124 19657 947 1 4 . 1 1 8 8 THR N N 8 112.909 112.909 113.849 -0.940 19657 948 1 4 . 1 1 8 8 THR HA H 8 4.690 4.690 4.821 -0.131 19657 949 1 4 . 1 1 8 8 THR C C 8 172.048 172.048 175.241 -3.193 19657 950 1 4 . 1 1 8 8 THR CA C 8 57.291 57.291 60.589 -3.298 19657 951 1 4 . 1 1 8 8 THR CB C 8 68.608 68.608 71.882 -3.274 19657 952 1 4 . 1 1 8 8 THR H H 8 8.630 8.630 8.065 0.565 19657 953 1 4 . 1 1 9 9 LYS N N 9 127.151 127.151 122.839 4.312 19657 954 1 4 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.313 -0.755 19657 955 1 4 . 1 1 9 9 LYS C C 9 176.697 176.697 176.726 -0.029 19657 956 1 4 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.191 -0.995 19657 957 1 4 . 1 1 9 9 LYS CB C 9 31.079 31.079 31.780 -0.701 19657 958 1 4 . 1 1 9 9 LYS H H 9 8.916 8.916 8.595 0.321 19657 959 1 4 . 1 1 10 10 SER N N 10 116.323 116.323 115.595 0.728 19657 960 1 4 . 1 1 10 10 SER C C 10 176.174 176.174 175.353 0.821 19657 961 1 4 . 1 1 10 10 SER CA C 10 59.045 59.045 60.439 -1.394 19657 962 1 4 . 1 1 10 10 SER H H 10 9.391 9.391 8.230 1.161 19657 963 1 4 . 1 1 11 11 LYS N N 11 116.908 116.908 120.329 -3.421 19657 964 1 4 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.414 -0.263 19657 965 1 4 . 1 1 11 11 LYS C C 11 173.027 173.027 176.079 -3.052 19657 966 1 4 . 1 1 11 11 LYS CA C 11 53.362 53.362 55.920 -2.558 19657 967 1 4 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.520 -1.970 19657 968 1 4 . 1 1 11 11 LYS H H 11 7.079 7.079 7.986 -0.907 19657 969 1 4 . 1 1 12 12 ASN N N 12 120.313 120.313 116.661 3.652 19657 970 1 4 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.462 0.123 19657 971 1 4 . 1 1 12 12 ASN C C 12 171.411 171.411 173.166 -1.755 19657 972 1 4 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.327 -3.453 19657 973 1 4 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.600 -3.117 19657 974 1 4 . 1 1 12 12 ASN H H 12 7.589 7.589 8.160 -0.571 19657 975 1 4 . 1 1 13 13 GLU N N 13 114.653 114.653 114.408 0.245 19657 976 1 4 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.921 -0.047 19657 977 1 4 . 1 1 13 13 GLU C C 13 170.929 170.929 174.641 -3.712 19657 978 1 4 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.237 -2.208 19657 979 1 4 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.260 0.513 19657 980 1 4 . 1 1 13 13 GLU H H 13 7.237 7.237 7.634 -0.397 19657 981 1 4 . 1 1 14 14 CYS N N 14 123.273 123.273 122.078 1.195 19657 982 1 4 . 1 1 14 14 CYS HA H 14 4.632 4.632 5.039 -0.407 19657 983 1 4 . 1 1 14 14 CYS C C 14 168.900 168.900 173.378 -4.478 19657 984 1 4 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.479 -6.365 19657 985 1 4 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.442 9.100 19657 986 1 4 . 1 1 14 14 CYS H H 14 9.637 9.637 9.103 0.534 19657 987 1 4 . 1 1 15 15 LYS N N 15 111.712 111.712 122.868 -11.156 19657 988 1 4 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.408 -0.480 19657 989 1 4 . 1 1 15 15 LYS C C 15 172.655 172.655 174.686 -2.031 19657 990 1 4 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.049 -3.614 19657 991 1 4 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.209 -2.736 19657 992 1 4 . 1 1 15 15 LYS H H 15 8.620 8.620 8.606 0.014 19657 993 1 4 . 1 1 16 16 TYR N N 16 126.641 126.641 119.890 6.751 19657 994 1 4 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.033 -0.128 19657 995 1 4 . 1 1 16 16 TYR C C 16 168.924 168.924 173.780 -4.856 19657 996 1 4 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.499 -3.406 19657 997 1 4 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.913 -3.434 19657 998 1 4 . 1 1 16 16 TYR H H 16 8.993 8.993 8.815 0.178 19657 999 1 4 . 1 1 17 17 LYS N N 17 120.730 120.730 121.852 -1.122 19657 1000 1 4 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.904 -0.490 19657 1001 1 4 . 1 1 17 17 LYS C C 17 173.386 173.386 176.442 -3.056 19657 1002 1 4 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.132 -3.438 19657 1003 1 4 . 1 1 17 17 LYS CB C 17 30.894 30.894 33.577 -2.683 19657 1004 1 4 . 1 1 17 17 LYS H H 17 8.414 8.414 8.722 -0.308 19657 1005 1 4 . 1 1 18 18 ASN N N 18 122.104 122.104 123.318 -1.214 19657 1006 1 4 . 1 1 18 18 ASN HA H 18 4.096 4.096 3.938 0.158 19657 1007 1 4 . 1 1 18 18 ASN C C 18 173.990 173.990 176.759 -2.769 19657 1008 1 4 . 1 1 18 18 ASN CA C 18 48.158 48.158 52.167 -4.009 19657 1009 1 4 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.359 -4.216 19657 1010 1 4 . 1 1 18 18 ASN H H 18 7.729 7.729 7.917 -0.188 19657 1011 1 4 . 1 1 19 19 ASP N N 19 117.316 117.316 118.726 -1.410 19657 1012 1 4 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.411 -0.038 19657 1013 1 4 . 1 1 19 19 ASP C C 19 173.929 173.929 176.627 -2.698 19657 1014 1 4 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.736 -2.471 19657 1015 1 4 . 1 1 19 19 ASP CB C 19 37.359 37.359 39.979 -2.620 19657 1016 1 4 . 1 1 19 19 ASP H H 19 8.231 8.231 8.530 -0.299 19657 1017 1 4 . 1 1 20 20 ALA N N 20 120.814 120.814 121.373 -0.559 19657 1018 1 4 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.212 0.183 19657 1019 1 4 . 1 1 20 20 ALA C C 20 174.854 174.854 178.428 -3.574 19657 1020 1 4 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.315 -3.550 19657 1021 1 4 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.222 -3.209 19657 1022 1 4 . 1 1 20 20 ALA H H 20 7.413 7.413 8.519 -1.106 19657 1023 1 4 . 1 1 21 21 GLY N N 21 126.585 126.585 105.267 21.318 19657 1024 1 4 . 1 1 21 21 GLY C C 21 171.015 171.015 174.001 -2.986 19657 1025 1 4 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.050 -2.223 19657 1026 1 4 . 1 1 21 21 GLY H H 21 8.162 8.162 7.853 0.309 19657 1027 1 4 . 1 1 22 22 LYS N N 22 120.322 120.322 121.212 -0.890 19657 1028 1 4 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.316 0.001 19657 1029 1 4 . 1 1 22 22 LYS C C 22 174.076 174.076 176.088 -2.012 19657 1030 1 4 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.865 -4.429 19657 1031 1 4 . 1 1 22 22 LYS CB C 22 30.576 30.576 32.778 -2.201 19657 1032 1 4 . 1 1 22 22 LYS H H 22 7.676 7.676 7.747 -0.071 19657 1033 1 4 . 1 1 23 23 ASP N N 23 126.455 126.455 121.992 4.463 19657 1034 1 4 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.539 -0.277 19657 1035 1 4 . 1 1 23 23 ASP C C 23 172.391 172.391 175.769 -3.378 19657 1036 1 4 . 1 1 23 23 ASP CA C 23 52.973 52.973 53.823 -0.850 19657 1037 1 4 . 1 1 23 23 ASP CB C 23 38.123 38.123 40.532 -2.409 19657 1038 1 4 . 1 1 23 23 ASP H H 23 8.619 8.619 8.385 0.234 19657 1039 1 4 . 1 1 24 24 THR N N 24 122.762 122.762 118.890 3.872 19657 1040 1 4 . 1 1 24 24 THR HA H 24 4.009 4.009 4.459 -0.450 19657 1041 1 4 . 1 1 24 24 THR C C 24 167.562 167.562 172.890 -5.328 19657 1042 1 4 . 1 1 24 24 THR CA C 24 59.223 59.223 61.051 -1.828 19657 1043 1 4 . 1 1 24 24 THR CB C 24 67.985 67.985 71.044 -3.059 19657 1044 1 4 . 1 1 24 24 THR H H 24 8.773 8.773 8.472 0.301 19657 1045 1 4 . 1 1 25 25 PHE N N 25 122.224 122.224 122.921 -0.697 19657 1046 1 4 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.637 -0.255 19657 1047 1 4 . 1 1 25 25 PHE C C 25 172.781 172.781 174.029 -1.248 19657 1048 1 4 . 1 1 25 25 PHE CA C 25 53.597 53.597 54.897 -1.300 19657 1049 1 4 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.359 -2.114 19657 1050 1 4 . 1 1 25 25 PHE H H 25 8.314 8.314 7.804 0.510 19657 1051 1 4 . 1 1 26 26 ILE N N 26 123.050 123.050 122.500 0.550 19657 1052 1 4 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.634 -0.018 19657 1053 1 4 . 1 1 26 26 ILE C C 26 170.373 170.373 174.093 -3.720 19657 1054 1 4 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.608 -2.764 19657 1055 1 4 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.527 -3.052 19657 1056 1 4 . 1 1 26 26 ILE H H 26 9.093 9.093 9.116 -0.023 19657 1057 1 4 . 1 1 27 27 LYS N N 27 126.928 126.928 125.742 1.186 19657 1058 1 4 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.334 -0.143 19657 1059 1 4 . 1 1 27 27 LYS C C 27 174.551 174.551 175.859 -1.308 19657 1060 1 4 . 1 1 27 27 LYS CA C 27 55.166 55.166 56.895 -1.729 19657 1061 1 4 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.704 -3.124 19657 1062 1 4 . 1 1 27 27 LYS H H 27 8.309 8.309 8.425 -0.116 19657 1063 1 4 . 1 1 28 28 CYS N N 28 119.357 119.357 122.867 -3.510 19657 1064 1 4 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.845 -0.273 19657 1065 1 4 . 1 1 28 28 CYS C C 28 169.287 169.287 173.007 -3.720 19657 1066 1 4 . 1 1 28 28 CYS CA C 28 52.541 52.541 56.867 -4.326 19657 1067 1 4 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.648 9.939 19657 1068 1 4 . 1 1 28 28 CYS H H 28 8.414 8.414 8.648 -0.234 19657 1069 1 4 . 1 1 30 30 LYS N N 30 116.481 116.481 119.752 -3.271 19657 1070 1 4 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.346 -0.390 19657 1071 1 4 . 1 1 30 30 LYS C C 30 173.819 173.819 176.344 -2.525 19657 1072 1 4 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.460 -2.963 19657 1073 1 4 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.284 -2.194 19657 1074 1 4 . 1 1 30 30 LYS H H 30 8.004 8.004 8.494 -0.490 19657 1075 1 4 . 1 1 31 31 PHE N N 31 116.963 116.963 118.635 -1.672 19657 1076 1 4 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.533 -0.056 19657 1077 1 4 . 1 1 31 31 PHE C C 31 173.518 173.518 177.297 -3.779 19657 1078 1 4 . 1 1 31 31 PHE CA C 31 54.044 54.044 58.405 -4.361 19657 1079 1 4 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.259 -2.616 19657 1080 1 4 . 1 1 31 31 PHE H H 31 6.424 6.424 7.916 -1.492 19657 1081 1 4 . 1 1 32 32 ASP N N 32 121.612 121.612 122.511 -0.899 19657 1082 1 4 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.414 -0.278 19657 1083 1 4 . 1 1 32 32 ASP C C 32 173.688 173.688 176.640 -2.952 19657 1084 1 4 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.642 -1.849 19657 1085 1 4 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.891 -2.999 19657 1086 1 4 . 1 1 32 32 ASP H H 32 8.800 8.800 8.836 -0.036 19657 1087 1 4 . 1 1 33 33 ASN N N 33 113.168 113.168 117.035 -3.867 19657 1088 1 4 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.639 -0.076 19657 1089 1 4 . 1 1 33 33 ASN C C 33 172.656 172.656 175.469 -2.813 19657 1090 1 4 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.360 -2.998 19657 1091 1 4 . 1 1 33 33 ASN CB C 33 34.754 34.754 38.751 -3.997 19657 1092 1 4 . 1 1 33 33 ASN H H 33 8.455 8.455 8.581 -0.126 19657 1093 1 4 . 1 1 34 34 LYS N N 34 117.622 117.622 118.161 -0.539 19657 1094 1 4 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.608 0.256 19657 1095 1 4 . 1 1 34 34 LYS C C 34 171.666 171.666 173.934 -2.268 19657 1096 1 4 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.314 -4.166 19657 1097 1 4 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.233 -2.420 19657 1098 1 4 . 1 1 34 34 LYS H H 34 7.676 7.676 7.793 -0.117 19657 1099 1 4 . 1 1 35 35 LYS N N 35 116.880 116.880 117.989 -1.109 19657 1100 1 4 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.719 -0.220 19657 1101 1 4 . 1 1 35 35 LYS C C 35 172.133 172.133 174.605 -2.472 19657 1102 1 4 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.949 -2.793 19657 1103 1 4 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.441 -4.666 19657 1104 1 4 . 1 1 35 35 LYS H H 35 6.927 6.927 8.057 -1.130 19657 1105 1 4 . 1 1 36 36 CYS N N 36 117.678 117.678 120.157 -2.479 19657 1106 1 4 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.820 -0.133 19657 1107 1 4 . 1 1 36 36 CYS C C 36 174.909 174.909 176.588 -1.679 19657 1108 1 4 . 1 1 36 36 CYS CA C 36 53.356 53.356 59.206 -5.850 19657 1109 1 4 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.546 12.157 19657 1110 1 4 . 1 1 36 36 CYS H H 36 8.572 8.572 8.678 -0.106 19657 1111 1 4 . 1 1 37 37 THR N N 37 121.872 121.872 116.680 5.192 19657 1112 1 4 . 1 1 37 37 THR HA H 37 4.219 4.219 4.387 -0.168 19657 1113 1 4 . 1 1 37 37 THR C C 37 172.565 172.565 174.140 -1.575 19657 1114 1 4 . 1 1 37 37 THR CA C 37 60.478 60.478 63.124 -2.646 19657 1115 1 4 . 1 1 37 37 THR CB C 37 68.235 68.235 69.316 -1.081 19657 1116 1 4 . 1 1 37 37 THR H H 37 10.105 10.105 8.772 1.333 19657 1117 1 4 . 1 1 38 38 LYS N N 38 122.020 122.020 119.969 2.051 19657 1118 1 4 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.559 -0.404 19657 1119 1 4 . 1 1 38 38 LYS C C 38 170.713 170.713 174.641 -3.928 19657 1120 1 4 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.301 -0.436 19657 1121 1 4 . 1 1 38 38 LYS CB C 38 32.499 32.499 35.925 -3.426 19657 1122 1 4 . 1 1 38 38 LYS H H 38 7.258 7.258 7.534 -0.276 19657 1123 1 4 . 1 1 39 39 ASP N N 39 124.776 124.776 119.160 5.616 19657 1124 1 4 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.546 0.031 19657 1125 1 4 . 1 1 39 39 ASP C C 39 175.068 175.068 176.534 -1.466 19657 1126 1 4 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.755 -0.722 19657 1127 1 4 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.471 -4.017 19657 1128 1 4 . 1 1 39 39 ASP H H 39 8.783 8.783 8.326 0.457 19657 1129 1 4 . 1 1 40 40 ASN N N 40 114.764 114.764 115.853 -1.089 19657 1130 1 4 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.295 -0.033 19657 1131 1 4 . 1 1 40 40 ASN C C 40 171.530 171.530 174.792 -3.262 19657 1132 1 4 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.328 -1.353 19657 1133 1 4 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.379 -4.199 19657 1134 1 4 . 1 1 40 40 ASN H H 40 9.467 9.467 8.496 0.971 19657 1135 1 4 . 1 1 41 41 ASN N N 41 120.183 120.183 116.245 3.938 19657 1136 1 4 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.558 0.117 19657 1137 1 4 . 1 1 41 41 ASN C C 41 171.964 171.964 174.984 -3.020 19657 1138 1 4 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.749 -5.381 19657 1139 1 4 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.292 -2.894 19657 1140 1 4 . 1 1 41 41 ASN H H 41 7.729 7.729 7.910 -0.181 19657 1141 1 4 . 1 1 42 42 LYS N N 42 119.700 119.700 118.012 1.688 19657 1142 1 4 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.231 -0.876 19657 1143 1 4 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.275 -0.725 19657 1144 1 4 . 1 1 42 42 LYS CB C 42 30.627 30.627 36.125 -5.498 19657 1145 1 4 . 1 1 42 42 LYS H H 42 8.496 8.496 8.648 -0.152 19657 1146 1 4 . 1 1 43 43 CYS N N 43 113.920 113.920 118.574 -4.654 19657 1147 1 4 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.144 0.200 19657 1148 1 4 . 1 1 43 43 CYS C C 43 169.725 169.725 173.903 -4.178 19657 1149 1 4 . 1 1 43 43 CYS CA C 43 50.891 50.891 57.002 -6.112 19657 1150 1 4 . 1 1 43 43 CYS H H 43 7.542 7.542 9.239 -1.697 19657 1151 1 4 . 1 1 44 44 THR N N 44 113.141 113.141 115.163 -2.022 19657 1152 1 4 . 1 1 44 44 THR HA H 44 5.229 5.229 5.021 0.208 19657 1153 1 4 . 1 1 44 44 THR C C 44 169.993 169.993 173.242 -3.249 19657 1154 1 4 . 1 1 44 44 THR CA C 44 57.308 57.308 61.411 -4.103 19657 1155 1 4 . 1 1 44 44 THR CB C 44 69.607 69.607 71.442 -1.835 19657 1156 1 4 . 1 1 44 44 THR H H 44 8.987 8.987 9.089 -0.102 19657 1157 1 4 . 1 1 45 45 VAL N N 45 121.909 121.909 123.553 -1.644 19657 1158 1 4 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.575 -0.088 19657 1159 1 4 . 1 1 45 45 VAL C C 45 171.182 171.182 173.577 -2.395 19657 1160 1 4 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.785 -3.716 19657 1161 1 4 . 1 1 45 45 VAL CB C 45 33.384 33.384 35.361 -1.977 19657 1162 1 4 . 1 1 45 45 VAL H H 45 8.571 8.571 8.134 0.437 19657 1163 1 4 . 1 1 46 46 ASP N N 46 126.446 126.446 126.196 0.250 19657 1164 1 4 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.391 -0.064 19657 1165 1 4 . 1 1 46 46 ASP C C 46 175.630 175.630 176.680 -1.050 19657 1166 1 4 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.735 -3.480 19657 1167 1 4 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.996 -4.945 19657 1168 1 4 . 1 1 46 46 ASP H H 46 8.566 8.566 8.233 0.333 19657 1169 1 4 . 1 1 47 47 THR N N 47 114.273 114.273 117.640 -3.367 19657 1170 1 4 . 1 1 47 47 THR HA H 47 4.185 4.185 4.384 -0.199 19657 1171 1 4 . 1 1 47 47 THR C C 47 173.322 173.322 175.386 -2.064 19657 1172 1 4 . 1 1 47 47 THR CA C 47 60.559 60.559 63.996 -3.437 19657 1173 1 4 . 1 1 47 47 THR CB C 47 66.582 66.582 69.423 -2.841 19657 1174 1 4 . 1 1 47 47 THR H H 47 9.087 9.087 8.392 0.695 19657 1175 1 4 . 1 1 48 48 TYR N N 48 123.848 123.848 120.401 3.447 19657 1176 1 4 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.341 0.052 19657 1177 1 4 . 1 1 48 48 TYR C C 48 173.776 173.776 176.737 -2.961 19657 1178 1 4 . 1 1 48 48 TYR CA C 48 57.619 57.619 61.206 -3.587 19657 1179 1 4 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.916 -3.099 19657 1180 1 4 . 1 1 48 48 TYR H H 48 8.818 8.818 7.946 0.872 19657 1181 1 4 . 1 1 49 49 ASN N N 49 113.642 113.642 114.704 -1.062 19657 1182 1 4 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.747 -0.282 19657 1183 1 4 . 1 1 49 49 ASN C C 49 172.356 172.356 174.663 -2.307 19657 1184 1 4 . 1 1 49 49 ASN CA C 49 49.231 49.231 52.898 -3.667 19657 1185 1 4 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.497 -4.013 19657 1186 1 4 . 1 1 49 49 ASN H H 49 7.460 7.460 8.178 -0.718 19657 1187 1 4 . 1 1 50 50 ASN N N 50 117.167 117.167 116.989 0.178 19657 1188 1 4 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.452 -0.262 19657 1189 1 4 . 1 1 50 50 ASN C C 50 170.581 170.581 173.489 -2.908 19657 1190 1 4 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.309 -2.646 19657 1191 1 4 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.369 -3.167 19657 1192 1 4 . 1 1 50 50 ASN H H 50 7.886 7.886 7.909 -0.023 19657 1193 1 4 . 1 1 51 51 ALA N N 51 121.083 121.083 120.511 0.572 19657 1194 1 4 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.489 -0.057 19657 1195 1 4 . 1 1 51 51 ALA C C 51 174.002 174.002 175.679 -1.677 19657 1196 1 4 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.475 -1.872 19657 1197 1 4 . 1 1 51 51 ALA CB C 51 17.688 17.688 20.284 -2.596 19657 1198 1 4 . 1 1 51 51 ALA H H 51 7.843 7.843 7.504 0.339 19657 1199 1 4 . 1 1 52 52 VAL N N 52 125.592 125.592 124.294 1.298 19657 1200 1 4 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.083 -0.184 19657 1201 1 4 . 1 1 52 52 VAL C C 52 171.449 171.449 174.661 -3.212 19657 1202 1 4 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.513 -2.619 19657 1203 1 4 . 1 1 52 52 VAL CB C 52 32.369 32.369 34.958 -2.589 19657 1204 1 4 . 1 1 52 52 VAL H H 52 8.241 8.241 8.408 -0.167 19657 1205 1 4 . 1 1 53 53 ASP N N 53 125.731 125.731 129.082 -3.351 19657 1206 1 4 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.948 -0.025 19657 1207 1 4 . 1 1 53 53 ASP C C 53 172.314 172.314 174.623 -2.309 19657 1208 1 4 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.496 -3.165 19657 1209 1 4 . 1 1 53 53 ASP CB C 53 40.762 40.762 45.238 -4.476 19657 1210 1 4 . 1 1 53 53 ASP H H 53 8.613 8.613 8.886 -0.273 19657 1211 1 4 . 1 1 54 54 CYS N N 54 122.864 122.864 121.492 1.372 19657 1212 1 4 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.634 -0.000 19657 1213 1 4 . 1 1 54 54 CYS C C 54 167.690 167.690 174.436 -6.746 19657 1214 1 4 . 1 1 54 54 CYS CA C 54 51.047 51.047 58.398 -7.351 19657 1215 1 4 . 1 1 54 54 CYS CB C 54 41.549 41.549 30.362 11.187 19657 1216 1 4 . 1 1 54 54 CYS H H 54 8.627 8.627 8.777 -0.150 19657 1217 1 5 . 1 1 2 2 LYS N N 2 119.803 119.803 119.962 -0.159 19657 1218 1 5 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.367 0.882 19657 1219 1 5 . 1 1 2 2 LYS C C 2 172.912 172.912 175.295 -2.383 19657 1220 1 5 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.500 -3.311 19657 1221 1 5 . 1 1 2 2 LYS CB C 2 31.708 31.708 32.550 -0.842 19657 1222 1 5 . 1 1 2 2 LYS H H 2 8.180 8.180 7.585 0.595 19657 1223 1 5 . 1 1 3 3 TYR N N 3 122.744 122.744 125.426 -2.682 19657 1224 1 5 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.764 0.032 19657 1225 1 5 . 1 1 3 3 TYR C C 3 172.523 172.523 175.134 -2.611 19657 1226 1 5 . 1 1 3 3 TYR CA C 3 53.741 53.741 56.677 -2.936 19657 1227 1 5 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.456 -0.766 19657 1228 1 5 . 1 1 3 3 TYR H H 3 8.951 8.951 8.110 0.841 19657 1229 1 5 . 1 1 4 4 THR N N 4 117.010 117.010 119.041 -2.031 19657 1230 1 5 . 1 1 4 4 THR HA H 4 5.012 5.012 4.768 0.244 19657 1231 1 5 . 1 1 4 4 THR C C 4 171.489 171.489 174.028 -2.539 19657 1232 1 5 . 1 1 4 4 THR CA C 4 58.808 58.808 60.311 -1.503 19657 1233 1 5 . 1 1 4 4 THR CB C 4 67.837 67.837 69.844 -2.007 19657 1234 1 5 . 1 1 4 4 THR H H 4 8.870 8.870 8.716 0.154 19657 1235 1 5 . 1 1 5 5 GLY N N 5 115.340 115.340 114.302 1.038 19657 1236 1 5 . 1 1 5 5 GLY C C 5 171.505 171.505 172.115 -0.610 19657 1237 1 5 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.631 -2.565 19657 1238 1 5 . 1 1 5 5 GLY H H 5 9.116 9.116 8.021 1.095 19657 1239 1 5 . 1 1 6 6 LYS N N 6 121.120 121.120 119.349 1.771 19657 1240 1 5 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.156 0.233 19657 1241 1 5 . 1 1 6 6 LYS C C 6 174.162 174.162 175.700 -1.538 19657 1242 1 5 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.517 -2.873 19657 1243 1 5 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.344 -1.347 19657 1244 1 5 . 1 1 6 6 LYS H H 6 8.408 8.408 8.106 0.302 19657 1245 1 5 . 1 1 7 7 CYS N N 7 122.530 122.530 120.037 2.493 19657 1246 1 5 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.785 0.547 19657 1247 1 5 . 1 1 7 7 CYS C C 7 169.635 169.635 174.040 -4.405 19657 1248 1 5 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.799 -5.389 19657 1249 1 5 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.442 11.203 19657 1250 1 5 . 1 1 7 7 CYS H H 7 9.795 9.795 7.994 1.801 19657 1251 1 5 . 1 1 8 8 THR N N 8 112.909 112.909 113.591 -0.682 19657 1252 1 5 . 1 1 8 8 THR HA H 8 4.690 4.690 4.714 -0.024 19657 1253 1 5 . 1 1 8 8 THR C C 8 172.048 172.048 174.936 -2.888 19657 1254 1 5 . 1 1 8 8 THR CA C 8 57.291 57.291 60.099 -2.808 19657 1255 1 5 . 1 1 8 8 THR CB C 8 68.608 68.608 71.347 -2.738 19657 1256 1 5 . 1 1 8 8 THR H H 8 8.630 8.630 8.008 0.622 19657 1257 1 5 . 1 1 9 9 LYS N N 9 127.151 127.151 123.939 3.212 19657 1258 1 5 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.105 -0.547 19657 1259 1 5 . 1 1 9 9 LYS C C 9 176.697 176.697 176.933 -0.236 19657 1260 1 5 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.427 -1.231 19657 1261 1 5 . 1 1 9 9 LYS CB C 9 31.079 31.079 32.271 -1.192 19657 1262 1 5 . 1 1 9 9 LYS H H 9 8.916 8.916 8.743 0.173 19657 1263 1 5 . 1 1 10 10 SER N N 10 116.323 116.323 113.531 2.792 19657 1264 1 5 . 1 1 10 10 SER C C 10 176.174 176.174 175.587 0.587 19657 1265 1 5 . 1 1 10 10 SER CA C 10 59.045 59.045 60.145 -1.100 19657 1266 1 5 . 1 1 10 10 SER H H 10 9.391 9.391 7.972 1.419 19657 1267 1 5 . 1 1 11 11 LYS N N 11 116.908 116.908 120.252 -3.344 19657 1268 1 5 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.291 -0.140 19657 1269 1 5 . 1 1 11 11 LYS C C 11 173.027 173.027 176.589 -3.562 19657 1270 1 5 . 1 1 11 11 LYS CA C 11 53.362 53.362 55.550 -2.188 19657 1271 1 5 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.113 -1.563 19657 1272 1 5 . 1 1 11 11 LYS H H 11 7.079 7.079 7.923 -0.844 19657 1273 1 5 . 1 1 12 12 ASN N N 12 120.313 120.313 117.984 2.329 19657 1274 1 5 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.483 0.102 19657 1275 1 5 . 1 1 12 12 ASN C C 12 171.411 171.411 173.246 -1.835 19657 1276 1 5 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.364 -3.490 19657 1277 1 5 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.343 -2.860 19657 1278 1 5 . 1 1 12 12 ASN H H 12 7.589 7.589 8.075 -0.486 19657 1279 1 5 . 1 1 13 13 GLU N N 13 114.653 114.653 114.827 -0.174 19657 1280 1 5 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.868 0.006 19657 1281 1 5 . 1 1 13 13 GLU C C 13 170.929 170.929 174.675 -3.746 19657 1282 1 5 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.334 -2.305 19657 1283 1 5 . 1 1 13 13 GLU CB C 13 33.773 33.773 32.950 0.823 19657 1284 1 5 . 1 1 13 13 GLU H H 13 7.237 7.237 7.736 -0.499 19657 1285 1 5 . 1 1 14 14 CYS N N 14 123.273 123.273 122.940 0.333 19657 1286 1 5 . 1 1 14 14 CYS HA H 14 4.632 4.632 4.857 -0.225 19657 1287 1 5 . 1 1 14 14 CYS C C 14 168.900 168.900 173.850 -4.950 19657 1288 1 5 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.708 -6.593 19657 1289 1 5 . 1 1 14 14 CYS CB C 14 39.542 39.542 29.691 9.851 19657 1290 1 5 . 1 1 14 14 CYS H H 14 9.637 9.637 9.121 0.515 19657 1291 1 5 . 1 1 15 15 LYS N N 15 111.712 111.712 125.460 -13.748 19657 1292 1 5 . 1 1 15 15 LYS HA H 15 4.928 4.928 4.784 0.144 19657 1293 1 5 . 1 1 15 15 LYS C C 15 172.655 172.655 175.116 -2.461 19657 1294 1 5 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.241 -3.806 19657 1295 1 5 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.425 -2.953 19657 1296 1 5 . 1 1 15 15 LYS H H 15 8.620 8.620 8.896 -0.276 19657 1297 1 5 . 1 1 16 16 TYR N N 16 126.641 126.641 120.645 5.996 19657 1298 1 5 . 1 1 16 16 TYR HA H 16 4.905 4.905 4.964 -0.059 19657 1299 1 5 . 1 1 16 16 TYR C C 16 168.924 168.924 173.234 -4.310 19657 1300 1 5 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.685 -3.592 19657 1301 1 5 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.434 -2.955 19657 1302 1 5 . 1 1 16 16 TYR H H 16 8.993 8.993 8.698 0.295 19657 1303 1 5 . 1 1 17 17 LYS N N 17 120.730 120.730 120.740 -0.010 19657 1304 1 5 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.707 -0.293 19657 1305 1 5 . 1 1 17 17 LYS C C 17 173.386 173.386 175.698 -2.312 19657 1306 1 5 . 1 1 17 17 LYS CA C 17 51.694 51.694 54.606 -2.912 19657 1307 1 5 . 1 1 17 17 LYS CB C 17 30.894 30.894 35.250 -4.356 19657 1308 1 5 . 1 1 17 17 LYS H H 17 8.414 8.414 8.597 -0.183 19657 1309 1 5 . 1 1 18 18 ASN N N 18 122.104 122.104 121.081 1.023 19657 1310 1 5 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.351 -0.255 19657 1311 1 5 . 1 1 18 18 ASN C C 18 173.990 173.990 175.846 -1.856 19657 1312 1 5 . 1 1 18 18 ASN CA C 18 48.158 48.158 51.808 -3.650 19657 1313 1 5 . 1 1 18 18 ASN CB C 18 35.143 35.143 38.955 -3.812 19657 1314 1 5 . 1 1 18 18 ASN H H 18 7.729 7.729 8.104 -0.375 19657 1315 1 5 . 1 1 19 19 ASP N N 19 117.316 117.316 119.561 -2.245 19657 1316 1 5 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.554 -0.181 19657 1317 1 5 . 1 1 19 19 ASP C C 19 173.929 173.929 176.546 -2.617 19657 1318 1 5 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.351 -2.086 19657 1319 1 5 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.718 -3.359 19657 1320 1 5 . 1 1 19 19 ASP H H 19 8.231 8.231 8.797 -0.566 19657 1321 1 5 . 1 1 20 20 ALA N N 20 120.814 120.814 120.125 0.689 19657 1322 1 5 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.435 -0.040 19657 1323 1 5 . 1 1 20 20 ALA C C 20 174.854 174.854 178.382 -3.528 19657 1324 1 5 . 1 1 20 20 ALA CA C 20 48.765 48.765 51.970 -3.205 19657 1325 1 5 . 1 1 20 20 ALA CB C 20 16.013 16.013 18.862 -2.849 19657 1326 1 5 . 1 1 20 20 ALA H H 20 7.413 7.413 7.945 -0.532 19657 1327 1 5 . 1 1 21 21 GLY N N 21 126.585 126.585 106.934 19.651 19657 1328 1 5 . 1 1 21 21 GLY C C 21 171.015 171.015 173.787 -2.772 19657 1329 1 5 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.350 -2.523 19657 1330 1 5 . 1 1 21 21 GLY H H 21 8.162 8.162 7.686 0.476 19657 1331 1 5 . 1 1 22 22 LYS N N 22 120.322 120.322 121.215 -0.893 19657 1332 1 5 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.327 -0.010 19657 1333 1 5 . 1 1 22 22 LYS C C 22 174.076 174.076 175.746 -1.670 19657 1334 1 5 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.563 -4.128 19657 1335 1 5 . 1 1 22 22 LYS CB C 22 30.576 30.576 32.859 -2.283 19657 1336 1 5 . 1 1 22 22 LYS H H 22 7.676 7.676 7.719 -0.043 19657 1337 1 5 . 1 1 23 23 ASP N N 23 126.455 126.455 124.578 1.877 19657 1338 1 5 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.468 -0.206 19657 1339 1 5 . 1 1 23 23 ASP C C 23 172.391 172.391 175.980 -3.589 19657 1340 1 5 . 1 1 23 23 ASP CA C 23 52.973 52.973 55.038 -2.065 19657 1341 1 5 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.026 -2.903 19657 1342 1 5 . 1 1 23 23 ASP H H 23 8.619 8.619 8.633 -0.014 19657 1343 1 5 . 1 1 24 24 THR N N 24 122.762 122.762 121.278 1.484 19657 1344 1 5 . 1 1 24 24 THR HA H 24 4.009 4.009 4.293 -0.284 19657 1345 1 5 . 1 1 24 24 THR C C 24 167.562 167.562 172.715 -5.153 19657 1346 1 5 . 1 1 24 24 THR CA C 24 59.223 59.223 61.140 -1.917 19657 1347 1 5 . 1 1 24 24 THR CB C 24 67.985 67.985 69.832 -1.847 19657 1348 1 5 . 1 1 24 24 THR H H 24 8.773 8.773 8.775 -0.002 19657 1349 1 5 . 1 1 25 25 PHE N N 25 122.224 122.224 124.759 -2.535 19657 1350 1 5 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.503 -0.121 19657 1351 1 5 . 1 1 25 25 PHE C C 25 172.781 172.781 174.163 -1.382 19657 1352 1 5 . 1 1 25 25 PHE CA C 25 53.597 53.597 54.884 -1.287 19657 1353 1 5 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.523 -2.278 19657 1354 1 5 . 1 1 25 25 PHE H H 25 8.314 8.314 7.636 0.678 19657 1355 1 5 . 1 1 26 26 ILE N N 26 123.050 123.050 121.666 1.384 19657 1356 1 5 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.660 -0.044 19657 1357 1 5 . 1 1 26 26 ILE C C 26 170.373 170.373 173.956 -3.583 19657 1358 1 5 . 1 1 26 26 ILE CA C 26 56.844 56.844 58.799 -1.955 19657 1359 1 5 . 1 1 26 26 ILE CB C 26 39.475 39.475 43.116 -3.641 19657 1360 1 5 . 1 1 26 26 ILE H H 26 9.093 9.093 8.973 0.120 19657 1361 1 5 . 1 1 27 27 LYS N N 27 126.928 126.928 126.524 0.404 19657 1362 1 5 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.678 -0.487 19657 1363 1 5 . 1 1 27 27 LYS C C 27 174.551 174.551 175.805 -1.254 19657 1364 1 5 . 1 1 27 27 LYS CA C 27 55.166 55.166 54.604 0.562 19657 1365 1 5 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.465 -2.885 19657 1366 1 5 . 1 1 27 27 LYS H H 27 8.309 8.309 8.335 -0.026 19657 1367 1 5 . 1 1 28 28 CYS N N 28 119.357 119.357 122.964 -3.607 19657 1368 1 5 . 1 1 28 28 CYS HA H 28 4.572 4.572 5.024 -0.452 19657 1369 1 5 . 1 1 28 28 CYS C C 28 169.287 169.287 173.054 -3.767 19657 1370 1 5 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.531 -4.990 19657 1371 1 5 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.561 10.026 19657 1372 1 5 . 1 1 28 28 CYS H H 28 8.414 8.414 8.612 -0.198 19657 1373 1 5 . 1 1 30 30 LYS N N 30 116.481 116.481 118.397 -1.916 19657 1374 1 5 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.237 -0.281 19657 1375 1 5 . 1 1 30 30 LYS C C 30 173.819 173.819 175.992 -2.173 19657 1376 1 5 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.246 -2.749 19657 1377 1 5 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.162 -2.072 19657 1378 1 5 . 1 1 30 30 LYS H H 30 8.004 8.004 8.365 -0.361 19657 1379 1 5 . 1 1 31 31 PHE N N 31 116.963 116.963 118.445 -1.482 19657 1380 1 5 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.525 -0.048 19657 1381 1 5 . 1 1 31 31 PHE C C 31 173.518 173.518 176.920 -3.402 19657 1382 1 5 . 1 1 31 31 PHE CA C 31 54.044 54.044 57.381 -3.337 19657 1383 1 5 . 1 1 31 31 PHE CB C 31 37.643 37.643 39.888 -2.245 19657 1384 1 5 . 1 1 31 31 PHE H H 31 6.424 6.424 7.648 -1.224 19657 1385 1 5 . 1 1 32 32 ASP N N 32 121.612 121.612 120.463 1.149 19657 1386 1 5 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.518 -0.382 19657 1387 1 5 . 1 1 32 32 ASP C C 32 173.688 173.688 177.354 -3.666 19657 1388 1 5 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.401 -1.608 19657 1389 1 5 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.615 -2.723 19657 1390 1 5 . 1 1 32 32 ASP H H 32 8.800 8.800 8.917 -0.117 19657 1391 1 5 . 1 1 33 33 ASN N N 33 113.168 113.168 117.159 -3.991 19657 1392 1 5 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.539 0.024 19657 1393 1 5 . 1 1 33 33 ASN C C 33 172.656 172.656 175.194 -2.538 19657 1394 1 5 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.658 -3.296 19657 1395 1 5 . 1 1 33 33 ASN CB C 33 34.754 34.754 39.065 -4.311 19657 1396 1 5 . 1 1 33 33 ASN H H 33 8.455 8.455 8.274 0.181 19657 1397 1 5 . 1 1 34 34 LYS N N 34 117.622 117.622 118.449 -0.827 19657 1398 1 5 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.480 0.384 19657 1399 1 5 . 1 1 34 34 LYS C C 34 171.666 171.666 173.897 -2.231 19657 1400 1 5 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.140 -3.992 19657 1401 1 5 . 1 1 34 34 LYS CB C 34 32.813 32.813 34.620 -1.808 19657 1402 1 5 . 1 1 34 34 LYS H H 34 7.676 7.676 7.617 0.059 19657 1403 1 5 . 1 1 35 35 LYS N N 35 116.880 116.880 119.028 -2.148 19657 1404 1 5 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.641 -0.142 19657 1405 1 5 . 1 1 35 35 LYS C C 35 172.133 172.133 174.476 -2.343 19657 1406 1 5 . 1 1 35 35 LYS CA C 35 52.155 52.155 55.033 -2.878 19657 1407 1 5 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.309 -4.534 19657 1408 1 5 . 1 1 35 35 LYS H H 35 6.927 6.927 7.819 -0.892 19657 1409 1 5 . 1 1 36 36 CYS N N 36 117.678 117.678 120.471 -2.793 19657 1410 1 5 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.775 -0.088 19657 1411 1 5 . 1 1 36 36 CYS C C 36 174.909 174.909 176.161 -1.252 19657 1412 1 5 . 1 1 36 36 CYS CA C 36 53.356 53.356 58.763 -5.407 19657 1413 1 5 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.674 12.029 19657 1414 1 5 . 1 1 36 36 CYS H H 36 8.572 8.572 8.739 -0.167 19657 1415 1 5 . 1 1 37 37 THR N N 37 121.872 121.872 118.573 3.299 19657 1416 1 5 . 1 1 37 37 THR HA H 37 4.219 4.219 4.299 -0.080 19657 1417 1 5 . 1 1 37 37 THR C C 37 172.565 172.565 174.554 -1.989 19657 1418 1 5 . 1 1 37 37 THR CA C 37 60.478 60.478 63.069 -2.591 19657 1419 1 5 . 1 1 37 37 THR CB C 37 68.235 68.235 69.445 -1.210 19657 1420 1 5 . 1 1 37 37 THR H H 37 10.105 10.105 8.477 1.628 19657 1421 1 5 . 1 1 38 38 LYS N N 38 122.020 122.020 120.264 1.756 19657 1422 1 5 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.578 -0.423 19657 1423 1 5 . 1 1 38 38 LYS C C 38 170.713 170.713 174.510 -3.797 19657 1424 1 5 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.577 -0.712 19657 1425 1 5 . 1 1 38 38 LYS CB C 38 32.499 32.499 36.148 -3.649 19657 1426 1 5 . 1 1 38 38 LYS H H 38 7.258 7.258 7.553 -0.295 19657 1427 1 5 . 1 1 39 39 ASP N N 39 124.776 124.776 119.410 5.366 19657 1428 1 5 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.527 0.050 19657 1429 1 5 . 1 1 39 39 ASP C C 39 175.068 175.068 176.716 -1.648 19657 1430 1 5 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.766 -0.733 19657 1431 1 5 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.457 -4.003 19657 1432 1 5 . 1 1 39 39 ASP H H 39 8.783 8.783 8.353 0.430 19657 1433 1 5 . 1 1 40 40 ASN N N 40 114.764 114.764 115.512 -0.748 19657 1434 1 5 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.264 -0.002 19657 1435 1 5 . 1 1 40 40 ASN C C 40 171.530 171.530 174.839 -3.309 19657 1436 1 5 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.399 -1.424 19657 1437 1 5 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.406 -4.226 19657 1438 1 5 . 1 1 40 40 ASN H H 40 9.467 9.467 8.416 1.051 19657 1439 1 5 . 1 1 41 41 ASN N N 41 120.183 120.183 116.335 3.848 19657 1440 1 5 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.514 0.161 19657 1441 1 5 . 1 1 41 41 ASN C C 41 171.964 171.964 175.041 -3.077 19657 1442 1 5 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.593 -5.225 19657 1443 1 5 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.677 -3.279 19657 1444 1 5 . 1 1 41 41 ASN H H 41 7.729 7.729 7.702 0.027 19657 1445 1 5 . 1 1 42 42 LYS N N 42 119.700 119.700 117.433 2.267 19657 1446 1 5 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.168 -0.813 19657 1447 1 5 . 1 1 42 42 LYS CA C 42 54.550 54.550 54.844 -0.294 19657 1448 1 5 . 1 1 42 42 LYS CB C 42 30.627 30.627 36.009 -5.382 19657 1449 1 5 . 1 1 42 42 LYS H H 42 8.496 8.496 8.187 0.309 19657 1450 1 5 . 1 1 43 43 CYS N N 43 113.920 113.920 118.104 -4.184 19657 1451 1 5 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.676 -0.332 19657 1452 1 5 . 1 1 43 43 CYS C C 43 169.725 169.725 173.274 -3.549 19657 1453 1 5 . 1 1 43 43 CYS CA C 43 50.891 50.891 56.032 -5.141 19657 1454 1 5 . 1 1 43 43 CYS H H 43 7.542 7.542 9.307 -1.765 19657 1455 1 5 . 1 1 44 44 THR N N 44 113.141 113.141 114.177 -1.036 19657 1456 1 5 . 1 1 44 44 THR HA H 44 5.229 5.229 5.192 0.037 19657 1457 1 5 . 1 1 44 44 THR C C 44 169.993 169.993 173.365 -3.372 19657 1458 1 5 . 1 1 44 44 THR CA C 44 57.308 57.308 60.805 -3.497 19657 1459 1 5 . 1 1 44 44 THR CB C 44 69.607 69.607 71.542 -1.935 19657 1460 1 5 . 1 1 44 44 THR H H 44 8.987 8.987 8.852 0.135 19657 1461 1 5 . 1 1 45 45 VAL N N 45 121.909 121.909 122.822 -0.913 19657 1462 1 5 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.909 -0.422 19657 1463 1 5 . 1 1 45 45 VAL C C 45 171.182 171.182 173.963 -2.781 19657 1464 1 5 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.050 -2.981 19657 1465 1 5 . 1 1 45 45 VAL CB C 45 33.384 33.384 34.707 -1.323 19657 1466 1 5 . 1 1 45 45 VAL H H 45 8.571 8.571 8.043 0.528 19657 1467 1 5 . 1 1 46 46 ASP N N 46 126.446 126.446 126.219 0.227 19657 1468 1 5 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.229 0.098 19657 1469 1 5 . 1 1 46 46 ASP C C 46 175.630 175.630 176.925 -1.295 19657 1470 1 5 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.987 -3.732 19657 1471 1 5 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.846 -4.795 19657 1472 1 5 . 1 1 46 46 ASP H H 46 8.566 8.566 8.440 0.126 19657 1473 1 5 . 1 1 47 47 THR N N 47 114.273 114.273 119.981 -5.708 19657 1474 1 5 . 1 1 47 47 THR HA H 47 4.185 4.185 4.324 -0.139 19657 1475 1 5 . 1 1 47 47 THR C C 47 173.322 173.322 175.221 -1.899 19657 1476 1 5 . 1 1 47 47 THR CA C 47 60.559 60.559 64.779 -4.220 19657 1477 1 5 . 1 1 47 47 THR CB C 47 66.582 66.582 69.248 -2.666 19657 1478 1 5 . 1 1 47 47 THR H H 47 9.087 9.087 8.814 0.273 19657 1479 1 5 . 1 1 48 48 TYR N N 48 123.848 123.848 121.948 1.900 19657 1480 1 5 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.452 -0.059 19657 1481 1 5 . 1 1 48 48 TYR C C 48 173.776 173.776 176.954 -3.178 19657 1482 1 5 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.290 -2.671 19657 1483 1 5 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.769 -2.952 19657 1484 1 5 . 1 1 48 48 TYR H H 48 8.818 8.818 8.127 0.691 19657 1485 1 5 . 1 1 49 49 ASN N N 49 113.642 113.642 114.200 -0.558 19657 1486 1 5 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.751 -0.286 19657 1487 1 5 . 1 1 49 49 ASN C C 49 172.356 172.356 174.805 -2.449 19657 1488 1 5 . 1 1 49 49 ASN CA C 49 49.231 49.231 53.120 -3.889 19657 1489 1 5 . 1 1 49 49 ASN CB C 49 34.484 34.484 39.097 -4.613 19657 1490 1 5 . 1 1 49 49 ASN H H 49 7.460 7.460 8.168 -0.708 19657 1491 1 5 . 1 1 50 50 ASN N N 50 117.167 117.167 117.213 -0.046 19657 1492 1 5 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.416 -0.226 19657 1493 1 5 . 1 1 50 50 ASN C C 50 170.581 170.581 173.380 -2.799 19657 1494 1 5 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.280 -2.617 19657 1495 1 5 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.432 -3.230 19657 1496 1 5 . 1 1 50 50 ASN H H 50 7.886 7.886 8.101 -0.215 19657 1497 1 5 . 1 1 51 51 ALA N N 51 121.083 121.083 120.720 0.363 19657 1498 1 5 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.548 -0.116 19657 1499 1 5 . 1 1 51 51 ALA C C 51 174.002 174.002 175.722 -1.720 19657 1500 1 5 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.689 -2.086 19657 1501 1 5 . 1 1 51 51 ALA CB C 51 17.688 17.688 21.263 -3.575 19657 1502 1 5 . 1 1 51 51 ALA H H 51 7.843 7.843 7.421 0.422 19657 1503 1 5 . 1 1 52 52 VAL N N 52 125.592 125.592 122.414 3.178 19657 1504 1 5 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.140 -0.241 19657 1505 1 5 . 1 1 52 52 VAL C C 52 171.449 171.449 174.692 -3.243 19657 1506 1 5 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.872 -2.978 19657 1507 1 5 . 1 1 52 52 VAL CB C 52 32.369 32.369 35.503 -3.134 19657 1508 1 5 . 1 1 52 52 VAL H H 52 8.241 8.241 8.227 0.014 19657 1509 1 5 . 1 1 53 53 ASP N N 53 125.731 125.731 125.126 0.605 19657 1510 1 5 . 1 1 53 53 ASP HA H 53 4.923 4.923 5.033 -0.110 19657 1511 1 5 . 1 1 53 53 ASP C C 53 172.314 172.314 174.429 -2.115 19657 1512 1 5 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.537 -3.206 19657 1513 1 5 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.737 -3.975 19657 1514 1 5 . 1 1 53 53 ASP H H 53 8.613 8.613 8.668 -0.055 19657 1515 1 5 . 1 1 54 54 CYS N N 54 122.864 122.864 121.099 1.765 19657 1516 1 5 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.969 -0.335 19657 1517 1 5 . 1 1 54 54 CYS C C 54 167.690 167.690 173.941 -6.251 19657 1518 1 5 . 1 1 54 54 CYS CA C 54 51.047 51.047 55.821 -4.774 19657 1519 1 5 . 1 1 54 54 CYS CB C 54 41.549 41.549 30.950 10.599 19657 1520 1 5 . 1 1 54 54 CYS H H 54 8.627 8.627 8.735 -0.108 19657 1521 1 6 . 1 1 2 2 LYS N N 2 119.803 119.803 119.241 0.562 19657 1522 1 6 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.677 0.572 19657 1523 1 6 . 1 1 2 2 LYS C C 2 172.912 172.912 175.162 -2.250 19657 1524 1 6 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.620 -3.431 19657 1525 1 6 . 1 1 2 2 LYS CB C 2 31.708 31.708 33.279 -1.571 19657 1526 1 6 . 1 1 2 2 LYS H H 2 8.180 8.180 7.524 0.656 19657 1527 1 6 . 1 1 3 3 TYR N N 3 122.744 122.744 124.816 -2.072 19657 1528 1 6 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.806 -0.010 19657 1529 1 6 . 1 1 3 3 TYR C C 3 172.523 172.523 175.250 -2.727 19657 1530 1 6 . 1 1 3 3 TYR CA C 3 53.741 53.741 57.462 -3.720 19657 1531 1 6 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.882 -1.192 19657 1532 1 6 . 1 1 3 3 TYR H H 3 8.951 8.951 8.189 0.762 19657 1533 1 6 . 1 1 4 4 THR N N 4 117.010 117.010 119.342 -2.332 19657 1534 1 6 . 1 1 4 4 THR HA H 4 5.012 5.012 4.715 0.297 19657 1535 1 6 . 1 1 4 4 THR C C 4 171.489 171.489 174.037 -2.548 19657 1536 1 6 . 1 1 4 4 THR CA C 4 58.808 58.808 60.590 -1.782 19657 1537 1 6 . 1 1 4 4 THR CB C 4 67.837 67.837 69.726 -1.889 19657 1538 1 6 . 1 1 4 4 THR H H 4 8.870 8.870 8.718 0.152 19657 1539 1 6 . 1 1 5 5 GLY N N 5 115.340 115.340 114.588 0.752 19657 1540 1 6 . 1 1 5 5 GLY C C 5 171.505 171.505 171.998 -0.493 19657 1541 1 6 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.625 -2.559 19657 1542 1 6 . 1 1 5 5 GLY H H 5 9.116 9.116 8.034 1.082 19657 1543 1 6 . 1 1 6 6 LYS N N 6 121.120 121.120 119.659 1.461 19657 1544 1 6 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.205 0.184 19657 1545 1 6 . 1 1 6 6 LYS C C 6 174.162 174.162 175.790 -1.628 19657 1546 1 6 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.866 -3.222 19657 1547 1 6 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.145 -1.149 19657 1548 1 6 . 1 1 6 6 LYS H H 6 8.408 8.408 8.048 0.360 19657 1549 1 6 . 1 1 7 7 CYS N N 7 122.530 122.530 119.064 3.466 19657 1550 1 6 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.682 0.650 19657 1551 1 6 . 1 1 7 7 CYS C C 7 169.635 169.635 174.043 -4.408 19657 1552 1 6 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.675 -5.265 19657 1553 1 6 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.333 11.312 19657 1554 1 6 . 1 1 7 7 CYS H H 7 9.795 9.795 8.082 1.713 19657 1555 1 6 . 1 1 8 8 THR N N 8 112.909 112.909 114.477 -1.568 19657 1556 1 6 . 1 1 8 8 THR HA H 8 4.690 4.690 4.673 0.017 19657 1557 1 6 . 1 1 8 8 THR C C 8 172.048 172.048 175.048 -3.000 19657 1558 1 6 . 1 1 8 8 THR CA C 8 57.291 57.291 60.281 -2.990 19657 1559 1 6 . 1 1 8 8 THR CB C 8 68.608 68.608 71.131 -2.523 19657 1560 1 6 . 1 1 8 8 THR H H 8 8.630 8.630 7.993 0.637 19657 1561 1 6 . 1 1 9 9 LYS N N 9 127.151 127.151 124.234 2.917 19657 1562 1 6 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.148 -0.590 19657 1563 1 6 . 1 1 9 9 LYS C C 9 176.697 176.697 176.778 -0.081 19657 1564 1 6 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.324 -1.128 19657 1565 1 6 . 1 1 9 9 LYS CB C 9 31.079 31.079 32.287 -1.208 19657 1566 1 6 . 1 1 9 9 LYS H H 9 8.916 8.916 8.728 0.188 19657 1567 1 6 . 1 1 10 10 SER N N 10 116.323 116.323 114.886 1.437 19657 1568 1 6 . 1 1 10 10 SER C C 10 176.174 176.174 175.055 1.119 19657 1569 1 6 . 1 1 10 10 SER CA C 10 59.045 59.045 59.612 -0.567 19657 1570 1 6 . 1 1 10 10 SER H H 10 9.391 9.391 8.066 1.325 19657 1571 1 6 . 1 1 11 11 LYS N N 11 116.908 116.908 120.163 -3.255 19657 1572 1 6 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.429 -0.278 19657 1573 1 6 . 1 1 11 11 LYS C C 11 173.027 173.027 176.454 -3.427 19657 1574 1 6 . 1 1 11 11 LYS CA C 11 53.362 53.362 55.807 -2.445 19657 1575 1 6 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.304 -1.754 19657 1576 1 6 . 1 1 11 11 LYS H H 11 7.079 7.079 8.148 -1.069 19657 1577 1 6 . 1 1 12 12 ASN N N 12 120.313 120.313 118.149 2.164 19657 1578 1 6 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.494 0.091 19657 1579 1 6 . 1 1 12 12 ASN C C 12 171.411 171.411 173.305 -1.894 19657 1580 1 6 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.215 -3.341 19657 1581 1 6 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.263 -2.780 19657 1582 1 6 . 1 1 12 12 ASN H H 12 7.589 7.589 8.101 -0.512 19657 1583 1 6 . 1 1 13 13 GLU N N 13 114.653 114.653 114.278 0.375 19657 1584 1 6 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.924 -0.050 19657 1585 1 6 . 1 1 13 13 GLU C C 13 170.929 170.929 174.760 -3.831 19657 1586 1 6 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.425 -2.396 19657 1587 1 6 . 1 1 13 13 GLU CB C 13 33.773 33.773 32.905 0.868 19657 1588 1 6 . 1 1 13 13 GLU H H 13 7.237 7.237 7.627 -0.390 19657 1589 1 6 . 1 1 14 14 CYS N N 14 123.273 123.273 122.621 0.652 19657 1590 1 6 . 1 1 14 14 CYS HA H 14 4.632 4.632 5.052 -0.420 19657 1591 1 6 . 1 1 14 14 CYS C C 14 168.900 168.900 173.477 -4.577 19657 1592 1 6 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.819 -6.705 19657 1593 1 6 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.209 9.333 19657 1594 1 6 . 1 1 14 14 CYS H H 14 9.637 9.637 8.979 0.658 19657 1595 1 6 . 1 1 15 15 LYS N N 15 111.712 111.712 122.337 -10.625 19657 1596 1 6 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.469 -0.541 19657 1597 1 6 . 1 1 15 15 LYS C C 15 172.655 172.655 174.732 -2.077 19657 1598 1 6 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.152 -3.717 19657 1599 1 6 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.332 -2.860 19657 1600 1 6 . 1 1 15 15 LYS H H 15 8.620 8.620 8.409 0.211 19657 1601 1 6 . 1 1 16 16 TYR N N 16 126.641 126.641 119.963 6.678 19657 1602 1 6 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.067 -0.162 19657 1603 1 6 . 1 1 16 16 TYR C C 16 168.924 168.924 173.890 -4.966 19657 1604 1 6 . 1 1 16 16 TYR CA C 16 52.093 52.093 54.943 -2.850 19657 1605 1 6 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.846 -3.366 19657 1606 1 6 . 1 1 16 16 TYR H H 16 8.993 8.993 8.920 0.073 19657 1607 1 6 . 1 1 17 17 LYS N N 17 120.730 120.730 122.027 -1.297 19657 1608 1 6 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.844 -0.430 19657 1609 1 6 . 1 1 17 17 LYS C C 17 173.386 173.386 176.375 -2.989 19657 1610 1 6 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.059 -3.365 19657 1611 1 6 . 1 1 17 17 LYS CB C 17 30.894 30.894 33.884 -2.990 19657 1612 1 6 . 1 1 17 17 LYS H H 17 8.414 8.414 8.751 -0.337 19657 1613 1 6 . 1 1 18 18 ASN N N 18 122.104 122.104 124.439 -2.335 19657 1614 1 6 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.266 -0.170 19657 1615 1 6 . 1 1 18 18 ASN C C 18 173.990 173.990 176.373 -2.383 19657 1616 1 6 . 1 1 18 18 ASN CA C 18 48.158 48.158 51.712 -3.554 19657 1617 1 6 . 1 1 18 18 ASN CB C 18 35.143 35.143 38.855 -3.712 19657 1618 1 6 . 1 1 18 18 ASN H H 18 7.729 7.729 8.117 -0.388 19657 1619 1 6 . 1 1 19 19 ASP N N 19 117.316 117.316 119.168 -1.852 19657 1620 1 6 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.449 -0.076 19657 1621 1 6 . 1 1 19 19 ASP C C 19 173.929 173.929 176.878 -2.949 19657 1622 1 6 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.954 -2.689 19657 1623 1 6 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.556 -3.197 19657 1624 1 6 . 1 1 19 19 ASP H H 19 8.231 8.231 8.733 -0.502 19657 1625 1 6 . 1 1 20 20 ALA N N 20 120.814 120.814 120.356 0.458 19657 1626 1 6 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.226 0.169 19657 1627 1 6 . 1 1 20 20 ALA C C 20 174.854 174.854 177.917 -3.063 19657 1628 1 6 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.393 -3.628 19657 1629 1 6 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.181 -3.168 19657 1630 1 6 . 1 1 20 20 ALA H H 20 7.413 7.413 7.756 -0.343 19657 1631 1 6 . 1 1 21 21 GLY N N 21 126.585 126.585 105.379 21.206 19657 1632 1 6 . 1 1 21 21 GLY C C 21 171.015 171.015 174.866 -3.851 19657 1633 1 6 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.202 -2.375 19657 1634 1 6 . 1 1 21 21 GLY H H 21 8.162 8.162 8.096 0.066 19657 1635 1 6 . 1 1 22 22 LYS N N 22 120.322 120.322 122.432 -2.110 19657 1636 1 6 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.295 0.022 19657 1637 1 6 . 1 1 22 22 LYS C C 22 174.076 174.076 175.177 -1.101 19657 1638 1 6 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.686 -4.250 19657 1639 1 6 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.139 -2.563 19657 1640 1 6 . 1 1 22 22 LYS H H 22 7.676 7.676 7.782 -0.106 19657 1641 1 6 . 1 1 23 23 ASP N N 23 126.455 126.455 120.467 5.988 19657 1642 1 6 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.797 -0.535 19657 1643 1 6 . 1 1 23 23 ASP C C 23 172.391 172.391 176.002 -3.611 19657 1644 1 6 . 1 1 23 23 ASP CA C 23 52.973 52.973 53.241 -0.268 19657 1645 1 6 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.311 -3.188 19657 1646 1 6 . 1 1 23 23 ASP H H 23 8.619 8.619 8.199 0.420 19657 1647 1 6 . 1 1 24 24 THR N N 24 122.762 122.762 118.843 3.919 19657 1648 1 6 . 1 1 24 24 THR HA H 24 4.009 4.009 4.485 -0.476 19657 1649 1 6 . 1 1 24 24 THR C C 24 167.562 167.562 173.061 -5.499 19657 1650 1 6 . 1 1 24 24 THR CA C 24 59.223 59.223 61.036 -1.813 19657 1651 1 6 . 1 1 24 24 THR CB C 24 67.985 67.985 70.569 -2.584 19657 1652 1 6 . 1 1 24 24 THR H H 24 8.773 8.773 8.554 0.219 19657 1653 1 6 . 1 1 25 25 PHE N N 25 122.224 122.224 124.076 -1.852 19657 1654 1 6 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.607 -0.225 19657 1655 1 6 . 1 1 25 25 PHE C C 25 172.781 172.781 174.248 -1.467 19657 1656 1 6 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.361 -1.764 19657 1657 1 6 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.243 -1.998 19657 1658 1 6 . 1 1 25 25 PHE H H 25 8.314 8.314 7.784 0.530 19657 1659 1 6 . 1 1 26 26 ILE N N 26 123.050 123.050 123.110 -0.060 19657 1660 1 6 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.542 0.074 19657 1661 1 6 . 1 1 26 26 ILE C C 26 170.373 170.373 174.431 -4.058 19657 1662 1 6 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.387 -2.543 19657 1663 1 6 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.818 -3.343 19657 1664 1 6 . 1 1 26 26 ILE H H 26 9.093 9.093 9.167 -0.074 19657 1665 1 6 . 1 1 27 27 LYS N N 27 126.928 126.928 124.243 2.685 19657 1666 1 6 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.308 -0.117 19657 1667 1 6 . 1 1 27 27 LYS C C 27 174.551 174.551 175.582 -1.031 19657 1668 1 6 . 1 1 27 27 LYS CA C 27 55.166 55.166 56.199 -1.033 19657 1669 1 6 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.311 -2.731 19657 1670 1 6 . 1 1 27 27 LYS H H 27 8.309 8.309 8.248 0.061 19657 1671 1 6 . 1 1 28 28 CYS N N 28 119.357 119.357 122.427 -3.070 19657 1672 1 6 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.827 -0.255 19657 1673 1 6 . 1 1 28 28 CYS C C 28 169.287 169.287 173.024 -3.737 19657 1674 1 6 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.077 -4.536 19657 1675 1 6 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.720 9.867 19657 1676 1 6 . 1 1 28 28 CYS H H 28 8.414 8.414 8.666 -0.252 19657 1677 1 6 . 1 1 30 30 LYS N N 30 116.481 116.481 119.926 -3.445 19657 1678 1 6 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.358 -0.402 19657 1679 1 6 . 1 1 30 30 LYS C C 30 173.819 173.819 176.584 -2.765 19657 1680 1 6 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.118 -2.621 19657 1681 1 6 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.132 -2.042 19657 1682 1 6 . 1 1 30 30 LYS H H 30 8.004 8.004 8.594 -0.590 19657 1683 1 6 . 1 1 31 31 PHE N N 31 116.963 116.963 119.156 -2.193 19657 1684 1 6 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.465 0.012 19657 1685 1 6 . 1 1 31 31 PHE C C 31 173.518 173.518 177.024 -3.506 19657 1686 1 6 . 1 1 31 31 PHE CA C 31 54.044 54.044 58.480 -4.436 19657 1687 1 6 . 1 1 31 31 PHE CB C 31 37.643 37.643 39.788 -2.145 19657 1688 1 6 . 1 1 31 31 PHE H H 31 6.424 6.424 7.911 -1.487 19657 1689 1 6 . 1 1 32 32 ASP N N 32 121.612 121.612 122.856 -1.244 19657 1690 1 6 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.392 -0.256 19657 1691 1 6 . 1 1 32 32 ASP C C 32 173.688 173.688 176.804 -3.116 19657 1692 1 6 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.638 -1.845 19657 1693 1 6 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.798 -2.906 19657 1694 1 6 . 1 1 32 32 ASP H H 32 8.800 8.800 8.878 -0.078 19657 1695 1 6 . 1 1 33 33 ASN N N 33 113.168 113.168 115.793 -2.625 19657 1696 1 6 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.571 -0.008 19657 1697 1 6 . 1 1 33 33 ASN C C 33 172.656 172.656 175.539 -2.883 19657 1698 1 6 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.106 -2.744 19657 1699 1 6 . 1 1 33 33 ASN CB C 33 34.754 34.754 38.710 -3.956 19657 1700 1 6 . 1 1 33 33 ASN H H 33 8.455 8.455 8.339 0.116 19657 1701 1 6 . 1 1 34 34 LYS N N 34 117.622 117.622 119.490 -1.868 19657 1702 1 6 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.552 0.312 19657 1703 1 6 . 1 1 34 34 LYS C C 34 171.666 171.666 173.991 -2.325 19657 1704 1 6 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.192 -4.044 19657 1705 1 6 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.084 -2.271 19657 1706 1 6 . 1 1 34 34 LYS H H 34 7.676 7.676 7.778 -0.102 19657 1707 1 6 . 1 1 35 35 LYS N N 35 116.880 116.880 118.560 -1.680 19657 1708 1 6 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.680 -0.181 19657 1709 1 6 . 1 1 35 35 LYS C C 35 172.133 172.133 174.212 -2.079 19657 1710 1 6 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.790 -2.635 19657 1711 1 6 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.244 -4.469 19657 1712 1 6 . 1 1 35 35 LYS H H 35 6.927 6.927 7.855 -0.928 19657 1713 1 6 . 1 1 36 36 CYS N N 36 117.678 117.678 120.587 -2.909 19657 1714 1 6 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.785 -0.098 19657 1715 1 6 . 1 1 36 36 CYS C C 36 174.909 174.909 176.475 -1.566 19657 1716 1 6 . 1 1 36 36 CYS CA C 36 53.356 53.356 59.294 -5.938 19657 1717 1 6 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.200 12.503 19657 1718 1 6 . 1 1 36 36 CYS H H 36 8.572 8.572 8.621 -0.049 19657 1719 1 6 . 1 1 37 37 THR N N 37 121.872 121.872 119.102 2.770 19657 1720 1 6 . 1 1 37 37 THR HA H 37 4.219 4.219 4.401 -0.182 19657 1721 1 6 . 1 1 37 37 THR C C 37 172.565 172.565 174.201 -1.636 19657 1722 1 6 . 1 1 37 37 THR CA C 37 60.478 60.478 63.294 -2.816 19657 1723 1 6 . 1 1 37 37 THR CB C 37 68.235 68.235 69.349 -1.114 19657 1724 1 6 . 1 1 37 37 THR H H 37 10.105 10.105 8.706 1.399 19657 1725 1 6 . 1 1 38 38 LYS N N 38 122.020 122.020 120.466 1.554 19657 1726 1 6 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.533 -0.378 19657 1727 1 6 . 1 1 38 38 LYS C C 38 170.713 170.713 174.618 -3.905 19657 1728 1 6 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.310 -0.445 19657 1729 1 6 . 1 1 38 38 LYS CB C 38 32.499 32.499 35.885 -3.386 19657 1730 1 6 . 1 1 38 38 LYS H H 38 7.258 7.258 7.493 -0.235 19657 1731 1 6 . 1 1 39 39 ASP N N 39 124.776 124.776 120.775 4.001 19657 1732 1 6 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.533 0.044 19657 1733 1 6 . 1 1 39 39 ASP C C 39 175.068 175.068 176.560 -1.492 19657 1734 1 6 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.999 -0.966 19657 1735 1 6 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.525 -4.071 19657 1736 1 6 . 1 1 39 39 ASP H H 39 8.783 8.783 8.357 0.426 19657 1737 1 6 . 1 1 40 40 ASN N N 40 114.764 114.764 117.301 -2.537 19657 1738 1 6 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.324 -0.062 19657 1739 1 6 . 1 1 40 40 ASN C C 40 171.530 171.530 174.722 -3.192 19657 1740 1 6 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.502 -1.527 19657 1741 1 6 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.430 -4.250 19657 1742 1 6 . 1 1 40 40 ASN H H 40 9.467 9.467 8.464 1.003 19657 1743 1 6 . 1 1 41 41 ASN N N 41 120.183 120.183 115.868 4.315 19657 1744 1 6 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.537 0.138 19657 1745 1 6 . 1 1 41 41 ASN C C 41 171.964 171.964 174.296 -2.332 19657 1746 1 6 . 1 1 41 41 ASN CA C 41 49.368 49.368 53.932 -4.564 19657 1747 1 6 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.573 -3.175 19657 1748 1 6 . 1 1 41 41 ASN H H 41 7.729 7.729 7.882 -0.153 19657 1749 1 6 . 1 1 42 42 LYS N N 42 119.700 119.700 117.248 2.452 19657 1750 1 6 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.160 -0.805 19657 1751 1 6 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.137 -0.587 19657 1752 1 6 . 1 1 42 42 LYS CB C 42 30.627 30.627 35.942 -5.315 19657 1753 1 6 . 1 1 42 42 LYS H H 42 8.496 8.496 8.050 0.446 19657 1754 1 6 . 1 1 43 43 CYS N N 43 113.920 113.920 118.149 -4.229 19657 1755 1 6 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.560 -0.216 19657 1756 1 6 . 1 1 43 43 CYS C C 43 169.725 169.725 173.177 -3.452 19657 1757 1 6 . 1 1 43 43 CYS CA C 43 50.891 50.891 56.117 -5.226 19657 1758 1 6 . 1 1 43 43 CYS H H 43 7.542 7.542 9.337 -1.795 19657 1759 1 6 . 1 1 44 44 THR N N 44 113.141 113.141 114.145 -1.004 19657 1760 1 6 . 1 1 44 44 THR HA H 44 5.229 5.229 5.159 0.070 19657 1761 1 6 . 1 1 44 44 THR C C 44 169.993 169.993 173.217 -3.224 19657 1762 1 6 . 1 1 44 44 THR CA C 44 57.308 57.308 60.760 -3.452 19657 1763 1 6 . 1 1 44 44 THR CB C 44 69.607 69.607 71.434 -1.827 19657 1764 1 6 . 1 1 44 44 THR H H 44 8.987 8.987 8.891 0.096 19657 1765 1 6 . 1 1 45 45 VAL N N 45 121.909 121.909 123.436 -1.527 19657 1766 1 6 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.628 -0.141 19657 1767 1 6 . 1 1 45 45 VAL C C 45 171.182 171.182 173.834 -2.652 19657 1768 1 6 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.471 -3.402 19657 1769 1 6 . 1 1 45 45 VAL CB C 45 33.384 33.384 34.720 -1.336 19657 1770 1 6 . 1 1 45 45 VAL H H 45 8.571 8.571 8.128 0.443 19657 1771 1 6 . 1 1 46 46 ASP N N 46 126.446 126.446 126.375 0.071 19657 1772 1 6 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.461 -0.134 19657 1773 1 6 . 1 1 46 46 ASP C C 46 175.630 175.630 176.782 -1.152 19657 1774 1 6 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.870 -3.615 19657 1775 1 6 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.709 -4.658 19657 1776 1 6 . 1 1 46 46 ASP H H 46 8.566 8.566 8.466 0.100 19657 1777 1 6 . 1 1 47 47 THR N N 47 114.273 114.273 118.840 -4.567 19657 1778 1 6 . 1 1 47 47 THR HA H 47 4.185 4.185 4.390 -0.205 19657 1779 1 6 . 1 1 47 47 THR C C 47 173.322 173.322 175.344 -2.022 19657 1780 1 6 . 1 1 47 47 THR CA C 47 60.559 60.559 64.232 -3.673 19657 1781 1 6 . 1 1 47 47 THR CB C 47 66.582 66.582 69.270 -2.688 19657 1782 1 6 . 1 1 47 47 THR H H 47 9.087 9.087 8.823 0.264 19657 1783 1 6 . 1 1 48 48 TYR N N 48 123.848 123.848 121.961 1.887 19657 1784 1 6 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.329 0.064 19657 1785 1 6 . 1 1 48 48 TYR C C 48 173.776 173.776 176.472 -2.696 19657 1786 1 6 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.657 -3.038 19657 1787 1 6 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.893 -3.076 19657 1788 1 6 . 1 1 48 48 TYR H H 48 8.818 8.818 8.196 0.622 19657 1789 1 6 . 1 1 49 49 ASN N N 49 113.642 113.642 113.109 0.533 19657 1790 1 6 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.702 -0.237 19657 1791 1 6 . 1 1 49 49 ASN C C 49 172.356 172.356 175.059 -2.703 19657 1792 1 6 . 1 1 49 49 ASN CA C 49 49.231 49.231 52.688 -3.457 19657 1793 1 6 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.710 -4.226 19657 1794 1 6 . 1 1 49 49 ASN H H 49 7.460 7.460 8.146 -0.686 19657 1795 1 6 . 1 1 50 50 ASN N N 50 117.167 117.167 117.221 -0.054 19657 1796 1 6 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.464 -0.274 19657 1797 1 6 . 1 1 50 50 ASN C C 50 170.581 170.581 173.583 -3.002 19657 1798 1 6 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.245 -2.582 19657 1799 1 6 . 1 1 50 50 ASN CB C 50 34.202 34.202 36.704 -2.502 19657 1800 1 6 . 1 1 50 50 ASN H H 50 7.886 7.886 7.944 -0.058 19657 1801 1 6 . 1 1 51 51 ALA N N 51 121.083 121.083 121.091 -0.008 19657 1802 1 6 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.609 -0.177 19657 1803 1 6 . 1 1 51 51 ALA C C 51 174.002 174.002 175.830 -1.828 19657 1804 1 6 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.328 -1.724 19657 1805 1 6 . 1 1 51 51 ALA CB C 51 17.688 17.688 21.104 -3.416 19657 1806 1 6 . 1 1 51 51 ALA H H 51 7.843 7.843 7.686 0.157 19657 1807 1 6 . 1 1 52 52 VAL N N 52 125.592 125.592 119.565 6.027 19657 1808 1 6 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.298 -0.399 19657 1809 1 6 . 1 1 52 52 VAL C C 52 171.449 171.449 174.714 -3.265 19657 1810 1 6 . 1 1 52 52 VAL CA C 52 57.894 57.894 59.042 -1.148 19657 1811 1 6 . 1 1 52 52 VAL CB C 52 32.369 32.369 34.385 -2.016 19657 1812 1 6 . 1 1 52 52 VAL H H 52 8.241 8.241 8.293 -0.052 19657 1813 1 6 . 1 1 53 53 ASP N N 53 125.731 125.731 126.613 -0.882 19657 1814 1 6 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.955 -0.032 19657 1815 1 6 . 1 1 53 53 ASP C C 53 172.314 172.314 174.904 -2.590 19657 1816 1 6 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.731 -3.400 19657 1817 1 6 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.413 -3.651 19657 1818 1 6 . 1 1 53 53 ASP H H 53 8.613 8.613 8.975 -0.362 19657 1819 1 6 . 1 1 54 54 CYS N N 54 122.864 122.864 122.373 0.491 19657 1820 1 6 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.648 -0.014 19657 1821 1 6 . 1 1 54 54 CYS C C 54 167.690 167.690 174.893 -7.203 19657 1822 1 6 . 1 1 54 54 CYS CA C 54 51.047 51.047 57.960 -6.913 19657 1823 1 6 . 1 1 54 54 CYS CB C 54 41.549 41.549 29.518 12.031 19657 1824 1 6 . 1 1 54 54 CYS H H 54 8.627 8.627 8.818 -0.191 19657 1825 1 7 . 1 1 2 2 LYS N N 2 119.803 119.803 119.328 0.475 19657 1826 1 7 . 1 1 2 2 LYS HA H 2 5.249 5.249 5.290 -0.041 19657 1827 1 7 . 1 1 2 2 LYS C C 2 172.912 172.912 175.341 -2.429 19657 1828 1 7 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.102 -2.913 19657 1829 1 7 . 1 1 2 2 LYS CB C 2 31.708 31.708 34.710 -3.002 19657 1830 1 7 . 1 1 2 2 LYS H H 2 8.180 8.180 8.056 0.124 19657 1831 1 7 . 1 1 3 3 TYR N N 3 122.744 122.744 123.372 -0.628 19657 1832 1 7 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.767 0.029 19657 1833 1 7 . 1 1 3 3 TYR C C 3 172.523 172.523 174.969 -2.446 19657 1834 1 7 . 1 1 3 3 TYR CA C 3 53.741 53.741 57.270 -3.529 19657 1835 1 7 . 1 1 3 3 TYR CB C 3 39.690 39.690 41.303 -1.613 19657 1836 1 7 . 1 1 3 3 TYR H H 3 8.951 8.951 8.635 0.316 19657 1837 1 7 . 1 1 4 4 THR N N 4 117.010 117.010 119.483 -2.473 19657 1838 1 7 . 1 1 4 4 THR HA H 4 5.012 5.012 4.631 0.381 19657 1839 1 7 . 1 1 4 4 THR C C 4 171.489 171.489 174.135 -2.646 19657 1840 1 7 . 1 1 4 4 THR CA C 4 58.808 58.808 60.907 -2.099 19657 1841 1 7 . 1 1 4 4 THR CB C 4 67.837 67.837 69.764 -1.927 19657 1842 1 7 . 1 1 4 4 THR H H 4 8.870 8.870 8.708 0.162 19657 1843 1 7 . 1 1 5 5 GLY N N 5 115.340 115.340 114.274 1.066 19657 1844 1 7 . 1 1 5 5 GLY C C 5 171.505 171.505 171.972 -0.467 19657 1845 1 7 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.801 -2.735 19657 1846 1 7 . 1 1 5 5 GLY H H 5 9.116 9.116 7.972 1.144 19657 1847 1 7 . 1 1 6 6 LYS N N 6 121.120 121.120 119.565 1.555 19657 1848 1 7 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.297 0.092 19657 1849 1 7 . 1 1 6 6 LYS C C 6 174.162 174.162 175.757 -1.595 19657 1850 1 7 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.800 -3.156 19657 1851 1 7 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.082 -1.085 19657 1852 1 7 . 1 1 6 6 LYS H H 6 8.408 8.408 8.122 0.286 19657 1853 1 7 . 1 1 7 7 CYS N N 7 122.530 122.530 119.167 3.363 19657 1854 1 7 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.669 0.663 19657 1855 1 7 . 1 1 7 7 CYS C C 7 169.635 169.635 173.782 -4.147 19657 1856 1 7 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.594 -5.184 19657 1857 1 7 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.433 11.212 19657 1858 1 7 . 1 1 7 7 CYS H H 7 9.795 9.795 8.701 1.094 19657 1859 1 7 . 1 1 8 8 THR N N 8 112.909 112.909 113.669 -0.760 19657 1860 1 7 . 1 1 8 8 THR HA H 8 4.690 4.690 4.823 -0.133 19657 1861 1 7 . 1 1 8 8 THR C C 8 172.048 172.048 175.364 -3.316 19657 1862 1 7 . 1 1 8 8 THR CA C 8 57.291 57.291 59.739 -2.448 19657 1863 1 7 . 1 1 8 8 THR CB C 8 68.608 68.608 71.659 -3.051 19657 1864 1 7 . 1 1 8 8 THR H H 8 8.630 8.630 8.017 0.613 19657 1865 1 7 . 1 1 9 9 LYS N N 9 127.151 127.151 122.595 4.556 19657 1866 1 7 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.301 -0.743 19657 1867 1 7 . 1 1 9 9 LYS C C 9 176.697 176.697 176.968 -0.271 19657 1868 1 7 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.291 -1.095 19657 1869 1 7 . 1 1 9 9 LYS CB C 9 31.079 31.079 31.875 -0.795 19657 1870 1 7 . 1 1 9 9 LYS H H 9 8.916 8.916 8.515 0.401 19657 1871 1 7 . 1 1 10 10 SER N N 10 116.323 116.323 115.487 0.836 19657 1872 1 7 . 1 1 10 10 SER C C 10 176.174 176.174 175.358 0.816 19657 1873 1 7 . 1 1 10 10 SER CA C 10 59.045 59.045 60.511 -1.466 19657 1874 1 7 . 1 1 10 10 SER H H 10 9.391 9.391 8.227 1.164 19657 1875 1 7 . 1 1 11 11 LYS N N 11 116.908 116.908 119.402 -2.494 19657 1876 1 7 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.331 -0.180 19657 1877 1 7 . 1 1 11 11 LYS C C 11 173.027 173.027 176.234 -3.207 19657 1878 1 7 . 1 1 11 11 LYS CA C 11 53.362 53.362 55.950 -2.587 19657 1879 1 7 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.486 -1.937 19657 1880 1 7 . 1 1 11 11 LYS H H 11 7.079 7.079 8.211 -1.132 19657 1881 1 7 . 1 1 12 12 ASN N N 12 120.313 120.313 116.766 3.547 19657 1882 1 7 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.462 0.123 19657 1883 1 7 . 1 1 12 12 ASN C C 12 171.411 171.411 173.235 -1.824 19657 1884 1 7 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.299 -3.425 19657 1885 1 7 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.651 -3.168 19657 1886 1 7 . 1 1 12 12 ASN H H 12 7.589 7.589 8.136 -0.547 19657 1887 1 7 . 1 1 13 13 GLU N N 13 114.653 114.653 114.379 0.274 19657 1888 1 7 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.931 -0.057 19657 1889 1 7 . 1 1 13 13 GLU C C 13 170.929 170.929 174.618 -3.689 19657 1890 1 7 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.239 -2.210 19657 1891 1 7 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.271 0.502 19657 1892 1 7 . 1 1 13 13 GLU H H 13 7.237 7.237 7.632 -0.395 19657 1893 1 7 . 1 1 14 14 CYS N N 14 123.273 123.273 121.941 1.332 19657 1894 1 7 . 1 1 14 14 CYS HA H 14 4.632 4.632 5.019 -0.387 19657 1895 1 7 . 1 1 14 14 CYS C C 14 168.900 168.900 173.423 -4.523 19657 1896 1 7 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.516 -6.402 19657 1897 1 7 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.464 9.078 19657 1898 1 7 . 1 1 14 14 CYS H H 14 9.637 9.637 9.141 0.496 19657 1899 1 7 . 1 1 15 15 LYS N N 15 111.712 111.712 122.753 -11.041 19657 1900 1 7 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.391 -0.463 19657 1901 1 7 . 1 1 15 15 LYS C C 15 172.655 172.655 174.852 -2.197 19657 1902 1 7 . 1 1 15 15 LYS CA C 15 51.435 51.435 54.952 -3.517 19657 1903 1 7 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.095 -2.623 19657 1904 1 7 . 1 1 15 15 LYS H H 15 8.620 8.620 8.437 0.183 19657 1905 1 7 . 1 1 16 16 TYR N N 16 126.641 126.641 119.738 6.903 19657 1906 1 7 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.092 -0.187 19657 1907 1 7 . 1 1 16 16 TYR C C 16 168.924 168.924 174.050 -5.126 19657 1908 1 7 . 1 1 16 16 TYR CA C 16 52.093 52.093 54.874 -2.781 19657 1909 1 7 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.940 -3.461 19657 1910 1 7 . 1 1 16 16 TYR H H 16 8.993 8.993 8.836 0.157 19657 1911 1 7 . 1 1 17 17 LYS N N 17 120.730 120.730 121.884 -1.154 19657 1912 1 7 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.855 -0.441 19657 1913 1 7 . 1 1 17 17 LYS C C 17 173.386 173.386 176.202 -2.816 19657 1914 1 7 . 1 1 17 17 LYS CA C 17 51.694 51.694 54.956 -3.262 19657 1915 1 7 . 1 1 17 17 LYS CB C 17 30.894 30.894 34.146 -3.252 19657 1916 1 7 . 1 1 17 17 LYS H H 17 8.414 8.414 8.749 -0.335 19657 1917 1 7 . 1 1 18 18 ASN N N 18 122.104 122.104 124.173 -2.069 19657 1918 1 7 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.354 -0.258 19657 1919 1 7 . 1 1 18 18 ASN C C 18 173.990 173.990 176.512 -2.522 19657 1920 1 7 . 1 1 18 18 ASN CA C 18 48.158 48.158 52.013 -3.855 19657 1921 1 7 . 1 1 18 18 ASN CB C 18 35.143 35.143 38.842 -3.699 19657 1922 1 7 . 1 1 18 18 ASN H H 18 7.729 7.729 8.159 -0.430 19657 1923 1 7 . 1 1 19 19 ASP N N 19 117.316 117.316 119.665 -2.349 19657 1924 1 7 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.452 -0.079 19657 1925 1 7 . 1 1 19 19 ASP C C 19 173.929 173.929 176.934 -3.005 19657 1926 1 7 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.683 -2.418 19657 1927 1 7 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.500 -3.141 19657 1928 1 7 . 1 1 19 19 ASP H H 19 8.231 8.231 8.810 -0.579 19657 1929 1 7 . 1 1 20 20 ALA N N 20 120.814 120.814 120.447 0.367 19657 1930 1 7 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.291 0.104 19657 1931 1 7 . 1 1 20 20 ALA C C 20 174.854 174.854 178.475 -3.621 19657 1932 1 7 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.476 -3.711 19657 1933 1 7 . 1 1 20 20 ALA CB C 20 16.013 16.013 18.926 -2.913 19657 1934 1 7 . 1 1 20 20 ALA H H 20 7.413 7.413 8.124 -0.711 19657 1935 1 7 . 1 1 21 21 GLY N N 21 126.585 126.585 106.501 20.084 19657 1936 1 7 . 1 1 21 21 GLY C C 21 171.015 171.015 174.637 -3.622 19657 1937 1 7 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.352 -2.525 19657 1938 1 7 . 1 1 21 21 GLY H H 21 8.162 8.162 8.098 0.064 19657 1939 1 7 . 1 1 22 22 LYS N N 22 120.322 120.322 121.642 -1.320 19657 1940 1 7 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.337 -0.020 19657 1941 1 7 . 1 1 22 22 LYS C C 22 174.076 174.076 174.968 -0.892 19657 1942 1 7 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.611 -4.175 19657 1943 1 7 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.385 -2.809 19657 1944 1 7 . 1 1 22 22 LYS H H 22 7.676 7.676 7.678 -0.002 19657 1945 1 7 . 1 1 23 23 ASP N N 23 126.455 126.455 121.064 5.391 19657 1946 1 7 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.787 -0.525 19657 1947 1 7 . 1 1 23 23 ASP C C 23 172.391 172.391 176.016 -3.625 19657 1948 1 7 . 1 1 23 23 ASP CA C 23 52.973 52.973 53.273 -0.300 19657 1949 1 7 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.183 -3.060 19657 1950 1 7 . 1 1 23 23 ASP H H 23 8.619 8.619 8.272 0.347 19657 1951 1 7 . 1 1 24 24 THR N N 24 122.762 122.762 119.552 3.210 19657 1952 1 7 . 1 1 24 24 THR HA H 24 4.009 4.009 4.383 -0.374 19657 1953 1 7 . 1 1 24 24 THR C C 24 167.562 167.562 172.824 -5.262 19657 1954 1 7 . 1 1 24 24 THR CA C 24 59.223 59.223 61.307 -2.084 19657 1955 1 7 . 1 1 24 24 THR CB C 24 67.985 67.985 70.375 -2.390 19657 1956 1 7 . 1 1 24 24 THR H H 24 8.773 8.773 8.807 -0.034 19657 1957 1 7 . 1 1 25 25 PHE N N 25 122.224 122.224 124.055 -1.831 19657 1958 1 7 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.542 -0.160 19657 1959 1 7 . 1 1 25 25 PHE C C 25 172.781 172.781 174.329 -1.548 19657 1960 1 7 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.167 -1.570 19657 1961 1 7 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.294 -2.049 19657 1962 1 7 . 1 1 25 25 PHE H H 25 8.314 8.314 7.609 0.705 19657 1963 1 7 . 1 1 26 26 ILE N N 26 123.050 123.050 123.969 -0.919 19657 1964 1 7 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.616 0.000 19657 1965 1 7 . 1 1 26 26 ILE C C 26 170.373 170.373 174.446 -4.073 19657 1966 1 7 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.714 -2.870 19657 1967 1 7 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.826 -3.351 19657 1968 1 7 . 1 1 26 26 ILE H H 26 9.093 9.093 9.184 -0.091 19657 1969 1 7 . 1 1 27 27 LYS N N 27 126.928 126.928 124.992 1.936 19657 1970 1 7 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.316 -0.125 19657 1971 1 7 . 1 1 27 27 LYS C C 27 174.551 174.551 175.863 -1.312 19657 1972 1 7 . 1 1 27 27 LYS CA C 27 55.166 55.166 55.877 -0.711 19657 1973 1 7 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.123 -2.543 19657 1974 1 7 . 1 1 27 27 LYS H H 27 8.309 8.309 8.204 0.105 19657 1975 1 7 . 1 1 28 28 CYS N N 28 119.357 119.357 121.946 -2.589 19657 1976 1 7 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.834 -0.262 19657 1977 1 7 . 1 1 28 28 CYS C C 28 169.287 169.287 173.051 -3.764 19657 1978 1 7 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.251 -4.710 19657 1979 1 7 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.691 9.896 19657 1980 1 7 . 1 1 28 28 CYS H H 28 8.414 8.414 8.630 -0.216 19657 1981 1 7 . 1 1 30 30 LYS N N 30 116.481 116.481 120.202 -3.721 19657 1982 1 7 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.291 -0.335 19657 1983 1 7 . 1 1 30 30 LYS C C 30 173.819 173.819 176.034 -2.215 19657 1984 1 7 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.313 -2.816 19657 1985 1 7 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.288 -2.199 19657 1986 1 7 . 1 1 30 30 LYS H H 30 8.004 8.004 8.374 -0.370 19657 1987 1 7 . 1 1 31 31 PHE N N 31 116.963 116.963 118.370 -1.407 19657 1988 1 7 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.501 -0.024 19657 1989 1 7 . 1 1 31 31 PHE C C 31 173.518 173.518 177.400 -3.882 19657 1990 1 7 . 1 1 31 31 PHE CA C 31 54.044 54.044 58.411 -4.367 19657 1991 1 7 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.085 -2.442 19657 1992 1 7 . 1 1 31 31 PHE H H 31 6.424 6.424 7.785 -1.361 19657 1993 1 7 . 1 1 32 32 ASP N N 32 121.612 121.612 122.346 -0.734 19657 1994 1 7 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.426 -0.290 19657 1995 1 7 . 1 1 32 32 ASP C C 32 173.688 173.688 176.637 -2.949 19657 1996 1 7 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.625 -1.832 19657 1997 1 7 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.791 -2.899 19657 1998 1 7 . 1 1 32 32 ASP H H 32 8.800 8.800 8.909 -0.109 19657 1999 1 7 . 1 1 33 33 ASN N N 33 113.168 113.168 117.047 -3.879 19657 2000 1 7 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.621 -0.058 19657 2001 1 7 . 1 1 33 33 ASN C C 33 172.656 172.656 175.488 -2.832 19657 2002 1 7 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.303 -2.941 19657 2003 1 7 . 1 1 33 33 ASN CB C 33 34.754 34.754 38.704 -3.950 19657 2004 1 7 . 1 1 33 33 ASN H H 33 8.455 8.455 8.571 -0.116 19657 2005 1 7 . 1 1 34 34 LYS N N 34 117.622 117.622 118.207 -0.585 19657 2006 1 7 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.611 0.253 19657 2007 1 7 . 1 1 34 34 LYS C C 34 171.666 171.666 173.928 -2.262 19657 2008 1 7 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.339 -4.191 19657 2009 1 7 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.332 -2.519 19657 2010 1 7 . 1 1 34 34 LYS H H 34 7.676 7.676 7.784 -0.108 19657 2011 1 7 . 1 1 35 35 LYS N N 35 116.880 116.880 118.194 -1.314 19657 2012 1 7 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.676 -0.177 19657 2013 1 7 . 1 1 35 35 LYS C C 35 172.133 172.133 174.463 -2.330 19657 2014 1 7 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.903 -2.748 19657 2015 1 7 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.363 -4.588 19657 2016 1 7 . 1 1 35 35 LYS H H 35 6.927 6.927 7.951 -1.024 19657 2017 1 7 . 1 1 36 36 CYS N N 36 117.678 117.678 120.985 -3.307 19657 2018 1 7 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.763 -0.076 19657 2019 1 7 . 1 1 36 36 CYS C C 36 174.909 174.909 176.444 -1.535 19657 2020 1 7 . 1 1 36 36 CYS CA C 36 53.356 53.356 58.796 -5.440 19657 2021 1 7 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.487 12.216 19657 2022 1 7 . 1 1 36 36 CYS H H 36 8.572 8.572 8.701 -0.129 19657 2023 1 7 . 1 1 37 37 THR N N 37 121.872 121.872 120.539 1.333 19657 2024 1 7 . 1 1 37 37 THR HA H 37 4.219 4.219 4.370 -0.151 19657 2025 1 7 . 1 1 37 37 THR C C 37 172.565 172.565 174.250 -1.685 19657 2026 1 7 . 1 1 37 37 THR CA C 37 60.478 60.478 62.917 -2.439 19657 2027 1 7 . 1 1 37 37 THR CB C 37 68.235 68.235 69.642 -1.407 19657 2028 1 7 . 1 1 37 37 THR H H 37 10.105 10.105 8.582 1.523 19657 2029 1 7 . 1 1 38 38 LYS N N 38 122.020 122.020 121.091 0.929 19657 2030 1 7 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.515 -0.360 19657 2031 1 7 . 1 1 38 38 LYS C C 38 170.713 170.713 174.699 -3.986 19657 2032 1 7 . 1 1 38 38 LYS CA C 38 53.865 53.865 55.041 -1.177 19657 2033 1 7 . 1 1 38 38 LYS CB C 38 32.499 32.499 35.672 -3.173 19657 2034 1 7 . 1 1 38 38 LYS H H 38 7.258 7.258 7.685 -0.427 19657 2035 1 7 . 1 1 39 39 ASP N N 39 124.776 124.776 120.754 4.022 19657 2036 1 7 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.511 0.066 19657 2037 1 7 . 1 1 39 39 ASP C C 39 175.068 175.068 176.617 -1.549 19657 2038 1 7 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.443 -0.410 19657 2039 1 7 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.357 -3.903 19657 2040 1 7 . 1 1 39 39 ASP H H 39 8.783 8.783 8.554 0.229 19657 2041 1 7 . 1 1 40 40 ASN N N 40 114.764 114.764 115.600 -0.836 19657 2042 1 7 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.267 -0.005 19657 2043 1 7 . 1 1 40 40 ASN C C 40 171.530 171.530 174.832 -3.302 19657 2044 1 7 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.370 -1.395 19657 2045 1 7 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.366 -4.186 19657 2046 1 7 . 1 1 40 40 ASN H H 40 9.467 9.467 8.404 1.063 19657 2047 1 7 . 1 1 41 41 ASN N N 41 120.183 120.183 115.050 5.133 19657 2048 1 7 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.523 0.152 19657 2049 1 7 . 1 1 41 41 ASN C C 41 171.964 171.964 174.764 -2.800 19657 2050 1 7 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.627 -5.259 19657 2051 1 7 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.735 -3.337 19657 2052 1 7 . 1 1 41 41 ASN H H 41 7.729 7.729 7.930 -0.201 19657 2053 1 7 . 1 1 42 42 LYS N N 42 119.700 119.700 117.512 2.188 19657 2054 1 7 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.254 -0.899 19657 2055 1 7 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.395 -0.845 19657 2056 1 7 . 1 1 42 42 LYS CB C 42 30.627 30.627 36.174 -5.547 19657 2057 1 7 . 1 1 42 42 LYS H H 42 8.496 8.496 8.013 0.483 19657 2058 1 7 . 1 1 43 43 CYS N N 43 113.920 113.920 117.848 -3.928 19657 2059 1 7 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.403 -0.059 19657 2060 1 7 . 1 1 43 43 CYS C C 43 169.725 169.725 173.975 -4.250 19657 2061 1 7 . 1 1 43 43 CYS CA C 43 50.891 50.891 57.073 -6.182 19657 2062 1 7 . 1 1 43 43 CYS H H 43 7.542 7.542 9.148 -1.606 19657 2063 1 7 . 1 1 44 44 THR N N 44 113.141 113.141 114.482 -1.341 19657 2064 1 7 . 1 1 44 44 THR HA H 44 5.229 5.229 5.099 0.130 19657 2065 1 7 . 1 1 44 44 THR C C 44 169.993 169.993 173.150 -3.157 19657 2066 1 7 . 1 1 44 44 THR CA C 44 57.308 57.308 61.185 -3.877 19657 2067 1 7 . 1 1 44 44 THR CB C 44 69.607 69.607 71.526 -1.919 19657 2068 1 7 . 1 1 44 44 THR H H 44 8.987 8.987 9.032 -0.045 19657 2069 1 7 . 1 1 45 45 VAL N N 45 121.909 121.909 122.983 -1.074 19657 2070 1 7 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.631 -0.144 19657 2071 1 7 . 1 1 45 45 VAL C C 45 171.182 171.182 173.822 -2.640 19657 2072 1 7 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.028 -2.959 19657 2073 1 7 . 1 1 45 45 VAL CB C 45 33.384 33.384 34.639 -1.255 19657 2074 1 7 . 1 1 45 45 VAL H H 45 8.571 8.571 8.312 0.259 19657 2075 1 7 . 1 1 46 46 ASP N N 46 126.446 126.446 127.724 -1.278 19657 2076 1 7 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.532 -0.205 19657 2077 1 7 . 1 1 46 46 ASP C C 46 175.630 175.630 177.029 -1.399 19657 2078 1 7 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.856 -3.601 19657 2079 1 7 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.578 -4.527 19657 2080 1 7 . 1 1 46 46 ASP H H 46 8.566 8.566 8.606 -0.040 19657 2081 1 7 . 1 1 47 47 THR N N 47 114.273 114.273 119.268 -4.995 19657 2082 1 7 . 1 1 47 47 THR HA H 47 4.185 4.185 4.404 -0.219 19657 2083 1 7 . 1 1 47 47 THR C C 47 173.322 173.322 175.382 -2.060 19657 2084 1 7 . 1 1 47 47 THR CA C 47 60.559 60.559 63.953 -3.394 19657 2085 1 7 . 1 1 47 47 THR CB C 47 66.582 66.582 69.181 -2.599 19657 2086 1 7 . 1 1 47 47 THR H H 47 9.087 9.087 8.676 0.411 19657 2087 1 7 . 1 1 48 48 TYR N N 48 123.848 123.848 121.260 2.588 19657 2088 1 7 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.367 0.026 19657 2089 1 7 . 1 1 48 48 TYR C C 48 173.776 173.776 176.797 -3.021 19657 2090 1 7 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.926 -3.307 19657 2091 1 7 . 1 1 48 48 TYR CB C 48 35.817 35.817 39.047 -3.230 19657 2092 1 7 . 1 1 48 48 TYR H H 48 8.818 8.818 7.903 0.915 19657 2093 1 7 . 1 1 49 49 ASN N N 49 113.642 113.642 114.130 -0.488 19657 2094 1 7 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.748 -0.283 19657 2095 1 7 . 1 1 49 49 ASN C C 49 172.356 172.356 174.886 -2.530 19657 2096 1 7 . 1 1 49 49 ASN CA C 49 49.231 49.231 53.008 -3.777 19657 2097 1 7 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.579 -4.095 19657 2098 1 7 . 1 1 49 49 ASN H H 49 7.460 7.460 8.236 -0.776 19657 2099 1 7 . 1 1 50 50 ASN N N 50 117.167 117.167 117.919 -0.752 19657 2100 1 7 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.449 -0.259 19657 2101 1 7 . 1 1 50 50 ASN C C 50 170.581 170.581 173.456 -2.875 19657 2102 1 7 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.234 -2.571 19657 2103 1 7 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.012 -2.810 19657 2104 1 7 . 1 1 50 50 ASN H H 50 7.886 7.886 8.007 -0.121 19657 2105 1 7 . 1 1 51 51 ALA N N 51 121.083 121.083 120.301 0.782 19657 2106 1 7 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.611 -0.179 19657 2107 1 7 . 1 1 51 51 ALA C C 51 174.002 174.002 175.942 -1.940 19657 2108 1 7 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.232 -1.629 19657 2109 1 7 . 1 1 51 51 ALA CB C 51 17.688 17.688 20.984 -3.296 19657 2110 1 7 . 1 1 51 51 ALA H H 51 7.843 7.843 7.439 0.404 19657 2111 1 7 . 1 1 52 52 VAL N N 52 125.592 125.592 119.282 6.310 19657 2112 1 7 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.247 -0.348 19657 2113 1 7 . 1 1 52 52 VAL C C 52 171.449 171.449 174.873 -3.424 19657 2114 1 7 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.263 -2.369 19657 2115 1 7 . 1 1 52 52 VAL CB C 52 32.369 32.369 34.505 -2.136 19657 2116 1 7 . 1 1 52 52 VAL H H 52 8.241 8.241 8.285 -0.044 19657 2117 1 7 . 1 1 53 53 ASP N N 53 125.731 125.731 126.497 -0.766 19657 2118 1 7 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.989 -0.066 19657 2119 1 7 . 1 1 53 53 ASP C C 53 172.314 172.314 175.058 -2.744 19657 2120 1 7 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.617 -3.286 19657 2121 1 7 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.873 -4.111 19657 2122 1 7 . 1 1 53 53 ASP H H 53 8.613 8.613 8.948 -0.335 19657 2123 1 7 . 1 1 54 54 CYS N N 54 122.864 122.864 122.241 0.623 19657 2124 1 7 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.664 -0.030 19657 2125 1 7 . 1 1 54 54 CYS C C 54 167.690 167.690 175.051 -7.361 19657 2126 1 7 . 1 1 54 54 CYS CA C 54 51.047 51.047 58.174 -7.127 19657 2127 1 7 . 1 1 54 54 CYS CB C 54 41.549 41.549 29.713 11.836 19657 2128 1 7 . 1 1 54 54 CYS H H 54 8.627 8.627 8.822 -0.195 19657 2129 1 8 . 1 1 2 2 LYS N N 2 119.803 119.803 119.260 0.543 19657 2130 1 8 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.595 0.654 19657 2131 1 8 . 1 1 2 2 LYS C C 2 172.912 172.912 175.403 -2.491 19657 2132 1 8 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.240 -3.051 19657 2133 1 8 . 1 1 2 2 LYS CB C 2 31.708 31.708 33.452 -1.744 19657 2134 1 8 . 1 1 2 2 LYS H H 2 8.180 8.180 7.554 0.626 19657 2135 1 8 . 1 1 3 3 TYR N N 3 122.744 122.744 122.748 -0.004 19657 2136 1 8 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.754 0.042 19657 2137 1 8 . 1 1 3 3 TYR C C 3 172.523 172.523 175.111 -2.588 19657 2138 1 8 . 1 1 3 3 TYR CA C 3 53.741 53.741 56.132 -2.390 19657 2139 1 8 . 1 1 3 3 TYR CB C 3 39.690 39.690 41.035 -1.345 19657 2140 1 8 . 1 1 3 3 TYR H H 3 8.951 8.951 8.553 0.398 19657 2141 1 8 . 1 1 4 4 THR N N 4 117.010 117.010 120.001 -2.991 19657 2142 1 8 . 1 1 4 4 THR HA H 4 5.012 5.012 4.671 0.341 19657 2143 1 8 . 1 1 4 4 THR C C 4 171.489 171.489 174.393 -2.904 19657 2144 1 8 . 1 1 4 4 THR CA C 4 58.808 58.808 61.510 -2.702 19657 2145 1 8 . 1 1 4 4 THR CB C 4 67.837 67.837 69.653 -1.816 19657 2146 1 8 . 1 1 4 4 THR H H 4 8.870 8.870 8.572 0.298 19657 2147 1 8 . 1 1 5 5 GLY N N 5 115.340 115.340 112.631 2.709 19657 2148 1 8 . 1 1 5 5 GLY C C 5 171.505 171.505 172.157 -0.652 19657 2149 1 8 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.667 -2.602 19657 2150 1 8 . 1 1 5 5 GLY H H 5 9.116 9.116 7.961 1.155 19657 2151 1 8 . 1 1 6 6 LYS N N 6 121.120 121.120 119.335 1.785 19657 2152 1 8 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.285 0.104 19657 2153 1 8 . 1 1 6 6 LYS C C 6 174.162 174.162 175.907 -1.745 19657 2154 1 8 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.713 -3.069 19657 2155 1 8 . 1 1 6 6 LYS CB C 6 34.997 34.997 35.943 -0.946 19657 2156 1 8 . 1 1 6 6 LYS H H 6 8.408 8.408 8.054 0.354 19657 2157 1 8 . 1 1 7 7 CYS N N 7 122.530 122.530 119.171 3.359 19657 2158 1 8 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.667 0.665 19657 2159 1 8 . 1 1 7 7 CYS C C 7 169.635 169.635 173.818 -4.183 19657 2160 1 8 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.868 -5.458 19657 2161 1 8 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.509 11.136 19657 2162 1 8 . 1 1 7 7 CYS H H 7 9.795 9.795 8.254 1.541 19657 2163 1 8 . 1 1 8 8 THR N N 8 112.909 112.909 113.298 -0.389 19657 2164 1 8 . 1 1 8 8 THR HA H 8 4.690 4.690 4.620 0.070 19657 2165 1 8 . 1 1 8 8 THR C C 8 172.048 172.048 174.828 -2.780 19657 2166 1 8 . 1 1 8 8 THR CA C 8 57.291 57.291 60.025 -2.734 19657 2167 1 8 . 1 1 8 8 THR CB C 8 68.608 68.608 70.816 -2.208 19657 2168 1 8 . 1 1 8 8 THR H H 8 8.630 8.630 8.154 0.476 19657 2169 1 8 . 1 1 9 9 LYS N N 9 127.151 127.151 124.079 3.072 19657 2170 1 8 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.070 -0.512 19657 2171 1 8 . 1 1 9 9 LYS C C 9 176.697 176.697 176.882 -0.185 19657 2172 1 8 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.701 -1.505 19657 2173 1 8 . 1 1 9 9 LYS CB C 9 31.079 31.079 32.409 -1.330 19657 2174 1 8 . 1 1 9 9 LYS H H 9 8.916 8.916 8.620 0.296 19657 2175 1 8 . 1 1 10 10 SER N N 10 116.323 116.323 114.242 2.081 19657 2176 1 8 . 1 1 10 10 SER C C 10 176.174 176.174 175.402 0.772 19657 2177 1 8 . 1 1 10 10 SER CA C 10 59.045 59.045 60.508 -1.463 19657 2178 1 8 . 1 1 10 10 SER H H 10 9.391 9.391 8.063 1.328 19657 2179 1 8 . 1 1 11 11 LYS N N 11 116.908 116.908 120.180 -3.272 19657 2180 1 8 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.281 -0.130 19657 2181 1 8 . 1 1 11 11 LYS C C 11 173.027 173.027 176.453 -3.426 19657 2182 1 8 . 1 1 11 11 LYS CA C 11 53.362 53.362 56.053 -2.691 19657 2183 1 8 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.481 -1.931 19657 2184 1 8 . 1 1 11 11 LYS H H 11 7.079 7.079 8.254 -1.175 19657 2185 1 8 . 1 1 12 12 ASN N N 12 120.313 120.313 117.937 2.376 19657 2186 1 8 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.525 0.060 19657 2187 1 8 . 1 1 12 12 ASN C C 12 171.411 171.411 173.305 -1.894 19657 2188 1 8 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.217 -3.343 19657 2189 1 8 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.272 -2.789 19657 2190 1 8 . 1 1 12 12 ASN H H 12 7.589 7.589 7.964 -0.375 19657 2191 1 8 . 1 1 13 13 GLU N N 13 114.653 114.653 117.411 -2.758 19657 2192 1 8 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.895 -0.021 19657 2193 1 8 . 1 1 13 13 GLU C C 13 170.929 170.929 174.930 -4.001 19657 2194 1 8 . 1 1 13 13 GLU CA C 13 52.029 52.029 55.030 -3.001 19657 2195 1 8 . 1 1 13 13 GLU CB C 13 33.773 33.773 32.718 1.055 19657 2196 1 8 . 1 1 13 13 GLU H H 13 7.237 7.237 7.734 -0.497 19657 2197 1 8 . 1 1 14 14 CYS N N 14 123.273 123.273 125.387 -2.114 19657 2198 1 8 . 1 1 14 14 CYS HA H 14 4.632 4.632 5.054 -0.422 19657 2199 1 8 . 1 1 14 14 CYS C C 14 168.900 168.900 173.304 -4.404 19657 2200 1 8 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.155 -6.041 19657 2201 1 8 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.686 8.856 19657 2202 1 8 . 1 1 14 14 CYS H H 14 9.637 9.637 9.133 0.504 19657 2203 1 8 . 1 1 15 15 LYS N N 15 111.712 111.712 124.448 -12.736 19657 2204 1 8 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.038 -0.110 19657 2205 1 8 . 1 1 15 15 LYS C C 15 172.655 172.655 174.516 -1.861 19657 2206 1 8 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.038 -3.603 19657 2207 1 8 . 1 1 15 15 LYS CB C 15 31.472 31.472 35.441 -3.969 19657 2208 1 8 . 1 1 15 15 LYS H H 15 8.620 8.620 8.617 0.003 19657 2209 1 8 . 1 1 16 16 TYR N N 16 126.641 126.641 121.237 5.404 19657 2210 1 8 . 1 1 16 16 TYR HA H 16 4.905 4.905 4.959 -0.054 19657 2211 1 8 . 1 1 16 16 TYR C C 16 168.924 168.924 173.454 -4.530 19657 2212 1 8 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.539 -3.446 19657 2213 1 8 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.114 -2.635 19657 2214 1 8 . 1 1 16 16 TYR H H 16 8.993 8.993 8.892 0.101 19657 2215 1 8 . 1 1 17 17 LYS N N 17 120.730 120.730 121.835 -1.105 19657 2216 1 8 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.609 -0.195 19657 2217 1 8 . 1 1 17 17 LYS C C 17 173.386 173.386 176.140 -2.754 19657 2218 1 8 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.283 -3.589 19657 2219 1 8 . 1 1 17 17 LYS CB C 17 30.894 30.894 33.360 -2.466 19657 2220 1 8 . 1 1 17 17 LYS H H 17 8.414 8.414 8.719 -0.305 19657 2221 1 8 . 1 1 18 18 ASN N N 18 122.104 122.104 123.362 -1.258 19657 2222 1 8 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.141 -0.045 19657 2223 1 8 . 1 1 18 18 ASN C C 18 173.990 173.990 176.098 -2.108 19657 2224 1 8 . 1 1 18 18 ASN CA C 18 48.158 48.158 52.276 -4.118 19657 2225 1 8 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.428 -4.285 19657 2226 1 8 . 1 1 18 18 ASN H H 18 7.729 7.729 8.062 -0.333 19657 2227 1 8 . 1 1 19 19 ASP N N 19 117.316 117.316 120.231 -2.915 19657 2228 1 8 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.358 0.015 19657 2229 1 8 . 1 1 19 19 ASP C C 19 173.929 173.929 177.034 -3.105 19657 2230 1 8 . 1 1 19 19 ASP CA C 19 54.265 54.265 57.004 -2.739 19657 2231 1 8 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.447 -3.088 19657 2232 1 8 . 1 1 19 19 ASP H H 19 8.231 8.231 8.717 -0.486 19657 2233 1 8 . 1 1 20 20 ALA N N 20 120.814 120.814 120.177 0.637 19657 2234 1 8 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.225 0.170 19657 2235 1 8 . 1 1 20 20 ALA C C 20 174.854 174.854 178.246 -3.392 19657 2236 1 8 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.695 -3.930 19657 2237 1 8 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.051 -3.038 19657 2238 1 8 . 1 1 20 20 ALA H H 20 7.413 7.413 8.072 -0.659 19657 2239 1 8 . 1 1 21 21 GLY N N 21 126.585 126.585 104.808 21.777 19657 2240 1 8 . 1 1 21 21 GLY C C 21 171.015 171.015 173.854 -2.839 19657 2241 1 8 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.210 -2.383 19657 2242 1 8 . 1 1 21 21 GLY H H 21 8.162 8.162 8.017 0.145 19657 2243 1 8 . 1 1 22 22 LYS N N 22 120.322 120.322 121.551 -1.229 19657 2244 1 8 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.327 -0.010 19657 2245 1 8 . 1 1 22 22 LYS C C 22 174.076 174.076 175.437 -1.361 19657 2246 1 8 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.763 -4.327 19657 2247 1 8 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.230 -2.654 19657 2248 1 8 . 1 1 22 22 LYS H H 22 7.676 7.676 7.735 -0.059 19657 2249 1 8 . 1 1 23 23 ASP N N 23 126.455 126.455 121.925 4.530 19657 2250 1 8 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.559 -0.297 19657 2251 1 8 . 1 1 23 23 ASP C C 23 172.391 172.391 175.776 -3.385 19657 2252 1 8 . 1 1 23 23 ASP CA C 23 52.973 52.973 55.260 -2.287 19657 2253 1 8 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.399 -3.276 19657 2254 1 8 . 1 1 23 23 ASP H H 23 8.619 8.619 8.407 0.212 19657 2255 1 8 . 1 1 24 24 THR N N 24 122.762 122.762 119.142 3.620 19657 2256 1 8 . 1 1 24 24 THR HA H 24 4.009 4.009 4.465 -0.456 19657 2257 1 8 . 1 1 24 24 THR C C 24 167.562 167.562 172.268 -4.706 19657 2258 1 8 . 1 1 24 24 THR CA C 24 59.223 59.223 59.958 -0.735 19657 2259 1 8 . 1 1 24 24 THR CB C 24 67.985 67.985 70.439 -2.454 19657 2260 1 8 . 1 1 24 24 THR H H 24 8.773 8.773 8.901 -0.128 19657 2261 1 8 . 1 1 25 25 PHE N N 25 122.224 122.224 121.877 0.347 19657 2262 1 8 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.158 0.224 19657 2263 1 8 . 1 1 25 25 PHE C C 25 172.781 172.781 173.503 -0.722 19657 2264 1 8 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.059 -1.462 19657 2265 1 8 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.435 -2.191 19657 2266 1 8 . 1 1 25 25 PHE H H 25 8.314 8.314 7.571 0.743 19657 2267 1 8 . 1 1 26 26 ILE N N 26 123.050 123.050 123.017 0.033 19657 2268 1 8 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.546 0.070 19657 2269 1 8 . 1 1 26 26 ILE C C 26 170.373 170.373 173.978 -3.605 19657 2270 1 8 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.124 -2.280 19657 2271 1 8 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.779 -3.304 19657 2272 1 8 . 1 1 26 26 ILE H H 26 9.093 9.093 8.817 0.276 19657 2273 1 8 . 1 1 27 27 LYS N N 27 126.928 126.928 124.486 2.442 19657 2274 1 8 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.652 -0.461 19657 2275 1 8 . 1 1 27 27 LYS C C 27 174.551 174.551 175.230 -0.679 19657 2276 1 8 . 1 1 27 27 LYS CA C 27 55.166 55.166 54.591 0.575 19657 2277 1 8 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.779 -3.199 19657 2278 1 8 . 1 1 27 27 LYS H H 27 8.309 8.309 8.207 0.102 19657 2279 1 8 . 1 1 28 28 CYS N N 28 119.357 119.357 122.303 -2.946 19657 2280 1 8 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.769 -0.197 19657 2281 1 8 . 1 1 28 28 CYS C C 28 169.287 169.287 173.303 -4.016 19657 2282 1 8 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.315 -4.774 19657 2283 1 8 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.050 10.537 19657 2284 1 8 . 1 1 28 28 CYS H H 28 8.414 8.414 8.499 -0.085 19657 2285 1 8 . 1 1 30 30 LYS N N 30 116.481 116.481 117.396 -0.915 19657 2286 1 8 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.260 -0.304 19657 2287 1 8 . 1 1 30 30 LYS C C 30 173.819 173.819 176.569 -2.750 19657 2288 1 8 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.240 -2.744 19657 2289 1 8 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.094 -2.004 19657 2290 1 8 . 1 1 30 30 LYS H H 30 8.004 8.004 8.221 -0.217 19657 2291 1 8 . 1 1 31 31 PHE N N 31 116.963 116.963 118.899 -1.936 19657 2292 1 8 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.496 -0.019 19657 2293 1 8 . 1 1 31 31 PHE C C 31 173.518 173.518 177.084 -3.566 19657 2294 1 8 . 1 1 31 31 PHE CA C 31 54.044 54.044 57.819 -3.775 19657 2295 1 8 . 1 1 31 31 PHE CB C 31 37.643 37.643 39.479 -1.836 19657 2296 1 8 . 1 1 31 31 PHE H H 31 6.424 6.424 7.520 -1.096 19657 2297 1 8 . 1 1 32 32 ASP N N 32 121.612 121.612 121.760 -0.148 19657 2298 1 8 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.440 -0.304 19657 2299 1 8 . 1 1 32 32 ASP C C 32 173.688 173.688 177.087 -3.399 19657 2300 1 8 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.554 -1.761 19657 2301 1 8 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.748 -2.856 19657 2302 1 8 . 1 1 32 32 ASP H H 32 8.800 8.800 8.916 -0.116 19657 2303 1 8 . 1 1 33 33 ASN N N 33 113.168 113.168 116.394 -3.226 19657 2304 1 8 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.569 -0.006 19657 2305 1 8 . 1 1 33 33 ASN C C 33 172.656 172.656 175.243 -2.587 19657 2306 1 8 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.794 -3.432 19657 2307 1 8 . 1 1 33 33 ASN CB C 33 34.754 34.754 39.050 -4.296 19657 2308 1 8 . 1 1 33 33 ASN H H 33 8.455 8.455 8.235 0.220 19657 2309 1 8 . 1 1 34 34 LYS N N 34 117.622 117.622 117.681 -0.059 19657 2310 1 8 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.501 0.363 19657 2311 1 8 . 1 1 34 34 LYS C C 34 171.666 171.666 174.079 -2.413 19657 2312 1 8 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.131 -3.983 19657 2313 1 8 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.010 -2.197 19657 2314 1 8 . 1 1 34 34 LYS H H 34 7.676 7.676 7.660 0.016 19657 2315 1 8 . 1 1 35 35 LYS N N 35 116.880 116.880 120.548 -3.668 19657 2316 1 8 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.584 -0.085 19657 2317 1 8 . 1 1 35 35 LYS C C 35 172.133 172.133 174.637 -2.504 19657 2318 1 8 . 1 1 35 35 LYS CA C 35 52.155 52.155 55.165 -3.010 19657 2319 1 8 . 1 1 35 35 LYS CB C 35 30.775 30.775 36.782 -6.007 19657 2320 1 8 . 1 1 35 35 LYS H H 35 6.927 6.927 7.935 -1.008 19657 2321 1 8 . 1 1 36 36 CYS N N 36 117.678 117.678 119.309 -1.631 19657 2322 1 8 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.833 -0.146 19657 2323 1 8 . 1 1 36 36 CYS C C 36 174.909 174.909 176.753 -1.844 19657 2324 1 8 . 1 1 36 36 CYS CA C 36 53.356 53.356 58.347 -4.992 19657 2325 1 8 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.291 12.412 19657 2326 1 8 . 1 1 36 36 CYS H H 36 8.572 8.572 8.766 -0.194 19657 2327 1 8 . 1 1 37 37 THR N N 37 121.872 121.872 117.694 4.178 19657 2328 1 8 . 1 1 37 37 THR HA H 37 4.219 4.219 4.198 0.021 19657 2329 1 8 . 1 1 37 37 THR C C 37 172.565 172.565 173.962 -1.397 19657 2330 1 8 . 1 1 37 37 THR CA C 37 60.478 60.478 63.595 -3.117 19657 2331 1 8 . 1 1 37 37 THR CB C 37 68.235 68.235 69.764 -1.530 19657 2332 1 8 . 1 1 37 37 THR H H 37 10.105 10.105 8.328 1.777 19657 2333 1 8 . 1 1 38 38 LYS N N 38 122.020 122.020 118.775 3.245 19657 2334 1 8 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.507 -0.352 19657 2335 1 8 . 1 1 38 38 LYS C C 38 170.713 170.713 174.323 -3.610 19657 2336 1 8 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.665 -0.800 19657 2337 1 8 . 1 1 38 38 LYS CB C 38 32.499 32.499 36.312 -3.813 19657 2338 1 8 . 1 1 38 38 LYS H H 38 7.258 7.258 7.515 -0.257 19657 2339 1 8 . 1 1 39 39 ASP N N 39 124.776 124.776 119.309 5.467 19657 2340 1 8 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.781 -0.204 19657 2341 1 8 . 1 1 39 39 ASP C C 39 175.068 175.068 176.578 -1.510 19657 2342 1 8 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.186 -0.153 19657 2343 1 8 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.543 -4.089 19657 2344 1 8 . 1 1 39 39 ASP H H 39 8.783 8.783 8.376 0.407 19657 2345 1 8 . 1 1 40 40 ASN N N 40 114.764 114.764 116.833 -2.069 19657 2346 1 8 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.229 0.033 19657 2347 1 8 . 1 1 40 40 ASN C C 40 171.530 171.530 174.610 -3.080 19657 2348 1 8 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.533 -1.558 19657 2349 1 8 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.349 -4.169 19657 2350 1 8 . 1 1 40 40 ASN H H 40 9.467 9.467 8.428 1.039 19657 2351 1 8 . 1 1 41 41 ASN N N 41 120.183 120.183 115.481 4.702 19657 2352 1 8 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.575 0.100 19657 2353 1 8 . 1 1 41 41 ASN C C 41 171.964 171.964 174.766 -2.802 19657 2354 1 8 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.459 -5.090 19657 2355 1 8 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.527 -3.129 19657 2356 1 8 . 1 1 41 41 ASN H H 41 7.729 7.729 7.610 0.119 19657 2357 1 8 . 1 1 42 42 LYS N N 42 119.700 119.700 117.998 1.702 19657 2358 1 8 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.214 -0.859 19657 2359 1 8 . 1 1 42 42 LYS CA C 42 54.550 54.550 54.839 -0.289 19657 2360 1 8 . 1 1 42 42 LYS CB C 42 30.627 30.627 35.816 -5.189 19657 2361 1 8 . 1 1 42 42 LYS H H 42 8.496 8.496 8.409 0.087 19657 2362 1 8 . 1 1 43 43 CYS N N 43 113.920 113.920 118.479 -4.559 19657 2363 1 8 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.352 -0.008 19657 2364 1 8 . 1 1 43 43 CYS C C 43 169.725 169.725 173.497 -3.772 19657 2365 1 8 . 1 1 43 43 CYS CA C 43 50.891 50.891 56.039 -5.148 19657 2366 1 8 . 1 1 43 43 CYS H H 43 7.542 7.542 9.257 -1.715 19657 2367 1 8 . 1 1 44 44 THR N N 44 113.141 113.141 115.094 -1.953 19657 2368 1 8 . 1 1 44 44 THR HA H 44 5.229 5.229 5.119 0.110 19657 2369 1 8 . 1 1 44 44 THR C C 44 169.993 169.993 173.213 -3.220 19657 2370 1 8 . 1 1 44 44 THR CA C 44 57.308 57.308 61.265 -3.957 19657 2371 1 8 . 1 1 44 44 THR CB C 44 69.607 69.607 71.258 -1.651 19657 2372 1 8 . 1 1 44 44 THR H H 44 8.987 8.987 8.865 0.122 19657 2373 1 8 . 1 1 45 45 VAL N N 45 121.909 121.909 123.624 -1.715 19657 2374 1 8 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.563 -0.076 19657 2375 1 8 . 1 1 45 45 VAL C C 45 171.182 171.182 173.340 -2.158 19657 2376 1 8 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.400 -3.330 19657 2377 1 8 . 1 1 45 45 VAL CB C 45 33.384 33.384 35.444 -2.060 19657 2378 1 8 . 1 1 45 45 VAL H H 45 8.571 8.571 8.095 0.476 19657 2379 1 8 . 1 1 46 46 ASP N N 46 126.446 126.446 125.638 0.808 19657 2380 1 8 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.406 -0.079 19657 2381 1 8 . 1 1 46 46 ASP C C 46 175.630 175.630 176.825 -1.195 19657 2382 1 8 . 1 1 46 46 ASP CA C 46 49.255 49.255 51.264 -2.009 19657 2383 1 8 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.730 -4.679 19657 2384 1 8 . 1 1 46 46 ASP H H 46 8.566 8.566 8.277 0.289 19657 2385 1 8 . 1 1 47 47 THR N N 47 114.273 114.273 120.172 -5.899 19657 2386 1 8 . 1 1 47 47 THR HA H 47 4.185 4.185 4.327 -0.142 19657 2387 1 8 . 1 1 47 47 THR C C 47 173.322 173.322 175.667 -2.345 19657 2388 1 8 . 1 1 47 47 THR CA C 47 60.559 60.559 64.098 -3.539 19657 2389 1 8 . 1 1 47 47 THR CB C 47 66.582 66.582 69.269 -2.687 19657 2390 1 8 . 1 1 47 47 THR H H 47 9.087 9.087 8.132 0.955 19657 2391 1 8 . 1 1 48 48 TYR N N 48 123.848 123.848 121.630 2.218 19657 2392 1 8 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.380 0.013 19657 2393 1 8 . 1 1 48 48 TYR C C 48 173.776 173.776 177.024 -3.248 19657 2394 1 8 . 1 1 48 48 TYR CA C 48 57.619 57.619 61.310 -3.691 19657 2395 1 8 . 1 1 48 48 TYR CB C 48 35.817 35.817 39.112 -3.295 19657 2396 1 8 . 1 1 48 48 TYR H H 48 8.818 8.818 8.810 0.008 19657 2397 1 8 . 1 1 49 49 ASN N N 49 113.642 113.642 114.535 -0.893 19657 2398 1 8 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.816 -0.351 19657 2399 1 8 . 1 1 49 49 ASN C C 49 172.356 172.356 174.371 -2.015 19657 2400 1 8 . 1 1 49 49 ASN CA C 49 49.231 49.231 53.112 -3.881 19657 2401 1 8 . 1 1 49 49 ASN CB C 49 34.484 34.484 39.287 -4.803 19657 2402 1 8 . 1 1 49 49 ASN H H 49 7.460 7.460 7.920 -0.460 19657 2403 1 8 . 1 1 50 50 ASN N N 50 117.167 117.167 115.635 1.532 19657 2404 1 8 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.424 -0.234 19657 2405 1 8 . 1 1 50 50 ASN C C 50 170.581 170.581 173.507 -2.926 19657 2406 1 8 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.422 -2.759 19657 2407 1 8 . 1 1 50 50 ASN CB C 50 34.202 34.202 36.911 -2.709 19657 2408 1 8 . 1 1 50 50 ASN H H 50 7.886 7.886 7.925 -0.039 19657 2409 1 8 . 1 1 51 51 ALA N N 51 121.083 121.083 120.470 0.613 19657 2410 1 8 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.570 -0.138 19657 2411 1 8 . 1 1 51 51 ALA C C 51 174.002 174.002 175.597 -1.595 19657 2412 1 8 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.365 -1.762 19657 2413 1 8 . 1 1 51 51 ALA CB C 51 17.688 17.688 20.233 -2.545 19657 2414 1 8 . 1 1 51 51 ALA H H 51 7.843 7.843 7.555 0.288 19657 2415 1 8 . 1 1 52 52 VAL N N 52 125.592 125.592 123.936 1.656 19657 2416 1 8 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.083 -0.184 19657 2417 1 8 . 1 1 52 52 VAL C C 52 171.449 171.449 174.074 -2.625 19657 2418 1 8 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.310 -2.417 19657 2419 1 8 . 1 1 52 52 VAL CB C 52 32.369 32.369 34.438 -2.069 19657 2420 1 8 . 1 1 52 52 VAL H H 52 8.241 8.241 8.459 -0.218 19657 2421 1 8 . 1 1 53 53 ASP N N 53 125.731 125.731 128.017 -2.286 19657 2422 1 8 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.990 -0.067 19657 2423 1 8 . 1 1 53 53 ASP C C 53 172.314 172.314 174.475 -2.161 19657 2424 1 8 . 1 1 53 53 ASP CA C 53 50.331 50.331 52.911 -2.580 19657 2425 1 8 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.686 -3.924 19657 2426 1 8 . 1 1 53 53 ASP H H 53 8.613 8.613 8.831 -0.218 19657 2427 1 8 . 1 1 54 54 CYS N N 54 122.864 122.864 122.981 -0.117 19657 2428 1 8 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.602 0.032 19657 2429 1 8 . 1 1 54 54 CYS C C 54 167.690 167.690 174.922 -7.232 19657 2430 1 8 . 1 1 54 54 CYS CA C 54 51.047 51.047 58.310 -7.263 19657 2431 1 8 . 1 1 54 54 CYS CB C 54 41.549 41.549 30.254 11.295 19657 2432 1 8 . 1 1 54 54 CYS H H 54 8.627 8.627 8.804 -0.177 19657 2433 1 9 . 1 1 2 2 LYS N N 2 119.803 119.803 120.126 -0.323 19657 2434 1 9 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.408 0.841 19657 2435 1 9 . 1 1 2 2 LYS C C 2 172.912 172.912 175.183 -2.271 19657 2436 1 9 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.450 -3.261 19657 2437 1 9 . 1 1 2 2 LYS CB C 2 31.708 31.708 32.176 -0.468 19657 2438 1 9 . 1 1 2 2 LYS H H 2 8.180 8.180 7.438 0.742 19657 2439 1 9 . 1 1 3 3 TYR N N 3 122.744 122.744 126.233 -3.489 19657 2440 1 9 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.704 0.092 19657 2441 1 9 . 1 1 3 3 TYR C C 3 172.523 172.523 175.085 -2.562 19657 2442 1 9 . 1 1 3 3 TYR CA C 3 53.741 53.741 56.979 -3.238 19657 2443 1 9 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.147 -0.457 19657 2444 1 9 . 1 1 3 3 TYR H H 3 8.951 8.951 7.985 0.966 19657 2445 1 9 . 1 1 4 4 THR N N 4 117.010 117.010 119.449 -2.439 19657 2446 1 9 . 1 1 4 4 THR HA H 4 5.012 5.012 4.699 0.313 19657 2447 1 9 . 1 1 4 4 THR C C 4 171.489 171.489 173.938 -2.449 19657 2448 1 9 . 1 1 4 4 THR CA C 4 58.808 58.808 60.917 -2.110 19657 2449 1 9 . 1 1 4 4 THR CB C 4 67.837 67.837 69.708 -1.871 19657 2450 1 9 . 1 1 4 4 THR H H 4 8.870 8.870 8.620 0.250 19657 2451 1 9 . 1 1 5 5 GLY N N 5 115.340 115.340 111.809 3.531 19657 2452 1 9 . 1 1 5 5 GLY C C 5 171.505 171.505 172.049 -0.544 19657 2453 1 9 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.661 -2.595 19657 2454 1 9 . 1 1 5 5 GLY H H 5 9.116 9.116 8.007 1.109 19657 2455 1 9 . 1 1 6 6 LYS N N 6 121.120 121.120 120.016 1.104 19657 2456 1 9 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.244 0.145 19657 2457 1 9 . 1 1 6 6 LYS C C 6 174.162 174.162 175.892 -1.730 19657 2458 1 9 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.908 -3.264 19657 2459 1 9 . 1 1 6 6 LYS CB C 6 34.997 34.997 35.770 -0.773 19657 2460 1 9 . 1 1 6 6 LYS H H 6 8.408 8.408 8.247 0.161 19657 2461 1 9 . 1 1 7 7 CYS N N 7 122.530 122.530 119.641 2.889 19657 2462 1 9 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.702 0.630 19657 2463 1 9 . 1 1 7 7 CYS C C 7 169.635 169.635 173.750 -4.115 19657 2464 1 9 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.698 -5.288 19657 2465 1 9 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.486 11.159 19657 2466 1 9 . 1 1 7 7 CYS H H 7 9.795 9.795 7.981 1.814 19657 2467 1 9 . 1 1 8 8 THR N N 8 112.909 112.909 113.795 -0.886 19657 2468 1 9 . 1 1 8 8 THR HA H 8 4.690 4.690 4.859 -0.170 19657 2469 1 9 . 1 1 8 8 THR C C 8 172.048 172.048 175.188 -3.140 19657 2470 1 9 . 1 1 8 8 THR CA C 8 57.291 57.291 60.149 -2.858 19657 2471 1 9 . 1 1 8 8 THR CB C 8 68.608 68.608 71.914 -3.306 19657 2472 1 9 . 1 1 8 8 THR H H 8 8.630 8.630 7.940 0.690 19657 2473 1 9 . 1 1 9 9 LYS N N 9 127.151 127.151 123.118 4.033 19657 2474 1 9 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.279 -0.721 19657 2475 1 9 . 1 1 9 9 LYS C C 9 176.697 176.697 176.649 0.048 19657 2476 1 9 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.292 -1.096 19657 2477 1 9 . 1 1 9 9 LYS CB C 9 31.079 31.079 31.978 -0.899 19657 2478 1 9 . 1 1 9 9 LYS H H 9 8.916 8.916 8.654 0.262 19657 2479 1 9 . 1 1 10 10 SER N N 10 116.323 116.323 114.221 2.102 19657 2480 1 9 . 1 1 10 10 SER C C 10 176.174 176.174 175.588 0.586 19657 2481 1 9 . 1 1 10 10 SER CA C 10 59.045 59.045 60.364 -1.319 19657 2482 1 9 . 1 1 10 10 SER H H 10 9.391 9.391 8.022 1.369 19657 2483 1 9 . 1 1 11 11 LYS N N 11 116.908 116.908 121.112 -4.204 19657 2484 1 9 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.264 -0.113 19657 2485 1 9 . 1 1 11 11 LYS C C 11 173.027 173.027 176.439 -3.412 19657 2486 1 9 . 1 1 11 11 LYS CA C 11 53.362 53.362 56.060 -2.698 19657 2487 1 9 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.408 -1.859 19657 2488 1 9 . 1 1 11 11 LYS H H 11 7.079 7.079 7.918 -0.839 19657 2489 1 9 . 1 1 12 12 ASN N N 12 120.313 120.313 117.210 3.103 19657 2490 1 9 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.520 0.065 19657 2491 1 9 . 1 1 12 12 ASN C C 12 171.411 171.411 173.161 -1.750 19657 2492 1 9 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.419 -3.545 19657 2493 1 9 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.694 -3.211 19657 2494 1 9 . 1 1 12 12 ASN H H 12 7.589 7.589 7.987 -0.398 19657 2495 1 9 . 1 1 13 13 GLU N N 13 114.653 114.653 116.816 -2.163 19657 2496 1 9 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.839 0.035 19657 2497 1 9 . 1 1 13 13 GLU C C 13 170.929 170.929 174.513 -3.584 19657 2498 1 9 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.620 -2.591 19657 2499 1 9 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.501 0.272 19657 2500 1 9 . 1 1 13 13 GLU H H 13 7.237 7.237 7.776 -0.539 19657 2501 1 9 . 1 1 14 14 CYS N N 14 123.273 123.273 123.835 -0.562 19657 2502 1 9 . 1 1 14 14 CYS HA H 14 4.632 4.632 4.997 -0.365 19657 2503 1 9 . 1 1 14 14 CYS C C 14 168.900 168.900 173.330 -4.430 19657 2504 1 9 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.111 -5.997 19657 2505 1 9 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.412 9.130 19657 2506 1 9 . 1 1 14 14 CYS H H 14 9.637 9.637 9.155 0.482 19657 2507 1 9 . 1 1 15 15 LYS N N 15 111.712 111.712 123.226 -11.514 19657 2508 1 9 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.444 -0.516 19657 2509 1 9 . 1 1 15 15 LYS C C 15 172.655 172.655 174.679 -2.024 19657 2510 1 9 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.116 -3.681 19657 2511 1 9 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.208 -2.736 19657 2512 1 9 . 1 1 15 15 LYS H H 15 8.620 8.620 8.461 0.159 19657 2513 1 9 . 1 1 16 16 TYR N N 16 126.641 126.641 120.305 6.336 19657 2514 1 9 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.038 -0.133 19657 2515 1 9 . 1 1 16 16 TYR C C 16 168.924 168.924 173.560 -4.636 19657 2516 1 9 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.519 -3.426 19657 2517 1 9 . 1 1 16 16 TYR CB C 16 38.479 38.479 42.121 -3.642 19657 2518 1 9 . 1 1 16 16 TYR H H 16 8.993 8.993 9.161 -0.168 19657 2519 1 9 . 1 1 17 17 LYS N N 17 120.730 120.730 122.152 -1.422 19657 2520 1 9 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.782 -0.368 19657 2521 1 9 . 1 1 17 17 LYS C C 17 173.386 173.386 176.180 -2.794 19657 2522 1 9 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.175 -3.482 19657 2523 1 9 . 1 1 17 17 LYS CB C 17 30.894 30.894 33.736 -2.842 19657 2524 1 9 . 1 1 17 17 LYS H H 17 8.414 8.414 8.756 -0.342 19657 2525 1 9 . 1 1 18 18 ASN N N 18 122.104 122.104 122.892 -0.788 19657 2526 1 9 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.060 0.036 19657 2527 1 9 . 1 1 18 18 ASN C C 18 173.990 173.990 176.361 -2.371 19657 2528 1 9 . 1 1 18 18 ASN CA C 18 48.158 48.158 51.425 -3.267 19657 2529 1 9 . 1 1 18 18 ASN CB C 18 35.143 35.143 38.886 -3.743 19657 2530 1 9 . 1 1 18 18 ASN H H 18 7.729 7.729 7.787 -0.058 19657 2531 1 9 . 1 1 19 19 ASP N N 19 117.316 117.316 120.136 -2.820 19657 2532 1 9 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.517 -0.144 19657 2533 1 9 . 1 1 19 19 ASP C C 19 173.929 173.929 176.903 -2.974 19657 2534 1 9 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.691 -2.426 19657 2535 1 9 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.387 -3.028 19657 2536 1 9 . 1 1 19 19 ASP H H 19 8.231 8.231 8.698 -0.467 19657 2537 1 9 . 1 1 20 20 ALA N N 20 120.814 120.814 119.806 1.008 19657 2538 1 9 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.276 0.119 19657 2539 1 9 . 1 1 20 20 ALA C C 20 174.854 174.854 178.492 -3.638 19657 2540 1 9 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.495 -3.730 19657 2541 1 9 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.037 -3.024 19657 2542 1 9 . 1 1 20 20 ALA H H 20 7.413 7.413 8.143 -0.730 19657 2543 1 9 . 1 1 21 21 GLY N N 21 126.585 126.585 105.960 20.625 19657 2544 1 9 . 1 1 21 21 GLY C C 21 171.015 171.015 174.991 -3.976 19657 2545 1 9 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.248 -2.421 19657 2546 1 9 . 1 1 21 21 GLY H H 21 8.162 8.162 8.057 0.105 19657 2547 1 9 . 1 1 22 22 LYS N N 22 120.322 120.322 121.863 -1.541 19657 2548 1 9 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.325 -0.008 19657 2549 1 9 . 1 1 22 22 LYS C C 22 174.076 174.076 174.976 -0.900 19657 2550 1 9 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.974 -4.538 19657 2551 1 9 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.572 -2.996 19657 2552 1 9 . 1 1 22 22 LYS H H 22 7.676 7.676 7.723 -0.047 19657 2553 1 9 . 1 1 23 23 ASP N N 23 126.455 126.455 120.620 5.835 19657 2554 1 9 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.550 -0.288 19657 2555 1 9 . 1 1 23 23 ASP C C 23 172.391 172.391 175.792 -3.401 19657 2556 1 9 . 1 1 23 23 ASP CA C 23 52.973 52.973 55.030 -2.057 19657 2557 1 9 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.578 -3.454 19657 2558 1 9 . 1 1 23 23 ASP H H 23 8.619 8.619 8.480 0.139 19657 2559 1 9 . 1 1 24 24 THR N N 24 122.762 122.762 120.852 1.910 19657 2560 1 9 . 1 1 24 24 THR HA H 24 4.009 4.009 4.412 -0.403 19657 2561 1 9 . 1 1 24 24 THR C C 24 167.562 167.562 172.946 -5.384 19657 2562 1 9 . 1 1 24 24 THR CA C 24 59.223 59.223 60.816 -1.593 19657 2563 1 9 . 1 1 24 24 THR CB C 24 67.985 67.985 69.799 -1.814 19657 2564 1 9 . 1 1 24 24 THR H H 24 8.773 8.773 8.778 -0.005 19657 2565 1 9 . 1 1 25 25 PHE N N 25 122.224 122.224 125.224 -3.000 19657 2566 1 9 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.498 -0.117 19657 2567 1 9 . 1 1 25 25 PHE C C 25 172.781 172.781 174.243 -1.462 19657 2568 1 9 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.487 -1.891 19657 2569 1 9 . 1 1 25 25 PHE CB C 25 39.245 39.245 40.749 -1.504 19657 2570 1 9 . 1 1 25 25 PHE H H 25 8.314 8.314 7.719 0.595 19657 2571 1 9 . 1 1 26 26 ILE N N 26 123.050 123.050 125.223 -2.173 19657 2572 1 9 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.566 0.050 19657 2573 1 9 . 1 1 26 26 ILE C C 26 170.373 170.373 174.257 -3.884 19657 2574 1 9 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.418 -2.574 19657 2575 1 9 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.864 -3.389 19657 2576 1 9 . 1 1 26 26 ILE H H 26 9.093 9.093 8.994 0.099 19657 2577 1 9 . 1 1 27 27 LYS N N 27 126.928 126.928 125.462 1.466 19657 2578 1 9 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.315 -0.124 19657 2579 1 9 . 1 1 27 27 LYS C C 27 174.551 174.551 175.859 -1.308 19657 2580 1 9 . 1 1 27 27 LYS CA C 27 55.166 55.166 55.837 -0.671 19657 2581 1 9 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.109 -2.529 19657 2582 1 9 . 1 1 27 27 LYS H H 27 8.309 8.309 8.223 0.086 19657 2583 1 9 . 1 1 28 28 CYS N N 28 119.357 119.357 122.001 -2.644 19657 2584 1 9 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.921 -0.349 19657 2585 1 9 . 1 1 28 28 CYS C C 28 169.287 169.287 173.032 -3.745 19657 2586 1 9 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.506 -4.965 19657 2587 1 9 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.172 10.415 19657 2588 1 9 . 1 1 28 28 CYS H H 28 8.414 8.414 8.567 -0.153 19657 2589 1 9 . 1 1 30 30 LYS N N 30 116.481 116.481 119.942 -3.461 19657 2590 1 9 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.343 -0.387 19657 2591 1 9 . 1 1 30 30 LYS C C 30 173.819 173.819 176.347 -2.528 19657 2592 1 9 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.349 -2.852 19657 2593 1 9 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.300 -2.210 19657 2594 1 9 . 1 1 30 30 LYS H H 30 8.004 8.004 8.451 -0.447 19657 2595 1 9 . 1 1 31 31 PHE N N 31 116.963 116.963 119.204 -2.241 19657 2596 1 9 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.518 -0.041 19657 2597 1 9 . 1 1 31 31 PHE C C 31 173.518 173.518 176.697 -3.179 19657 2598 1 9 . 1 1 31 31 PHE CA C 31 54.044 54.044 58.208 -4.164 19657 2599 1 9 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.204 -2.561 19657 2600 1 9 . 1 1 31 31 PHE H H 31 6.424 6.424 7.877 -1.453 19657 2601 1 9 . 1 1 32 32 ASP N N 32 121.612 121.612 121.152 0.460 19657 2602 1 9 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.469 -0.333 19657 2603 1 9 . 1 1 32 32 ASP C C 32 173.688 173.688 177.078 -3.390 19657 2604 1 9 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.246 -1.453 19657 2605 1 9 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.728 -2.836 19657 2606 1 9 . 1 1 32 32 ASP H H 32 8.800 8.800 8.847 -0.047 19657 2607 1 9 . 1 1 33 33 ASN N N 33 113.168 113.168 117.422 -4.254 19657 2608 1 9 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.663 -0.100 19657 2609 1 9 . 1 1 33 33 ASN C C 33 172.656 172.656 175.083 -2.427 19657 2610 1 9 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.388 -3.026 19657 2611 1 9 . 1 1 33 33 ASN CB C 33 34.754 34.754 38.927 -4.173 19657 2612 1 9 . 1 1 33 33 ASN H H 33 8.455 8.455 8.634 -0.179 19657 2613 1 9 . 1 1 34 34 LYS N N 34 117.622 117.622 117.514 0.108 19657 2614 1 9 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.642 0.222 19657 2615 1 9 . 1 1 34 34 LYS C C 34 171.666 171.666 173.722 -2.056 19657 2616 1 9 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.088 -3.940 19657 2617 1 9 . 1 1 34 34 LYS CB C 34 32.813 32.813 34.900 -2.087 19657 2618 1 9 . 1 1 34 34 LYS H H 34 7.676 7.676 7.635 0.041 19657 2619 1 9 . 1 1 35 35 LYS N N 35 116.880 116.880 117.834 -0.954 19657 2620 1 9 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.649 -0.150 19657 2621 1 9 . 1 1 35 35 LYS C C 35 172.133 172.133 173.910 -1.777 19657 2622 1 9 . 1 1 35 35 LYS CA C 35 52.155 52.155 55.201 -3.046 19657 2623 1 9 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.425 -4.650 19657 2624 1 9 . 1 1 35 35 LYS H H 35 6.927 6.927 7.783 -0.856 19657 2625 1 9 . 1 1 36 36 CYS N N 36 117.678 117.678 119.579 -1.901 19657 2626 1 9 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.820 -0.133 19657 2627 1 9 . 1 1 36 36 CYS C C 36 174.909 174.909 176.837 -1.928 19657 2628 1 9 . 1 1 36 36 CYS CA C 36 53.356 53.356 58.450 -5.094 19657 2629 1 9 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.735 11.968 19657 2630 1 9 . 1 1 36 36 CYS H H 36 8.572 8.572 8.717 -0.145 19657 2631 1 9 . 1 1 37 37 THR N N 37 121.872 121.872 118.136 3.736 19657 2632 1 9 . 1 1 37 37 THR HA H 37 4.219 4.219 4.386 -0.167 19657 2633 1 9 . 1 1 37 37 THR C C 37 172.565 172.565 174.594 -2.029 19657 2634 1 9 . 1 1 37 37 THR CA C 37 60.478 60.478 62.910 -2.433 19657 2635 1 9 . 1 1 37 37 THR CB C 37 68.235 68.235 69.535 -1.300 19657 2636 1 9 . 1 1 37 37 THR H H 37 10.105 10.105 8.645 1.460 19657 2637 1 9 . 1 1 38 38 LYS N N 38 122.020 122.020 121.532 0.488 19657 2638 1 9 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.639 -0.484 19657 2639 1 9 . 1 1 38 38 LYS C C 38 170.713 170.713 174.626 -3.913 19657 2640 1 9 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.397 -0.532 19657 2641 1 9 . 1 1 38 38 LYS CB C 38 32.499 32.499 35.916 -3.417 19657 2642 1 9 . 1 1 38 38 LYS H H 38 7.258 7.258 7.679 -0.421 19657 2643 1 9 . 1 1 39 39 ASP N N 39 124.776 124.776 119.179 5.597 19657 2644 1 9 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.646 -0.069 19657 2645 1 9 . 1 1 39 39 ASP C C 39 175.068 175.068 176.301 -1.233 19657 2646 1 9 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.197 -0.164 19657 2647 1 9 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.421 -3.967 19657 2648 1 9 . 1 1 39 39 ASP H H 39 8.783 8.783 8.368 0.415 19657 2649 1 9 . 1 1 40 40 ASN N N 40 114.764 114.764 115.702 -0.938 19657 2650 1 9 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.300 -0.038 19657 2651 1 9 . 1 1 40 40 ASN C C 40 171.530 171.530 174.568 -3.038 19657 2652 1 9 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.361 -1.386 19657 2653 1 9 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.459 -4.279 19657 2654 1 9 . 1 1 40 40 ASN H H 40 9.467 9.467 8.599 0.868 19657 2655 1 9 . 1 1 41 41 ASN N N 41 120.183 120.183 116.423 3.760 19657 2656 1 9 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.525 0.150 19657 2657 1 9 . 1 1 41 41 ASN C C 41 171.964 171.964 175.072 -3.108 19657 2658 1 9 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.436 -5.068 19657 2659 1 9 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.527 -3.129 19657 2660 1 9 . 1 1 41 41 ASN H H 41 7.729 7.729 7.876 -0.147 19657 2661 1 9 . 1 1 42 42 LYS N N 42 119.700 119.700 118.389 1.311 19657 2662 1 9 . 1 1 42 42 LYS HA H 42 4.355 4.355 4.970 -0.615 19657 2663 1 9 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.034 -0.484 19657 2664 1 9 . 1 1 42 42 LYS CB C 42 30.627 30.627 35.272 -4.645 19657 2665 1 9 . 1 1 42 42 LYS H H 42 8.496 8.496 8.156 0.340 19657 2666 1 9 . 1 1 43 43 CYS N N 43 113.920 113.920 120.716 -6.796 19657 2667 1 9 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.591 -0.247 19657 2668 1 9 . 1 1 43 43 CYS C C 43 169.725 169.725 173.412 -3.687 19657 2669 1 9 . 1 1 43 43 CYS CA C 43 50.891 50.891 55.435 -4.544 19657 2670 1 9 . 1 1 43 43 CYS H H 43 7.542 7.542 9.294 -1.752 19657 2671 1 9 . 1 1 44 44 THR N N 44 113.141 113.141 113.075 0.066 19657 2672 1 9 . 1 1 44 44 THR HA H 44 5.229 5.229 5.092 0.137 19657 2673 1 9 . 1 1 44 44 THR C C 44 169.993 169.993 173.483 -3.490 19657 2674 1 9 . 1 1 44 44 THR CA C 44 57.308 57.308 61.161 -3.853 19657 2675 1 9 . 1 1 44 44 THR CB C 44 69.607 69.607 72.021 -2.414 19657 2676 1 9 . 1 1 44 44 THR H H 44 8.987 8.987 8.642 0.345 19657 2677 1 9 . 1 1 45 45 VAL N N 45 121.909 121.909 121.856 0.053 19657 2678 1 9 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.794 -0.307 19657 2679 1 9 . 1 1 45 45 VAL C C 45 171.182 171.182 173.649 -2.467 19657 2680 1 9 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.384 -3.315 19657 2681 1 9 . 1 1 45 45 VAL CB C 45 33.384 33.384 35.044 -1.660 19657 2682 1 9 . 1 1 45 45 VAL H H 45 8.571 8.571 8.050 0.521 19657 2683 1 9 . 1 1 46 46 ASP N N 46 126.446 126.446 125.208 1.238 19657 2684 1 9 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.247 0.080 19657 2685 1 9 . 1 1 46 46 ASP C C 46 175.630 175.630 176.714 -1.084 19657 2686 1 9 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.401 -3.146 19657 2687 1 9 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.715 -4.663 19657 2688 1 9 . 1 1 46 46 ASP H H 46 8.566 8.566 8.594 -0.028 19657 2689 1 9 . 1 1 47 47 THR N N 47 114.273 114.273 120.651 -6.378 19657 2690 1 9 . 1 1 47 47 THR HA H 47 4.185 4.185 4.305 -0.120 19657 2691 1 9 . 1 1 47 47 THR C C 47 173.322 173.322 175.424 -2.102 19657 2692 1 9 . 1 1 47 47 THR CA C 47 60.559 60.559 65.067 -4.508 19657 2693 1 9 . 1 1 47 47 THR CB C 47 66.582 66.582 69.320 -2.738 19657 2694 1 9 . 1 1 47 47 THR H H 47 9.087 9.087 8.773 0.314 19657 2695 1 9 . 1 1 48 48 TYR N N 48 123.848 123.848 121.196 2.652 19657 2696 1 9 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.479 -0.086 19657 2697 1 9 . 1 1 48 48 TYR C C 48 173.776 173.776 176.683 -2.907 19657 2698 1 9 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.063 -2.444 19657 2699 1 9 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.680 -2.863 19657 2700 1 9 . 1 1 48 48 TYR H H 48 8.818 8.818 8.014 0.804 19657 2701 1 9 . 1 1 49 49 ASN N N 49 113.642 113.642 115.756 -2.114 19657 2702 1 9 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.673 -0.208 19657 2703 1 9 . 1 1 49 49 ASN C C 49 172.356 172.356 175.285 -2.929 19657 2704 1 9 . 1 1 49 49 ASN CA C 49 49.231 49.231 53.316 -4.085 19657 2705 1 9 . 1 1 49 49 ASN CB C 49 34.484 34.484 39.806 -5.322 19657 2706 1 9 . 1 1 49 49 ASN H H 49 7.460 7.460 8.331 -0.871 19657 2707 1 9 . 1 1 50 50 ASN N N 50 117.167 117.167 116.761 0.406 19657 2708 1 9 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.521 -0.331 19657 2709 1 9 . 1 1 50 50 ASN C C 50 170.581 170.581 173.387 -2.806 19657 2710 1 9 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.430 -2.767 19657 2711 1 9 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.096 -2.894 19657 2712 1 9 . 1 1 50 50 ASN H H 50 7.886 7.886 7.590 0.296 19657 2713 1 9 . 1 1 51 51 ALA N N 51 121.083 121.083 120.539 0.544 19657 2714 1 9 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.520 -0.088 19657 2715 1 9 . 1 1 51 51 ALA C C 51 174.002 174.002 175.698 -1.696 19657 2716 1 9 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.622 -2.019 19657 2717 1 9 . 1 1 51 51 ALA CB C 51 17.688 17.688 21.255 -3.567 19657 2718 1 9 . 1 1 51 51 ALA H H 51 7.843 7.843 7.396 0.447 19657 2719 1 9 . 1 1 52 52 VAL N N 52 125.592 125.592 122.921 2.671 19657 2720 1 9 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.018 -0.119 19657 2721 1 9 . 1 1 52 52 VAL C C 52 171.449 171.449 174.600 -3.151 19657 2722 1 9 . 1 1 52 52 VAL CA C 52 57.894 57.894 61.260 -3.366 19657 2723 1 9 . 1 1 52 52 VAL CB C 52 32.369 32.369 35.921 -3.552 19657 2724 1 9 . 1 1 52 52 VAL H H 52 8.241 8.241 8.306 -0.065 19657 2725 1 9 . 1 1 53 53 ASP N N 53 125.731 125.731 125.616 0.115 19657 2726 1 9 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.952 -0.029 19657 2727 1 9 . 1 1 53 53 ASP C C 53 172.314 172.314 174.137 -1.823 19657 2728 1 9 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.775 -3.444 19657 2729 1 9 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.541 -3.779 19657 2730 1 9 . 1 1 53 53 ASP H H 53 8.613 8.613 8.650 -0.037 19657 2731 1 9 . 1 1 54 54 CYS N N 54 122.864 122.864 123.319 -0.455 19657 2732 1 9 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.649 -0.015 19657 2733 1 9 . 1 1 54 54 CYS C C 54 167.690 167.690 173.292 -5.602 19657 2734 1 9 . 1 1 54 54 CYS CA C 54 51.047 51.047 58.435 -7.388 19657 2735 1 9 . 1 1 54 54 CYS CB C 54 41.549 41.549 29.582 11.967 19657 2736 1 9 . 1 1 54 54 CYS H H 54 8.627 8.627 8.721 -0.094 19657 2737 1 10 . 1 1 2 2 LYS N N 2 119.803 119.803 118.626 1.177 19657 2738 1 10 . 1 1 2 2 LYS HA H 2 5.249 5.249 5.483 -0.234 19657 2739 1 10 . 1 1 2 2 LYS C C 2 172.912 172.912 174.778 -1.866 19657 2740 1 10 . 1 1 2 2 LYS CA C 2 52.189 52.189 54.329 -2.140 19657 2741 1 10 . 1 1 2 2 LYS CB C 2 31.708 31.708 35.345 -3.637 19657 2742 1 10 . 1 1 2 2 LYS H H 2 8.180 8.180 7.470 0.710 19657 2743 1 10 . 1 1 3 3 TYR N N 3 122.744 122.744 119.233 3.511 19657 2744 1 10 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.771 0.025 19657 2745 1 10 . 1 1 3 3 TYR C C 3 172.523 172.523 174.841 -2.318 19657 2746 1 10 . 1 1 3 3 TYR CA C 3 53.741 53.741 57.381 -3.640 19657 2747 1 10 . 1 1 3 3 TYR CB C 3 39.690 39.690 41.950 -2.260 19657 2748 1 10 . 1 1 3 3 TYR H H 3 8.951 8.951 8.434 0.517 19657 2749 1 10 . 1 1 4 4 THR N N 4 117.010 117.010 119.833 -2.823 19657 2750 1 10 . 1 1 4 4 THR HA H 4 5.012 5.012 4.665 0.347 19657 2751 1 10 . 1 1 4 4 THR C C 4 171.489 171.489 174.021 -2.532 19657 2752 1 10 . 1 1 4 4 THR CA C 4 58.808 58.808 61.763 -2.955 19657 2753 1 10 . 1 1 4 4 THR CB C 4 67.837 67.837 70.001 -2.164 19657 2754 1 10 . 1 1 4 4 THR H H 4 8.870 8.870 8.562 0.308 19657 2755 1 10 . 1 1 5 5 GLY N N 5 115.340 115.340 112.704 2.636 19657 2756 1 10 . 1 1 5 5 GLY C C 5 171.505 171.505 172.101 -0.596 19657 2757 1 10 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.554 -2.488 19657 2758 1 10 . 1 1 5 5 GLY H H 5 9.116 9.116 7.895 1.221 19657 2759 1 10 . 1 1 6 6 LYS N N 6 121.120 121.120 119.665 1.455 19657 2760 1 10 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.215 0.174 19657 2761 1 10 . 1 1 6 6 LYS C C 6 174.162 174.162 175.870 -1.708 19657 2762 1 10 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.871 -3.227 19657 2763 1 10 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.039 -1.042 19657 2764 1 10 . 1 1 6 6 LYS H H 6 8.408 8.408 8.059 0.349 19657 2765 1 10 . 1 1 7 7 CYS N N 7 122.530 122.530 118.378 4.152 19657 2766 1 10 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.733 0.599 19657 2767 1 10 . 1 1 7 7 CYS C C 7 169.635 169.635 173.874 -4.239 19657 2768 1 10 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.646 -5.236 19657 2769 1 10 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.664 10.981 19657 2770 1 10 . 1 1 7 7 CYS H H 7 9.795 9.795 7.875 1.920 19657 2771 1 10 . 1 1 8 8 THR N N 8 112.909 112.909 113.433 -0.524 19657 2772 1 10 . 1 1 8 8 THR HA H 8 4.690 4.690 4.814 -0.124 19657 2773 1 10 . 1 1 8 8 THR C C 8 172.048 172.048 175.333 -3.285 19657 2774 1 10 . 1 1 8 8 THR CA C 8 57.291 57.291 60.092 -2.801 19657 2775 1 10 . 1 1 8 8 THR CB C 8 68.608 68.608 71.561 -2.953 19657 2776 1 10 . 1 1 8 8 THR H H 8 8.630 8.630 8.016 0.614 19657 2777 1 10 . 1 1 9 9 LYS N N 9 127.151 127.151 123.655 3.496 19657 2778 1 10 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.328 -0.770 19657 2779 1 10 . 1 1 9 9 LYS C C 9 176.697 176.697 177.213 -0.516 19657 2780 1 10 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.354 -1.158 19657 2781 1 10 . 1 1 9 9 LYS CB C 9 31.079 31.079 32.113 -1.034 19657 2782 1 10 . 1 1 9 9 LYS H H 9 8.916 8.916 8.720 0.196 19657 2783 1 10 . 1 1 10 10 SER N N 10 116.323 116.323 114.502 1.821 19657 2784 1 10 . 1 1 10 10 SER C C 10 176.174 176.174 174.908 1.266 19657 2785 1 10 . 1 1 10 10 SER CA C 10 59.045 59.045 59.994 -0.949 19657 2786 1 10 . 1 1 10 10 SER H H 10 9.391 9.391 8.019 1.372 19657 2787 1 10 . 1 1 11 11 LYS N N 11 116.908 116.908 119.232 -2.324 19657 2788 1 10 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.358 -0.207 19657 2789 1 10 . 1 1 11 11 LYS C C 11 173.027 173.027 176.171 -3.144 19657 2790 1 10 . 1 1 11 11 LYS CA C 11 53.362 53.362 56.261 -2.899 19657 2791 1 10 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.389 -1.839 19657 2792 1 10 . 1 1 11 11 LYS H H 11 7.079 7.079 8.255 -1.176 19657 2793 1 10 . 1 1 12 12 ASN N N 12 120.313 120.313 116.882 3.431 19657 2794 1 10 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.488 0.097 19657 2795 1 10 . 1 1 12 12 ASN C C 12 171.411 171.411 173.121 -1.710 19657 2796 1 10 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.347 -3.473 19657 2797 1 10 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.659 -3.176 19657 2798 1 10 . 1 1 12 12 ASN H H 12 7.589 7.589 8.011 -0.422 19657 2799 1 10 . 1 1 13 13 GLU N N 13 114.653 114.653 115.013 -0.360 19657 2800 1 10 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.878 -0.004 19657 2801 1 10 . 1 1 13 13 GLU C C 13 170.929 170.929 174.659 -3.730 19657 2802 1 10 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.337 -2.308 19657 2803 1 10 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.130 0.643 19657 2804 1 10 . 1 1 13 13 GLU H H 13 7.237 7.237 7.730 -0.493 19657 2805 1 10 . 1 1 14 14 CYS N N 14 123.273 123.273 122.017 1.256 19657 2806 1 10 . 1 1 14 14 CYS HA H 14 4.632 4.632 4.948 -0.316 19657 2807 1 10 . 1 1 14 14 CYS C C 14 168.900 168.900 173.520 -4.620 19657 2808 1 10 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.571 -6.457 19657 2809 1 10 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.595 8.947 19657 2810 1 10 . 1 1 14 14 CYS H H 14 9.637 9.637 9.156 0.481 19657 2811 1 10 . 1 1 15 15 LYS N N 15 111.712 111.712 123.731 -12.019 19657 2812 1 10 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.379 -0.451 19657 2813 1 10 . 1 1 15 15 LYS C C 15 172.655 172.655 174.612 -1.957 19657 2814 1 10 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.370 -3.935 19657 2815 1 10 . 1 1 15 15 LYS CB C 15 31.472 31.472 35.447 -3.974 19657 2816 1 10 . 1 1 15 15 LYS H H 15 8.620 8.620 8.507 0.113 19657 2817 1 10 . 1 1 16 16 TYR N N 16 126.641 126.641 122.052 4.589 19657 2818 1 10 . 1 1 16 16 TYR HA H 16 4.905 4.905 4.982 -0.077 19657 2819 1 10 . 1 1 16 16 TYR C C 16 168.924 168.924 173.396 -4.472 19657 2820 1 10 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.363 -3.270 19657 2821 1 10 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.247 -2.768 19657 2822 1 10 . 1 1 16 16 TYR H H 16 8.993 8.993 8.983 0.010 19657 2823 1 10 . 1 1 17 17 LYS N N 17 120.730 120.730 121.364 -0.634 19657 2824 1 10 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.904 -0.490 19657 2825 1 10 . 1 1 17 17 LYS C C 17 173.386 173.386 175.981 -2.595 19657 2826 1 10 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.214 -3.519 19657 2827 1 10 . 1 1 17 17 LYS CB C 17 30.894 30.894 33.938 -3.044 19657 2828 1 10 . 1 1 17 17 LYS H H 17 8.414 8.414 8.602 -0.188 19657 2829 1 10 . 1 1 18 18 ASN N N 18 122.104 122.104 122.232 -0.128 19657 2830 1 10 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.351 -0.255 19657 2831 1 10 . 1 1 18 18 ASN C C 18 173.990 173.990 176.461 -2.471 19657 2832 1 10 . 1 1 18 18 ASN CA C 18 48.158 48.158 52.095 -3.937 19657 2833 1 10 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.099 -3.956 19657 2834 1 10 . 1 1 18 18 ASN H H 18 7.729 7.729 8.116 -0.387 19657 2835 1 10 . 1 1 19 19 ASP N N 19 117.316 117.316 118.744 -1.428 19657 2836 1 10 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.454 -0.081 19657 2837 1 10 . 1 1 19 19 ASP C C 19 173.929 173.929 176.805 -2.876 19657 2838 1 10 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.748 -2.482 19657 2839 1 10 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.050 -2.691 19657 2840 1 10 . 1 1 19 19 ASP H H 19 8.231 8.231 8.813 -0.582 19657 2841 1 10 . 1 1 20 20 ALA N N 20 120.814 120.814 121.580 -0.766 19657 2842 1 10 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.243 0.152 19657 2843 1 10 . 1 1 20 20 ALA C C 20 174.854 174.854 178.592 -3.738 19657 2844 1 10 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.113 -3.348 19657 2845 1 10 . 1 1 20 20 ALA CB C 20 16.013 16.013 18.982 -2.969 19657 2846 1 10 . 1 1 20 20 ALA H H 20 7.413 7.413 7.888 -0.475 19657 2847 1 10 . 1 1 21 21 GLY N N 21 126.585 126.585 106.278 20.307 19657 2848 1 10 . 1 1 21 21 GLY C C 21 171.015 171.015 174.217 -3.202 19657 2849 1 10 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.090 -2.263 19657 2850 1 10 . 1 1 21 21 GLY H H 21 8.162 8.162 7.967 0.195 19657 2851 1 10 . 1 1 22 22 LYS N N 22 120.322 120.322 120.634 -0.312 19657 2852 1 10 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.410 -0.093 19657 2853 1 10 . 1 1 22 22 LYS C C 22 174.076 174.076 175.228 -1.152 19657 2854 1 10 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.609 -4.173 19657 2855 1 10 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.737 -3.161 19657 2856 1 10 . 1 1 22 22 LYS H H 22 7.676 7.676 7.859 -0.183 19657 2857 1 10 . 1 1 23 23 ASP N N 23 126.455 126.455 121.013 5.442 19657 2858 1 10 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.573 -0.311 19657 2859 1 10 . 1 1 23 23 ASP C C 23 172.391 172.391 175.569 -3.178 19657 2860 1 10 . 1 1 23 23 ASP CA C 23 52.973 52.973 54.643 -1.670 19657 2861 1 10 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.746 -3.623 19657 2862 1 10 . 1 1 23 23 ASP H H 23 8.619 8.619 8.397 0.222 19657 2863 1 10 . 1 1 24 24 THR N N 24 122.762 122.762 120.332 2.430 19657 2864 1 10 . 1 1 24 24 THR HA H 24 4.009 4.009 4.415 -0.406 19657 2865 1 10 . 1 1 24 24 THR C C 24 167.562 167.562 172.770 -5.208 19657 2866 1 10 . 1 1 24 24 THR CA C 24 59.223 59.223 61.008 -1.785 19657 2867 1 10 . 1 1 24 24 THR CB C 24 67.985 67.985 70.565 -2.580 19657 2868 1 10 . 1 1 24 24 THR H H 24 8.773 8.773 8.781 -0.008 19657 2869 1 10 . 1 1 25 25 PHE N N 25 122.224 122.224 123.713 -1.489 19657 2870 1 10 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.536 -0.154 19657 2871 1 10 . 1 1 25 25 PHE C C 25 172.781 172.781 174.254 -1.473 19657 2872 1 10 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.187 -1.590 19657 2873 1 10 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.079 -1.834 19657 2874 1 10 . 1 1 25 25 PHE H H 25 8.314 8.314 7.632 0.682 19657 2875 1 10 . 1 1 26 26 ILE N N 26 123.050 123.050 124.135 -1.085 19657 2876 1 10 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.625 -0.009 19657 2877 1 10 . 1 1 26 26 ILE C C 26 170.373 170.373 174.430 -4.057 19657 2878 1 10 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.831 -2.987 19657 2879 1 10 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.685 -3.210 19657 2880 1 10 . 1 1 26 26 ILE H H 26 9.093 9.093 9.194 -0.101 19657 2881 1 10 . 1 1 27 27 LYS N N 27 126.928 126.928 125.233 1.695 19657 2882 1 10 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.335 -0.144 19657 2883 1 10 . 1 1 27 27 LYS C C 27 174.551 174.551 175.813 -1.262 19657 2884 1 10 . 1 1 27 27 LYS CA C 27 55.166 55.166 55.819 -0.653 19657 2885 1 10 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.151 -2.571 19657 2886 1 10 . 1 1 27 27 LYS H H 27 8.309 8.309 8.213 0.096 19657 2887 1 10 . 1 1 28 28 CYS N N 28 119.357 119.357 122.018 -2.661 19657 2888 1 10 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.825 -0.253 19657 2889 1 10 . 1 1 28 28 CYS C C 28 169.287 169.287 173.065 -3.778 19657 2890 1 10 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.221 -4.680 19657 2891 1 10 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.631 9.956 19657 2892 1 10 . 1 1 28 28 CYS H H 28 8.414 8.414 8.640 -0.226 19657 2893 1 10 . 1 1 30 30 LYS N N 30 116.481 116.481 120.097 -3.616 19657 2894 1 10 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.307 -0.351 19657 2895 1 10 . 1 1 30 30 LYS C C 30 173.819 173.819 176.077 -2.258 19657 2896 1 10 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.613 -3.116 19657 2897 1 10 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.402 -2.312 19657 2898 1 10 . 1 1 30 30 LYS H H 30 8.004 8.004 8.468 -0.464 19657 2899 1 10 . 1 1 31 31 PHE N N 31 116.963 116.963 118.350 -1.387 19657 2900 1 10 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.502 -0.025 19657 2901 1 10 . 1 1 31 31 PHE C C 31 173.518 173.518 177.439 -3.921 19657 2902 1 10 . 1 1 31 31 PHE CA C 31 54.044 54.044 58.388 -4.344 19657 2903 1 10 . 1 1 31 31 PHE CB C 31 37.643 37.643 39.995 -2.352 19657 2904 1 10 . 1 1 31 31 PHE H H 31 6.424 6.424 7.891 -1.467 19657 2905 1 10 . 1 1 32 32 ASP N N 32 121.612 121.612 122.099 -0.487 19657 2906 1 10 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.427 -0.291 19657 2907 1 10 . 1 1 32 32 ASP C C 32 173.688 173.688 176.850 -3.162 19657 2908 1 10 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.546 -1.753 19657 2909 1 10 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.831 -2.939 19657 2910 1 10 . 1 1 32 32 ASP H H 32 8.800 8.800 8.869 -0.069 19657 2911 1 10 . 1 1 33 33 ASN N N 33 113.168 113.168 117.006 -3.838 19657 2912 1 10 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.635 -0.072 19657 2913 1 10 . 1 1 33 33 ASN C C 33 172.656 172.656 175.390 -2.734 19657 2914 1 10 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.422 -3.060 19657 2915 1 10 . 1 1 33 33 ASN CB C 33 34.754 34.754 38.800 -4.046 19657 2916 1 10 . 1 1 33 33 ASN H H 33 8.455 8.455 8.528 -0.073 19657 2917 1 10 . 1 1 34 34 LYS N N 34 117.622 117.622 117.917 -0.295 19657 2918 1 10 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.600 0.264 19657 2919 1 10 . 1 1 34 34 LYS C C 34 171.666 171.666 173.930 -2.264 19657 2920 1 10 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.294 -4.146 19657 2921 1 10 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.221 -2.408 19657 2922 1 10 . 1 1 34 34 LYS H H 34 7.676 7.676 7.768 -0.092 19657 2923 1 10 . 1 1 35 35 LYS N N 35 116.880 116.880 118.397 -1.517 19657 2924 1 10 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.718 -0.219 19657 2925 1 10 . 1 1 35 35 LYS C C 35 172.133 172.133 174.180 -2.047 19657 2926 1 10 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.711 -2.556 19657 2927 1 10 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.288 -4.513 19657 2928 1 10 . 1 1 35 35 LYS H H 35 6.927 6.927 7.839 -0.912 19657 2929 1 10 . 1 1 36 36 CYS N N 36 117.678 117.678 120.616 -2.938 19657 2930 1 10 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.854 -0.167 19657 2931 1 10 . 1 1 36 36 CYS C C 36 174.909 174.909 176.257 -1.348 19657 2932 1 10 . 1 1 36 36 CYS CA C 36 53.356 53.356 58.519 -5.163 19657 2933 1 10 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.771 11.932 19657 2934 1 10 . 1 1 36 36 CYS H H 36 8.572 8.572 8.861 -0.289 19657 2935 1 10 . 1 1 37 37 THR N N 37 121.872 121.872 120.243 1.629 19657 2936 1 10 . 1 1 37 37 THR HA H 37 4.219 4.219 4.359 -0.140 19657 2937 1 10 . 1 1 37 37 THR C C 37 172.565 172.565 173.977 -1.412 19657 2938 1 10 . 1 1 37 37 THR CA C 37 60.478 60.478 63.230 -2.752 19657 2939 1 10 . 1 1 37 37 THR CB C 37 68.235 68.235 69.599 -1.364 19657 2940 1 10 . 1 1 37 37 THR H H 37 10.105 10.105 8.600 1.505 19657 2941 1 10 . 1 1 38 38 LYS N N 38 122.020 122.020 121.554 0.466 19657 2942 1 10 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.499 -0.344 19657 2943 1 10 . 1 1 38 38 LYS C C 38 170.713 170.713 174.809 -4.096 19657 2944 1 10 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.901 -1.036 19657 2945 1 10 . 1 1 38 38 LYS CB C 38 32.499 32.499 35.300 -2.801 19657 2946 1 10 . 1 1 38 38 LYS H H 38 7.258 7.258 7.661 -0.403 19657 2947 1 10 . 1 1 39 39 ASP N N 39 124.776 124.776 122.121 2.655 19657 2948 1 10 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.587 -0.010 19657 2949 1 10 . 1 1 39 39 ASP C C 39 175.068 175.068 176.398 -1.330 19657 2950 1 10 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.637 -0.604 19657 2951 1 10 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.326 -3.872 19657 2952 1 10 . 1 1 39 39 ASP H H 39 8.783 8.783 8.570 0.213 19657 2953 1 10 . 1 1 40 40 ASN N N 40 114.764 114.764 116.135 -1.371 19657 2954 1 10 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.266 -0.004 19657 2955 1 10 . 1 1 40 40 ASN C C 40 171.530 171.530 174.679 -3.149 19657 2956 1 10 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.336 -1.361 19657 2957 1 10 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.284 -4.104 19657 2958 1 10 . 1 1 40 40 ASN H H 40 9.467 9.467 8.336 1.131 19657 2959 1 10 . 1 1 41 41 ASN N N 41 120.183 120.183 115.294 4.889 19657 2960 1 10 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.502 0.173 19657 2961 1 10 . 1 1 41 41 ASN C C 41 171.964 171.964 175.043 -3.079 19657 2962 1 10 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.826 -5.458 19657 2963 1 10 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.457 -3.059 19657 2964 1 10 . 1 1 41 41 ASN H H 41 7.729 7.729 8.088 -0.359 19657 2965 1 10 . 1 1 42 42 LYS N N 42 119.700 119.700 117.719 1.981 19657 2966 1 10 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.134 -0.779 19657 2967 1 10 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.158 -0.608 19657 2968 1 10 . 1 1 42 42 LYS CB C 42 30.627 30.627 36.175 -5.548 19657 2969 1 10 . 1 1 42 42 LYS H H 42 8.496 8.496 8.234 0.262 19657 2970 1 10 . 1 1 43 43 CYS N N 43 113.920 113.920 118.201 -4.281 19657 2971 1 10 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.440 -0.096 19657 2972 1 10 . 1 1 43 43 CYS C C 43 169.725 169.725 173.819 -4.094 19657 2973 1 10 . 1 1 43 43 CYS CA C 43 50.891 50.891 56.860 -5.969 19657 2974 1 10 . 1 1 43 43 CYS H H 43 7.542 7.542 9.235 -1.693 19657 2975 1 10 . 1 1 44 44 THR N N 44 113.141 113.141 115.459 -2.318 19657 2976 1 10 . 1 1 44 44 THR HA H 44 5.229 5.229 5.057 0.172 19657 2977 1 10 . 1 1 44 44 THR C C 44 169.993 169.993 173.048 -3.055 19657 2978 1 10 . 1 1 44 44 THR CA C 44 57.308 57.308 61.086 -3.778 19657 2979 1 10 . 1 1 44 44 THR CB C 44 69.607 69.607 71.400 -1.793 19657 2980 1 10 . 1 1 44 44 THR H H 44 8.987 8.987 8.974 0.013 19657 2981 1 10 . 1 1 45 45 VAL N N 45 121.909 121.909 123.033 -1.124 19657 2982 1 10 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.858 -0.371 19657 2983 1 10 . 1 1 45 45 VAL C C 45 171.182 171.182 173.838 -2.656 19657 2984 1 10 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.129 -3.060 19657 2985 1 10 . 1 1 45 45 VAL CB C 45 33.384 33.384 35.112 -1.728 19657 2986 1 10 . 1 1 45 45 VAL H H 45 8.571 8.571 8.089 0.482 19657 2987 1 10 . 1 1 46 46 ASP N N 46 126.446 126.446 127.073 -0.627 19657 2988 1 10 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.340 -0.013 19657 2989 1 10 . 1 1 46 46 ASP C C 46 175.630 175.630 177.060 -1.430 19657 2990 1 10 . 1 1 46 46 ASP CA C 46 49.255 49.255 53.079 -3.824 19657 2991 1 10 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.160 -4.109 19657 2992 1 10 . 1 1 46 46 ASP H H 46 8.566 8.566 8.795 -0.229 19657 2993 1 10 . 1 1 47 47 THR N N 47 114.273 114.273 120.758 -6.485 19657 2994 1 10 . 1 1 47 47 THR HA H 47 4.185 4.185 4.256 -0.071 19657 2995 1 10 . 1 1 47 47 THR C C 47 173.322 173.322 174.982 -1.660 19657 2996 1 10 . 1 1 47 47 THR CA C 47 60.559 60.559 64.848 -4.289 19657 2997 1 10 . 1 1 47 47 THR CB C 47 66.582 66.582 69.198 -2.616 19657 2998 1 10 . 1 1 47 47 THR H H 47 9.087 9.087 8.759 0.328 19657 2999 1 10 . 1 1 48 48 TYR N N 48 123.848 123.848 122.210 1.638 19657 3000 1 10 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.420 -0.027 19657 3001 1 10 . 1 1 48 48 TYR C C 48 173.776 173.776 176.573 -2.797 19657 3002 1 10 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.674 -3.055 19657 3003 1 10 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.893 -3.076 19657 3004 1 10 . 1 1 48 48 TYR H H 48 8.818 8.818 8.056 0.762 19657 3005 1 10 . 1 1 49 49 ASN N N 49 113.642 113.642 114.147 -0.505 19657 3006 1 10 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.699 -0.234 19657 3007 1 10 . 1 1 49 49 ASN C C 49 172.356 172.356 174.693 -2.337 19657 3008 1 10 . 1 1 49 49 ASN CA C 49 49.231 49.231 53.016 -3.785 19657 3009 1 10 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.898 -4.414 19657 3010 1 10 . 1 1 49 49 ASN H H 49 7.460 7.460 8.186 -0.726 19657 3011 1 10 . 1 1 50 50 ASN N N 50 117.167 117.167 117.222 -0.055 19657 3012 1 10 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.411 -0.221 19657 3013 1 10 . 1 1 50 50 ASN C C 50 170.581 170.581 173.364 -2.783 19657 3014 1 10 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.325 -2.662 19657 3015 1 10 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.248 -3.046 19657 3016 1 10 . 1 1 50 50 ASN H H 50 7.886 7.886 8.044 -0.158 19657 3017 1 10 . 1 1 51 51 ALA N N 51 121.083 121.083 120.696 0.387 19657 3018 1 10 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.622 -0.190 19657 3019 1 10 . 1 1 51 51 ALA C C 51 174.002 174.002 175.564 -1.562 19657 3020 1 10 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.425 -1.822 19657 3021 1 10 . 1 1 51 51 ALA CB C 51 17.688 17.688 21.747 -4.059 19657 3022 1 10 . 1 1 51 51 ALA H H 51 7.843 7.843 7.401 0.442 19657 3023 1 10 . 1 1 52 52 VAL N N 52 125.592 125.592 121.420 4.172 19657 3024 1 10 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.113 -0.214 19657 3025 1 10 . 1 1 52 52 VAL C C 52 171.449 171.449 175.034 -3.585 19657 3026 1 10 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.438 -2.544 19657 3027 1 10 . 1 1 52 52 VAL CB C 52 32.369 32.369 35.282 -2.913 19657 3028 1 10 . 1 1 52 52 VAL H H 52 8.241 8.241 8.352 -0.112 19657 3029 1 10 . 1 1 53 53 ASP N N 53 125.731 125.731 125.474 0.257 19657 3030 1 10 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.963 -0.040 19657 3031 1 10 . 1 1 53 53 ASP C C 53 172.314 172.314 174.467 -2.153 19657 3032 1 10 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.129 -2.798 19657 3033 1 10 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.677 -3.915 19657 3034 1 10 . 1 1 53 53 ASP H H 53 8.613 8.613 8.955 -0.342 19657 3035 1 10 . 1 1 54 54 CYS N N 54 122.864 122.864 122.852 0.012 19657 3036 1 10 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.661 -0.027 19657 3037 1 10 . 1 1 54 54 CYS C C 54 167.690 167.690 175.304 -7.614 19657 3038 1 10 . 1 1 54 54 CYS CA C 54 51.047 51.047 57.696 -6.649 19657 3039 1 10 . 1 1 54 54 CYS CB C 54 41.549 41.549 30.038 11.511 19657 3040 1 10 . 1 1 54 54 CYS H H 54 8.627 8.627 8.824 -0.197 19657 3041 1 11 . 1 1 2 2 LYS N N 2 119.803 119.803 119.400 0.403 19657 3042 1 11 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.543 0.706 19657 3043 1 11 . 1 1 2 2 LYS C C 2 172.912 172.912 174.814 -1.902 19657 3044 1 11 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.672 -3.483 19657 3045 1 11 . 1 1 2 2 LYS CB C 2 31.708 31.708 33.955 -2.247 19657 3046 1 11 . 1 1 2 2 LYS H H 2 8.180 8.180 7.463 0.717 19657 3047 1 11 . 1 1 3 3 TYR N N 3 122.744 122.744 124.922 -2.178 19657 3048 1 11 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.783 0.013 19657 3049 1 11 . 1 1 3 3 TYR C C 3 172.523 172.523 175.430 -2.907 19657 3050 1 11 . 1 1 3 3 TYR CA C 3 53.741 53.741 56.853 -3.112 19657 3051 1 11 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.538 -0.849 19657 3052 1 11 . 1 1 3 3 TYR H H 3 8.951 8.951 8.093 0.858 19657 3053 1 11 . 1 1 4 4 THR N N 4 117.010 117.010 119.224 -2.214 19657 3054 1 11 . 1 1 4 4 THR HA H 4 5.012 5.012 4.711 0.301 19657 3055 1 11 . 1 1 4 4 THR C C 4 171.489 171.489 173.871 -2.382 19657 3056 1 11 . 1 1 4 4 THR CA C 4 58.808 58.808 61.424 -2.616 19657 3057 1 11 . 1 1 4 4 THR CB C 4 67.837 67.837 69.984 -2.147 19657 3058 1 11 . 1 1 4 4 THR H H 4 8.870 8.870 8.676 0.194 19657 3059 1 11 . 1 1 5 5 GLY N N 5 115.340 115.340 112.025 3.315 19657 3060 1 11 . 1 1 5 5 GLY C C 5 171.505 171.505 172.039 -0.534 19657 3061 1 11 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.573 -2.507 19657 3062 1 11 . 1 1 5 5 GLY H H 5 9.116 9.116 8.011 1.105 19657 3063 1 11 . 1 1 6 6 LYS N N 6 121.120 121.120 119.732 1.388 19657 3064 1 11 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.186 0.203 19657 3065 1 11 . 1 1 6 6 LYS C C 6 174.162 174.162 175.775 -1.613 19657 3066 1 11 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.901 -3.257 19657 3067 1 11 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.088 -1.091 19657 3068 1 11 . 1 1 6 6 LYS H H 6 8.408 8.408 8.070 0.338 19657 3069 1 11 . 1 1 7 7 CYS N N 7 122.530 122.530 118.959 3.571 19657 3070 1 11 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.716 0.616 19657 3071 1 11 . 1 1 7 7 CYS C C 7 169.635 169.635 174.086 -4.451 19657 3072 1 11 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.701 -5.291 19657 3073 1 11 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.553 11.092 19657 3074 1 11 . 1 1 7 7 CYS H H 7 9.795 9.795 7.936 1.859 19657 3075 1 11 . 1 1 8 8 THR N N 8 112.909 112.909 114.198 -1.289 19657 3076 1 11 . 1 1 8 8 THR HA H 8 4.690 4.690 4.666 0.024 19657 3077 1 11 . 1 1 8 8 THR C C 8 172.048 172.048 175.017 -2.969 19657 3078 1 11 . 1 1 8 8 THR CA C 8 57.291 57.291 60.514 -3.223 19657 3079 1 11 . 1 1 8 8 THR CB C 8 68.608 68.608 71.059 -2.451 19657 3080 1 11 . 1 1 8 8 THR H H 8 8.630 8.630 8.123 0.507 19657 3081 1 11 . 1 1 9 9 LYS N N 9 127.151 127.151 124.325 2.826 19657 3082 1 11 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.147 -0.589 19657 3083 1 11 . 1 1 9 9 LYS C C 9 176.697 176.697 176.841 -0.144 19657 3084 1 11 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.283 -1.087 19657 3085 1 11 . 1 1 9 9 LYS CB C 9 31.079 31.079 32.279 -1.200 19657 3086 1 11 . 1 1 9 9 LYS H H 9 8.916 8.916 8.747 0.169 19657 3087 1 11 . 1 1 10 10 SER N N 10 116.323 116.323 114.672 1.651 19657 3088 1 11 . 1 1 10 10 SER C C 10 176.174 176.174 175.377 0.797 19657 3089 1 11 . 1 1 10 10 SER CA C 10 59.045 59.045 60.003 -0.958 19657 3090 1 11 . 1 1 10 10 SER H H 10 9.391 9.391 8.041 1.350 19657 3091 1 11 . 1 1 11 11 LYS N N 11 116.908 116.908 120.723 -3.815 19657 3092 1 11 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.331 -0.180 19657 3093 1 11 . 1 1 11 11 LYS C C 11 173.027 173.027 176.336 -3.309 19657 3094 1 11 . 1 1 11 11 LYS CA C 11 53.362 53.362 56.006 -2.644 19657 3095 1 11 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.561 -2.011 19657 3096 1 11 . 1 1 11 11 LYS H H 11 7.079 7.079 8.021 -0.942 19657 3097 1 11 . 1 1 12 12 ASN N N 12 120.313 120.313 116.776 3.537 19657 3098 1 11 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.509 0.076 19657 3099 1 11 . 1 1 12 12 ASN C C 12 171.411 171.411 173.155 -1.744 19657 3100 1 11 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.373 -3.499 19657 3101 1 11 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.575 -3.092 19657 3102 1 11 . 1 1 12 12 ASN H H 12 7.589 7.589 7.939 -0.350 19657 3103 1 11 . 1 1 13 13 GLU N N 13 114.653 114.653 116.970 -2.317 19657 3104 1 11 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.657 0.217 19657 3105 1 11 . 1 1 13 13 GLU C C 13 170.929 170.929 174.612 -3.683 19657 3106 1 11 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.691 -2.662 19657 3107 1 11 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.151 0.622 19657 3108 1 11 . 1 1 13 13 GLU H H 13 7.237 7.237 7.809 -0.572 19657 3109 1 11 . 1 1 14 14 CYS N N 14 123.273 123.273 123.531 -0.258 19657 3110 1 11 . 1 1 14 14 CYS HA H 14 4.632 4.632 5.051 -0.419 19657 3111 1 11 . 1 1 14 14 CYS C C 14 168.900 168.900 173.374 -4.474 19657 3112 1 11 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.156 -6.042 19657 3113 1 11 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.480 9.062 19657 3114 1 11 . 1 1 14 14 CYS H H 14 9.637 9.637 9.033 0.604 19657 3115 1 11 . 1 1 15 15 LYS N N 15 111.712 111.712 122.583 -10.871 19657 3116 1 11 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.441 -0.513 19657 3117 1 11 . 1 1 15 15 LYS C C 15 172.655 172.655 174.575 -1.920 19657 3118 1 11 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.223 -3.788 19657 3119 1 11 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.408 -2.936 19657 3120 1 11 . 1 1 15 15 LYS H H 15 8.620 8.620 8.479 0.141 19657 3121 1 11 . 1 1 16 16 TYR N N 16 126.641 126.641 119.625 7.016 19657 3122 1 11 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.011 -0.106 19657 3123 1 11 . 1 1 16 16 TYR C C 16 168.924 168.924 173.524 -4.600 19657 3124 1 11 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.808 -3.715 19657 3125 1 11 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.935 -3.456 19657 3126 1 11 . 1 1 16 16 TYR H H 16 8.993 8.993 9.149 -0.156 19657 3127 1 11 . 1 1 17 17 LYS N N 17 120.730 120.730 121.779 -1.049 19657 3128 1 11 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.727 -0.313 19657 3129 1 11 . 1 1 17 17 LYS C C 17 173.386 173.386 176.281 -2.895 19657 3130 1 11 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.094 -3.400 19657 3131 1 11 . 1 1 17 17 LYS CB C 17 30.894 30.894 33.753 -2.859 19657 3132 1 11 . 1 1 17 17 LYS H H 17 8.414 8.414 8.718 -0.304 19657 3133 1 11 . 1 1 18 18 ASN N N 18 122.104 122.104 123.613 -1.509 19657 3134 1 11 . 1 1 18 18 ASN HA H 18 4.096 4.096 3.788 0.308 19657 3135 1 11 . 1 1 18 18 ASN C C 18 173.990 173.990 176.694 -2.704 19657 3136 1 11 . 1 1 18 18 ASN CA C 18 48.158 48.158 52.365 -4.207 19657 3137 1 11 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.227 -4.084 19657 3138 1 11 . 1 1 18 18 ASN H H 18 7.729 7.729 7.931 -0.202 19657 3139 1 11 . 1 1 19 19 ASP N N 19 117.316 117.316 117.983 -0.667 19657 3140 1 11 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.494 -0.121 19657 3141 1 11 . 1 1 19 19 ASP C C 19 173.929 173.929 176.576 -2.647 19657 3142 1 11 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.971 -2.706 19657 3143 1 11 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.171 -2.812 19657 3144 1 11 . 1 1 19 19 ASP H H 19 8.231 8.231 8.819 -0.588 19657 3145 1 11 . 1 1 20 20 ALA N N 20 120.814 120.814 121.347 -0.533 19657 3146 1 11 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.225 0.170 19657 3147 1 11 . 1 1 20 20 ALA C C 20 174.854 174.854 178.383 -3.529 19657 3148 1 11 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.290 -3.525 19657 3149 1 11 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.245 -3.232 19657 3150 1 11 . 1 1 20 20 ALA H H 20 7.413 7.413 8.531 -1.118 19657 3151 1 11 . 1 1 21 21 GLY N N 21 126.585 126.585 105.581 21.004 19657 3152 1 11 . 1 1 21 21 GLY C C 21 171.015 171.015 173.765 -2.750 19657 3153 1 11 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.151 -2.325 19657 3154 1 11 . 1 1 21 21 GLY H H 21 8.162 8.162 7.922 0.240 19657 3155 1 11 . 1 1 22 22 LYS N N 22 120.322 120.322 121.058 -0.736 19657 3156 1 11 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.223 0.094 19657 3157 1 11 . 1 1 22 22 LYS C C 22 174.076 174.076 175.695 -1.619 19657 3158 1 11 . 1 1 22 22 LYS CA C 22 51.436 51.436 56.023 -4.587 19657 3159 1 11 . 1 1 22 22 LYS CB C 22 30.576 30.576 32.868 -2.292 19657 3160 1 11 . 1 1 22 22 LYS H H 22 7.676 7.676 7.720 -0.043 19657 3161 1 11 . 1 1 23 23 ASP N N 23 126.455 126.455 123.517 2.938 19657 3162 1 11 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.477 -0.215 19657 3163 1 11 . 1 1 23 23 ASP C C 23 172.391 172.391 175.838 -3.447 19657 3164 1 11 . 1 1 23 23 ASP CA C 23 52.973 52.973 55.224 -2.251 19657 3165 1 11 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.197 -3.074 19657 3166 1 11 . 1 1 23 23 ASP H H 23 8.619 8.619 8.507 0.112 19657 3167 1 11 . 1 1 24 24 THR N N 24 122.762 122.762 120.418 2.344 19657 3168 1 11 . 1 1 24 24 THR HA H 24 4.009 4.009 4.417 -0.408 19657 3169 1 11 . 1 1 24 24 THR C C 24 167.562 167.562 173.014 -5.452 19657 3170 1 11 . 1 1 24 24 THR CA C 24 59.223 59.223 61.034 -1.811 19657 3171 1 11 . 1 1 24 24 THR CB C 24 67.985 67.985 70.779 -2.795 19657 3172 1 11 . 1 1 24 24 THR H H 24 8.773 8.773 8.661 0.112 19657 3173 1 11 . 1 1 25 25 PHE N N 25 122.224 122.224 123.980 -1.756 19657 3174 1 11 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.490 -0.108 19657 3175 1 11 . 1 1 25 25 PHE C C 25 172.781 172.781 174.150 -1.369 19657 3176 1 11 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.474 -1.877 19657 3177 1 11 . 1 1 25 25 PHE CB C 25 39.245 39.245 40.813 -1.568 19657 3178 1 11 . 1 1 25 25 PHE H H 25 8.314 8.314 7.681 0.633 19657 3179 1 11 . 1 1 26 26 ILE N N 26 123.050 123.050 124.318 -1.268 19657 3180 1 11 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.552 0.064 19657 3181 1 11 . 1 1 26 26 ILE C C 26 170.373 170.373 174.176 -3.803 19657 3182 1 11 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.340 -2.496 19657 3183 1 11 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.862 -3.388 19657 3184 1 11 . 1 1 26 26 ILE H H 26 9.093 9.093 8.929 0.164 19657 3185 1 11 . 1 1 27 27 LYS N N 27 126.928 126.928 124.322 2.606 19657 3186 1 11 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.312 -0.121 19657 3187 1 11 . 1 1 27 27 LYS C C 27 174.551 174.551 176.029 -1.478 19657 3188 1 11 . 1 1 27 27 LYS CA C 27 55.166 55.166 57.197 -2.031 19657 3189 1 11 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.729 -3.149 19657 3190 1 11 . 1 1 27 27 LYS H H 27 8.309 8.309 8.260 0.049 19657 3191 1 11 . 1 1 28 28 CYS N N 28 119.357 119.357 122.811 -3.454 19657 3192 1 11 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.959 -0.387 19657 3193 1 11 . 1 1 28 28 CYS C C 28 169.287 169.287 172.924 -3.637 19657 3194 1 11 . 1 1 28 28 CYS CA C 28 52.541 52.541 56.998 -4.457 19657 3195 1 11 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.628 9.959 19657 3196 1 11 . 1 1 28 28 CYS H H 28 8.414 8.414 8.257 0.157 19657 3197 1 11 . 1 1 30 30 LYS N N 30 116.481 116.481 120.110 -3.629 19657 3198 1 11 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.278 -0.322 19657 3199 1 11 . 1 1 30 30 LYS C C 30 173.819 173.819 176.101 -2.282 19657 3200 1 11 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.369 -2.872 19657 3201 1 11 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.293 -2.203 19657 3202 1 11 . 1 1 30 30 LYS H H 30 8.004 8.004 8.298 -0.294 19657 3203 1 11 . 1 1 31 31 PHE N N 31 116.963 116.963 118.916 -1.953 19657 3204 1 11 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.512 -0.035 19657 3205 1 11 . 1 1 31 31 PHE C C 31 173.518 173.518 177.367 -3.849 19657 3206 1 11 . 1 1 31 31 PHE CA C 31 54.044 54.044 58.066 -4.022 19657 3207 1 11 . 1 1 31 31 PHE CB C 31 37.643 37.643 39.850 -2.207 19657 3208 1 11 . 1 1 31 31 PHE H H 31 6.424 6.424 7.688 -1.264 19657 3209 1 11 . 1 1 32 32 ASP N N 32 121.612 121.612 122.500 -0.888 19657 3210 1 11 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.430 -0.294 19657 3211 1 11 . 1 1 32 32 ASP C C 32 173.688 173.688 176.785 -3.097 19657 3212 1 11 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.692 -1.899 19657 3213 1 11 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.706 -2.814 19657 3214 1 11 . 1 1 32 32 ASP H H 32 8.800 8.800 8.900 -0.100 19657 3215 1 11 . 1 1 33 33 ASN N N 33 113.168 113.168 117.507 -4.339 19657 3216 1 11 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.616 -0.053 19657 3217 1 11 . 1 1 33 33 ASN C C 33 172.656 172.656 175.271 -2.615 19657 3218 1 11 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.310 -2.949 19657 3219 1 11 . 1 1 33 33 ASN CB C 33 34.754 34.754 38.868 -4.114 19657 3220 1 11 . 1 1 33 33 ASN H H 33 8.455 8.455 8.447 0.008 19657 3221 1 11 . 1 1 34 34 LYS N N 34 117.622 117.622 118.026 -0.404 19657 3222 1 11 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.601 0.263 19657 3223 1 11 . 1 1 34 34 LYS C C 34 171.666 171.666 173.926 -2.260 19657 3224 1 11 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.288 -4.140 19657 3225 1 11 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.160 -2.347 19657 3226 1 11 . 1 1 34 34 LYS H H 34 7.676 7.676 7.715 -0.039 19657 3227 1 11 . 1 1 35 35 LYS N N 35 116.880 116.880 117.591 -0.711 19657 3228 1 11 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.726 -0.227 19657 3229 1 11 . 1 1 35 35 LYS C C 35 172.133 172.133 174.550 -2.417 19657 3230 1 11 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.816 -2.661 19657 3231 1 11 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.441 -4.666 19657 3232 1 11 . 1 1 35 35 LYS H H 35 6.927 6.927 8.013 -1.086 19657 3233 1 11 . 1 1 36 36 CYS N N 36 117.678 117.678 120.689 -3.011 19657 3234 1 11 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.817 -0.130 19657 3235 1 11 . 1 1 36 36 CYS C C 36 174.909 174.909 176.224 -1.315 19657 3236 1 11 . 1 1 36 36 CYS CA C 36 53.356 53.356 59.389 -6.033 19657 3237 1 11 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.382 12.321 19657 3238 1 11 . 1 1 36 36 CYS H H 36 8.572 8.572 8.653 -0.081 19657 3239 1 11 . 1 1 37 37 THR N N 37 121.872 121.872 119.093 2.779 19657 3240 1 11 . 1 1 37 37 THR HA H 37 4.219 4.219 4.339 -0.120 19657 3241 1 11 . 1 1 37 37 THR C C 37 172.565 172.565 173.732 -1.167 19657 3242 1 11 . 1 1 37 37 THR CA C 37 60.478 60.478 62.925 -2.447 19657 3243 1 11 . 1 1 37 37 THR CB C 37 68.235 68.235 70.031 -1.796 19657 3244 1 11 . 1 1 37 37 THR H H 37 10.105 10.105 8.646 1.459 19657 3245 1 11 . 1 1 38 38 LYS N N 38 122.020 122.020 119.930 2.090 19657 3246 1 11 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.542 -0.387 19657 3247 1 11 . 1 1 38 38 LYS C C 38 170.713 170.713 174.393 -3.680 19657 3248 1 11 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.638 -0.773 19657 3249 1 11 . 1 1 38 38 LYS CB C 38 32.499 32.499 36.102 -3.603 19657 3250 1 11 . 1 1 38 38 LYS H H 38 7.258 7.258 7.728 -0.470 19657 3251 1 11 . 1 1 39 39 ASP N N 39 124.776 124.776 121.500 3.276 19657 3252 1 11 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.624 -0.047 19657 3253 1 11 . 1 1 39 39 ASP C C 39 175.068 175.068 176.632 -1.564 19657 3254 1 11 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.481 -0.448 19657 3255 1 11 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.259 -3.805 19657 3256 1 11 . 1 1 39 39 ASP H H 39 8.783 8.783 8.532 0.251 19657 3257 1 11 . 1 1 40 40 ASN N N 40 114.764 114.764 115.860 -1.096 19657 3258 1 11 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.322 -0.060 19657 3259 1 11 . 1 1 40 40 ASN C C 40 171.530 171.530 174.715 -3.185 19657 3260 1 11 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.504 -1.529 19657 3261 1 11 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.419 -4.239 19657 3262 1 11 . 1 1 40 40 ASN H H 40 9.467 9.467 8.535 0.932 19657 3263 1 11 . 1 1 41 41 ASN N N 41 120.183 120.183 116.211 3.972 19657 3264 1 11 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.519 0.156 19657 3265 1 11 . 1 1 41 41 ASN C C 41 171.964 171.964 174.972 -3.008 19657 3266 1 11 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.399 -5.031 19657 3267 1 11 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.594 -3.196 19657 3268 1 11 . 1 1 41 41 ASN H H 41 7.729 7.729 7.824 -0.095 19657 3269 1 11 . 1 1 42 42 LYS N N 42 119.700 119.700 117.654 2.046 19657 3270 1 11 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.073 -0.718 19657 3271 1 11 . 1 1 42 42 LYS CA C 42 54.550 54.550 54.896 -0.346 19657 3272 1 11 . 1 1 42 42 LYS CB C 42 30.627 30.627 35.750 -5.123 19657 3273 1 11 . 1 1 42 42 LYS H H 42 8.496 8.496 8.189 0.307 19657 3274 1 11 . 1 1 43 43 CYS N N 43 113.920 113.920 118.105 -4.185 19657 3275 1 11 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.526 -0.182 19657 3276 1 11 . 1 1 43 43 CYS C C 43 169.725 169.725 173.201 -3.476 19657 3277 1 11 . 1 1 43 43 CYS CA C 43 50.891 50.891 56.161 -5.270 19657 3278 1 11 . 1 1 43 43 CYS H H 43 7.542 7.542 9.309 -1.767 19657 3279 1 11 . 1 1 44 44 THR N N 44 113.141 113.141 113.549 -0.408 19657 3280 1 11 . 1 1 44 44 THR HA H 44 5.229 5.229 5.128 0.101 19657 3281 1 11 . 1 1 44 44 THR C C 44 169.993 169.993 173.360 -3.367 19657 3282 1 11 . 1 1 44 44 THR CA C 44 57.308 57.308 61.048 -3.740 19657 3283 1 11 . 1 1 44 44 THR CB C 44 69.607 69.607 71.640 -2.033 19657 3284 1 11 . 1 1 44 44 THR H H 44 8.987 8.987 8.861 0.126 19657 3285 1 11 . 1 1 45 45 VAL N N 45 121.909 121.909 122.783 -0.874 19657 3286 1 11 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.545 -0.058 19657 3287 1 11 . 1 1 45 45 VAL C C 45 171.182 171.182 173.666 -2.484 19657 3288 1 11 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.163 -3.094 19657 3289 1 11 . 1 1 45 45 VAL CB C 45 33.384 33.384 34.642 -1.258 19657 3290 1 11 . 1 1 45 45 VAL H H 45 8.571 8.571 7.989 0.582 19657 3291 1 11 . 1 1 46 46 ASP N N 46 126.446 126.446 126.958 -0.512 19657 3292 1 11 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.338 -0.011 19657 3293 1 11 . 1 1 46 46 ASP C C 46 175.630 175.630 176.938 -1.308 19657 3294 1 11 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.910 -3.655 19657 3295 1 11 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.161 -4.110 19657 3296 1 11 . 1 1 46 46 ASP H H 46 8.566 8.566 8.391 0.175 19657 3297 1 11 . 1 1 47 47 THR N N 47 114.273 114.273 119.079 -4.806 19657 3298 1 11 . 1 1 47 47 THR HA H 47 4.185 4.185 4.382 -0.197 19657 3299 1 11 . 1 1 47 47 THR C C 47 173.322 173.322 175.100 -1.778 19657 3300 1 11 . 1 1 47 47 THR CA C 47 60.559 60.559 64.156 -3.597 19657 3301 1 11 . 1 1 47 47 THR CB C 47 66.582 66.582 69.237 -2.655 19657 3302 1 11 . 1 1 47 47 THR H H 47 9.087 9.087 8.697 0.390 19657 3303 1 11 . 1 1 48 48 TYR N N 48 123.848 123.848 120.965 2.883 19657 3304 1 11 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.320 0.073 19657 3305 1 11 . 1 1 48 48 TYR C C 48 173.776 173.776 176.364 -2.588 19657 3306 1 11 . 1 1 48 48 TYR CA C 48 57.619 57.619 61.352 -3.733 19657 3307 1 11 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.873 -3.056 19657 3308 1 11 . 1 1 48 48 TYR H H 48 8.818 8.818 8.263 0.555 19657 3309 1 11 . 1 1 49 49 ASN N N 49 113.642 113.642 114.586 -0.944 19657 3310 1 11 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.815 -0.350 19657 3311 1 11 . 1 1 49 49 ASN C C 49 172.356 172.356 174.327 -1.971 19657 3312 1 11 . 1 1 49 49 ASN CA C 49 49.231 49.231 52.986 -3.755 19657 3313 1 11 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.583 -4.099 19657 3314 1 11 . 1 1 49 49 ASN H H 49 7.460 7.460 8.246 -0.786 19657 3315 1 11 . 1 1 50 50 ASN N N 50 117.167 117.167 115.317 1.850 19657 3316 1 11 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.458 -0.268 19657 3317 1 11 . 1 1 50 50 ASN C C 50 170.581 170.581 173.470 -2.889 19657 3318 1 11 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.245 -2.582 19657 3319 1 11 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.068 -2.866 19657 3320 1 11 . 1 1 50 50 ASN H H 50 7.886 7.886 7.891 -0.005 19657 3321 1 11 . 1 1 51 51 ALA N N 51 121.083 121.083 120.601 0.482 19657 3322 1 11 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.650 -0.218 19657 3323 1 11 . 1 1 51 51 ALA C C 51 174.002 174.002 176.031 -2.029 19657 3324 1 11 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.202 -1.599 19657 3325 1 11 . 1 1 51 51 ALA CB C 51 17.688 17.688 20.779 -3.091 19657 3326 1 11 . 1 1 51 51 ALA H H 51 7.843 7.843 7.576 0.267 19657 3327 1 11 . 1 1 52 52 VAL N N 52 125.592 125.592 119.228 6.364 19657 3328 1 11 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.266 -0.367 19657 3329 1 11 . 1 1 52 52 VAL C C 52 171.449 171.449 174.624 -3.175 19657 3330 1 11 . 1 1 52 52 VAL CA C 52 57.894 57.894 59.682 -1.788 19657 3331 1 11 . 1 1 52 52 VAL CB C 52 32.369 32.369 33.968 -1.599 19657 3332 1 11 . 1 1 52 52 VAL H H 52 8.241 8.241 8.390 -0.149 19657 3333 1 11 . 1 1 53 53 ASP N N 53 125.731 125.731 125.964 -0.233 19657 3334 1 11 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.972 -0.049 19657 3335 1 11 . 1 1 53 53 ASP C C 53 172.314 172.314 174.509 -2.195 19657 3336 1 11 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.899 -3.568 19657 3337 1 11 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.642 -3.880 19657 3338 1 11 . 1 1 53 53 ASP H H 53 8.613 8.613 8.823 -0.210 19657 3339 1 11 . 1 1 54 54 CYS N N 54 122.864 122.864 122.076 0.788 19657 3340 1 11 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.605 0.029 19657 3341 1 11 . 1 1 54 54 CYS C C 54 167.690 167.690 174.802 -7.112 19657 3342 1 11 . 1 1 54 54 CYS CA C 54 51.047 51.047 58.120 -7.073 19657 3343 1 11 . 1 1 54 54 CYS CB C 54 41.549 41.549 30.279 11.270 19657 3344 1 11 . 1 1 54 54 CYS H H 54 8.627 8.627 8.877 -0.250 19657 3345 1 12 . 1 1 2 2 LYS N N 2 119.803 119.803 118.912 0.891 19657 3346 1 12 . 1 1 2 2 LYS HA H 2 5.249 5.249 5.308 -0.059 19657 3347 1 12 . 1 1 2 2 LYS C C 2 172.912 172.912 175.514 -2.602 19657 3348 1 12 . 1 1 2 2 LYS CA C 2 52.189 52.189 54.522 -2.333 19657 3349 1 12 . 1 1 2 2 LYS CB C 2 31.708 31.708 34.500 -2.792 19657 3350 1 12 . 1 1 2 2 LYS H H 2 8.180 8.180 7.544 0.636 19657 3351 1 12 . 1 1 3 3 TYR N N 3 122.744 122.744 122.372 0.372 19657 3352 1 12 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.711 0.085 19657 3353 1 12 . 1 1 3 3 TYR C C 3 172.523 172.523 175.309 -2.786 19657 3354 1 12 . 1 1 3 3 TYR CA C 3 53.741 53.741 56.957 -3.216 19657 3355 1 12 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.641 -0.951 19657 3356 1 12 . 1 1 3 3 TYR H H 3 8.951 8.951 8.719 0.232 19657 3357 1 12 . 1 1 4 4 THR N N 4 117.010 117.010 119.388 -2.378 19657 3358 1 12 . 1 1 4 4 THR HA H 4 5.012 5.012 4.657 0.355 19657 3359 1 12 . 1 1 4 4 THR C C 4 171.489 171.489 174.239 -2.750 19657 3360 1 12 . 1 1 4 4 THR CA C 4 58.808 58.808 60.946 -2.138 19657 3361 1 12 . 1 1 4 4 THR CB C 4 67.837 67.837 69.389 -1.552 19657 3362 1 12 . 1 1 4 4 THR H H 4 8.870 8.870 8.604 0.266 19657 3363 1 12 . 1 1 5 5 GLY N N 5 115.340 115.340 112.086 3.254 19657 3364 1 12 . 1 1 5 5 GLY C C 5 171.505 171.505 172.074 -0.569 19657 3365 1 12 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.659 -2.593 19657 3366 1 12 . 1 1 5 5 GLY H H 5 9.116 9.116 7.923 1.193 19657 3367 1 12 . 1 1 6 6 LYS N N 6 121.120 121.120 119.407 1.713 19657 3368 1 12 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.200 0.189 19657 3369 1 12 . 1 1 6 6 LYS C C 6 174.162 174.162 175.763 -1.601 19657 3370 1 12 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.746 -3.102 19657 3371 1 12 . 1 1 6 6 LYS CB C 6 34.997 34.997 35.914 -0.917 19657 3372 1 12 . 1 1 6 6 LYS H H 6 8.408 8.408 8.305 0.103 19657 3373 1 12 . 1 1 7 7 CYS N N 7 122.530 122.530 118.624 3.906 19657 3374 1 12 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.679 0.653 19657 3375 1 12 . 1 1 7 7 CYS C C 7 169.635 169.635 173.640 -4.005 19657 3376 1 12 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.621 -5.211 19657 3377 1 12 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.374 11.271 19657 3378 1 12 . 1 1 7 7 CYS H H 7 9.795 9.795 8.686 1.109 19657 3379 1 12 . 1 1 8 8 THR N N 8 112.909 112.909 112.963 -0.054 19657 3380 1 12 . 1 1 8 8 THR HA H 8 4.690 4.690 4.874 -0.184 19657 3381 1 12 . 1 1 8 8 THR C C 8 172.048 172.048 175.206 -3.158 19657 3382 1 12 . 1 1 8 8 THR CA C 8 57.291 57.291 59.975 -2.684 19657 3383 1 12 . 1 1 8 8 THR CB C 8 68.608 68.608 71.832 -3.224 19657 3384 1 12 . 1 1 8 8 THR H H 8 8.630 8.630 8.001 0.629 19657 3385 1 12 . 1 1 9 9 LYS N N 9 127.151 127.151 123.138 4.013 19657 3386 1 12 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.279 -0.721 19657 3387 1 12 . 1 1 9 9 LYS C C 9 176.697 176.697 176.965 -0.268 19657 3388 1 12 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.331 -1.135 19657 3389 1 12 . 1 1 9 9 LYS CB C 9 31.079 31.079 31.934 -0.855 19657 3390 1 12 . 1 1 9 9 LYS H H 9 8.916 8.916 8.664 0.252 19657 3391 1 12 . 1 1 10 10 SER N N 10 116.323 116.323 115.103 1.220 19657 3392 1 12 . 1 1 10 10 SER C C 10 176.174 176.174 175.491 0.683 19657 3393 1 12 . 1 1 10 10 SER CA C 10 59.045 59.045 60.584 -1.539 19657 3394 1 12 . 1 1 10 10 SER H H 10 9.391 9.391 8.129 1.262 19657 3395 1 12 . 1 1 11 11 LYS N N 11 116.908 116.908 119.967 -3.059 19657 3396 1 12 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.298 -0.146 19657 3397 1 12 . 1 1 11 11 LYS C C 11 173.027 173.027 176.326 -3.299 19657 3398 1 12 . 1 1 11 11 LYS CA C 11 53.362 53.362 56.051 -2.689 19657 3399 1 12 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.483 -1.933 19657 3400 1 12 . 1 1 11 11 LYS H H 11 7.079 7.079 8.197 -1.118 19657 3401 1 12 . 1 1 12 12 ASN N N 12 120.313 120.313 116.942 3.371 19657 3402 1 12 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.498 0.087 19657 3403 1 12 . 1 1 12 12 ASN C C 12 171.411 171.411 173.142 -1.731 19657 3404 1 12 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.401 -3.527 19657 3405 1 12 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.662 -3.179 19657 3406 1 12 . 1 1 12 12 ASN H H 12 7.589 7.589 7.974 -0.385 19657 3407 1 12 . 1 1 13 13 GLU N N 13 114.653 114.653 117.102 -2.449 19657 3408 1 12 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.805 0.069 19657 3409 1 12 . 1 1 13 13 GLU C C 13 170.929 170.929 174.441 -3.512 19657 3410 1 12 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.707 -2.678 19657 3411 1 12 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.262 0.511 19657 3412 1 12 . 1 1 13 13 GLU H H 13 7.237 7.237 7.861 -0.624 19657 3413 1 12 . 1 1 14 14 CYS N N 14 123.273 123.273 123.966 -0.693 19657 3414 1 12 . 1 1 14 14 CYS HA H 14 4.632 4.632 4.997 -0.365 19657 3415 1 12 . 1 1 14 14 CYS C C 14 168.900 168.900 173.303 -4.403 19657 3416 1 12 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.335 -6.221 19657 3417 1 12 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.510 9.032 19657 3418 1 12 . 1 1 14 14 CYS H H 14 9.637 9.637 9.132 0.505 19657 3419 1 12 . 1 1 15 15 LYS N N 15 111.712 111.712 124.288 -12.576 19657 3420 1 12 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.137 -0.209 19657 3421 1 12 . 1 1 15 15 LYS C C 15 172.655 172.655 174.506 -1.851 19657 3422 1 12 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.212 -3.777 19657 3423 1 12 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.913 -3.441 19657 3424 1 12 . 1 1 15 15 LYS H H 15 8.620 8.620 8.646 -0.026 19657 3425 1 12 . 1 1 16 16 TYR N N 16 126.641 126.641 121.805 4.836 19657 3426 1 12 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.102 -0.197 19657 3427 1 12 . 1 1 16 16 TYR C C 16 168.924 168.924 173.589 -4.665 19657 3428 1 12 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.008 -2.915 19657 3429 1 12 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.868 -3.389 19657 3430 1 12 . 1 1 16 16 TYR H H 16 8.993 8.993 8.915 0.078 19657 3431 1 12 . 1 1 17 17 LYS N N 17 120.730 120.730 121.301 -0.571 19657 3432 1 12 . 1 1 17 17 LYS HA H 17 4.414 4.414 5.028 -0.614 19657 3433 1 12 . 1 1 17 17 LYS C C 17 173.386 173.386 176.150 -2.764 19657 3434 1 12 . 1 1 17 17 LYS CA C 17 51.694 51.694 54.960 -3.266 19657 3435 1 12 . 1 1 17 17 LYS CB C 17 30.894 30.894 34.786 -3.892 19657 3436 1 12 . 1 1 17 17 LYS H H 17 8.414 8.414 8.710 -0.296 19657 3437 1 12 . 1 1 18 18 ASN N N 18 122.104 122.104 121.759 0.345 19657 3438 1 12 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.266 -0.170 19657 3439 1 12 . 1 1 18 18 ASN C C 18 173.990 173.990 176.481 -2.491 19657 3440 1 12 . 1 1 18 18 ASN CA C 18 48.158 48.158 51.970 -3.812 19657 3441 1 12 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.048 -3.905 19657 3442 1 12 . 1 1 18 18 ASN H H 18 7.729 7.729 8.300 -0.571 19657 3443 1 12 . 1 1 19 19 ASP N N 19 117.316 117.316 120.692 -3.376 19657 3444 1 12 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.500 -0.127 19657 3445 1 12 . 1 1 19 19 ASP C C 19 173.929 173.929 176.816 -2.887 19657 3446 1 12 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.864 -2.599 19657 3447 1 12 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.663 -3.304 19657 3448 1 12 . 1 1 19 19 ASP H H 19 8.231 8.231 8.838 -0.607 19657 3449 1 12 . 1 1 20 20 ALA N N 20 120.814 120.814 120.667 0.147 19657 3450 1 12 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.342 0.053 19657 3451 1 12 . 1 1 20 20 ALA C C 20 174.854 174.854 178.154 -3.300 19657 3452 1 12 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.389 -3.624 19657 3453 1 12 . 1 1 20 20 ALA CB C 20 16.013 16.013 18.808 -2.795 19657 3454 1 12 . 1 1 20 20 ALA H H 20 7.413 7.413 8.071 -0.658 19657 3455 1 12 . 1 1 21 21 GLY N N 21 126.585 126.585 105.933 20.652 19657 3456 1 12 . 1 1 21 21 GLY C C 21 171.015 171.015 174.980 -3.965 19657 3457 1 12 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.087 -2.260 19657 3458 1 12 . 1 1 21 21 GLY H H 21 8.162 8.162 8.221 -0.059 19657 3459 1 12 . 1 1 22 22 LYS N N 22 120.322 120.322 122.133 -1.811 19657 3460 1 12 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.268 0.049 19657 3461 1 12 . 1 1 22 22 LYS C C 22 174.076 174.076 174.909 -0.833 19657 3462 1 12 . 1 1 22 22 LYS CA C 22 51.436 51.436 56.708 -5.272 19657 3463 1 12 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.386 -2.810 19657 3464 1 12 . 1 1 22 22 LYS H H 22 7.676 7.676 7.808 -0.132 19657 3465 1 12 . 1 1 23 23 ASP N N 23 126.455 126.455 121.456 4.999 19657 3466 1 12 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.909 -0.647 19657 3467 1 12 . 1 1 23 23 ASP C C 23 172.391 172.391 175.720 -3.329 19657 3468 1 12 . 1 1 23 23 ASP CA C 23 52.973 52.973 54.265 -1.292 19657 3469 1 12 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.779 -3.656 19657 3470 1 12 . 1 1 23 23 ASP H H 23 8.619 8.619 8.465 0.154 19657 3471 1 12 . 1 1 24 24 THR N N 24 122.762 122.762 120.193 2.569 19657 3472 1 12 . 1 1 24 24 THR HA H 24 4.009 4.009 4.447 -0.438 19657 3473 1 12 . 1 1 24 24 THR C C 24 167.562 167.562 172.843 -5.281 19657 3474 1 12 . 1 1 24 24 THR CA C 24 59.223 59.223 60.974 -1.751 19657 3475 1 12 . 1 1 24 24 THR CB C 24 67.985 67.985 70.529 -2.544 19657 3476 1 12 . 1 1 24 24 THR H H 24 8.773 8.773 8.908 -0.135 19657 3477 1 12 . 1 1 25 25 PHE N N 25 122.224 122.224 123.080 -0.856 19657 3478 1 12 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.348 0.034 19657 3479 1 12 . 1 1 25 25 PHE C C 25 172.781 172.781 173.963 -1.182 19657 3480 1 12 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.242 -1.645 19657 3481 1 12 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.481 -2.236 19657 3482 1 12 . 1 1 25 25 PHE H H 25 8.314 8.314 7.619 0.695 19657 3483 1 12 . 1 1 26 26 ILE N N 26 123.050 123.050 123.499 -0.449 19657 3484 1 12 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.526 0.090 19657 3485 1 12 . 1 1 26 26 ILE C C 26 170.373 170.373 174.246 -3.873 19657 3486 1 12 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.400 -2.556 19657 3487 1 12 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.883 -3.408 19657 3488 1 12 . 1 1 26 26 ILE H H 26 9.093 9.093 8.922 0.171 19657 3489 1 12 . 1 1 27 27 LYS N N 27 126.928 126.928 124.907 2.021 19657 3490 1 12 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.299 -0.108 19657 3491 1 12 . 1 1 27 27 LYS C C 27 174.551 174.551 175.547 -0.996 19657 3492 1 12 . 1 1 27 27 LYS CA C 27 55.166 55.166 56.182 -1.016 19657 3493 1 12 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.303 -2.723 19657 3494 1 12 . 1 1 27 27 LYS H H 27 8.309 8.309 8.281 0.028 19657 3495 1 12 . 1 1 28 28 CYS N N 28 119.357 119.357 121.853 -2.496 19657 3496 1 12 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.931 -0.359 19657 3497 1 12 . 1 1 28 28 CYS C C 28 169.287 169.287 172.937 -3.650 19657 3498 1 12 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.327 -4.786 19657 3499 1 12 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.013 10.574 19657 3500 1 12 . 1 1 28 28 CYS H H 28 8.414 8.414 8.725 -0.311 19657 3501 1 12 . 1 1 30 30 LYS N N 30 116.481 116.481 119.916 -3.435 19657 3502 1 12 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.245 -0.289 19657 3503 1 12 . 1 1 30 30 LYS C C 30 173.819 173.819 176.106 -2.287 19657 3504 1 12 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.395 -2.898 19657 3505 1 12 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.394 -2.304 19657 3506 1 12 . 1 1 30 30 LYS H H 30 8.004 8.004 8.491 -0.487 19657 3507 1 12 . 1 1 31 31 PHE N N 31 116.963 116.963 118.803 -1.840 19657 3508 1 12 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.419 0.058 19657 3509 1 12 . 1 1 31 31 PHE C C 31 173.518 173.518 176.597 -3.079 19657 3510 1 12 . 1 1 31 31 PHE CA C 31 54.044 54.044 57.858 -3.814 19657 3511 1 12 . 1 1 31 31 PHE CB C 31 37.643 37.643 39.939 -2.296 19657 3512 1 12 . 1 1 31 31 PHE H H 31 6.424 6.424 7.748 -1.324 19657 3513 1 12 . 1 1 32 32 ASP N N 32 121.612 121.612 122.426 -0.814 19657 3514 1 12 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.357 -0.221 19657 3515 1 12 . 1 1 32 32 ASP C C 32 173.688 173.688 176.858 -3.170 19657 3516 1 12 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.495 -1.702 19657 3517 1 12 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.583 -2.691 19657 3518 1 12 . 1 1 32 32 ASP H H 32 8.800 8.800 8.868 -0.068 19657 3519 1 12 . 1 1 33 33 ASN N N 33 113.168 113.168 116.775 -3.607 19657 3520 1 12 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.595 -0.032 19657 3521 1 12 . 1 1 33 33 ASN C C 33 172.656 172.656 175.314 -2.658 19657 3522 1 12 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.508 -3.146 19657 3523 1 12 . 1 1 33 33 ASN CB C 33 34.754 34.754 39.043 -4.289 19657 3524 1 12 . 1 1 33 33 ASN H H 33 8.455 8.455 8.303 0.152 19657 3525 1 12 . 1 1 34 34 LYS N N 34 117.622 117.622 118.594 -0.972 19657 3526 1 12 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.536 0.328 19657 3527 1 12 . 1 1 34 34 LYS C C 34 171.666 171.666 174.116 -2.450 19657 3528 1 12 . 1 1 34 34 LYS CA C 34 52.148 52.148 55.930 -3.782 19657 3529 1 12 . 1 1 34 34 LYS CB C 34 32.813 32.813 34.802 -1.989 19657 3530 1 12 . 1 1 34 34 LYS H H 34 7.676 7.676 7.910 -0.234 19657 3531 1 12 . 1 1 35 35 LYS N N 35 116.880 116.880 119.759 -2.879 19657 3532 1 12 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.583 -0.084 19657 3533 1 12 . 1 1 35 35 LYS C C 35 172.133 172.133 174.712 -2.579 19657 3534 1 12 . 1 1 35 35 LYS CA C 35 52.155 52.155 55.201 -3.046 19657 3535 1 12 . 1 1 35 35 LYS CB C 35 30.775 30.775 36.807 -6.032 19657 3536 1 12 . 1 1 35 35 LYS H H 35 6.927 6.927 8.061 -1.134 19657 3537 1 12 . 1 1 36 36 CYS N N 36 117.678 117.678 119.197 -1.519 19657 3538 1 12 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.814 -0.127 19657 3539 1 12 . 1 1 36 36 CYS C C 36 174.909 174.909 176.375 -1.466 19657 3540 1 12 . 1 1 36 36 CYS CA C 36 53.356 53.356 58.343 -4.987 19657 3541 1 12 . 1 1 36 36 CYS CB C 36 38.703 38.703 27.298 11.405 19657 3542 1 12 . 1 1 36 36 CYS H H 36 8.572 8.572 8.631 -0.059 19657 3543 1 12 . 1 1 37 37 THR N N 37 121.872 121.872 117.465 4.407 19657 3544 1 12 . 1 1 37 37 THR HA H 37 4.219 4.219 4.331 -0.112 19657 3545 1 12 . 1 1 37 37 THR C C 37 172.565 172.565 174.057 -1.492 19657 3546 1 12 . 1 1 37 37 THR CA C 37 60.478 60.478 63.024 -2.546 19657 3547 1 12 . 1 1 37 37 THR CB C 37 68.235 68.235 69.410 -1.175 19657 3548 1 12 . 1 1 37 37 THR H H 37 10.105 10.105 8.742 1.363 19657 3549 1 12 . 1 1 38 38 LYS N N 38 122.020 122.020 120.727 1.293 19657 3550 1 12 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.609 -0.454 19657 3551 1 12 . 1 1 38 38 LYS C C 38 170.713 170.713 174.423 -3.710 19657 3552 1 12 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.596 -0.730 19657 3553 1 12 . 1 1 38 38 LYS CB C 38 32.499 32.499 36.121 -3.623 19657 3554 1 12 . 1 1 38 38 LYS H H 38 7.258 7.258 7.419 -0.161 19657 3555 1 12 . 1 1 39 39 ASP N N 39 124.776 124.776 119.927 4.849 19657 3556 1 12 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.554 0.023 19657 3557 1 12 . 1 1 39 39 ASP C C 39 175.068 175.068 176.694 -1.626 19657 3558 1 12 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.282 -0.249 19657 3559 1 12 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.256 -3.802 19657 3560 1 12 . 1 1 39 39 ASP H H 39 8.783 8.783 8.350 0.433 19657 3561 1 12 . 1 1 40 40 ASN N N 40 114.764 114.764 115.658 -0.894 19657 3562 1 12 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.344 -0.082 19657 3563 1 12 . 1 1 40 40 ASN C C 40 171.530 171.530 174.927 -3.397 19657 3564 1 12 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.527 -1.552 19657 3565 1 12 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.313 -4.133 19657 3566 1 12 . 1 1 40 40 ASN H H 40 9.467 9.467 8.479 0.988 19657 3567 1 12 . 1 1 41 41 ASN N N 41 120.183 120.183 117.154 3.029 19657 3568 1 12 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.628 0.047 19657 3569 1 12 . 1 1 41 41 ASN C C 41 171.964 171.964 174.660 -2.696 19657 3570 1 12 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.630 -5.262 19657 3571 1 12 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.352 -2.954 19657 3572 1 12 . 1 1 41 41 ASN H H 41 7.729 7.729 8.289 -0.560 19657 3573 1 12 . 1 1 42 42 LYS N N 42 119.700 119.700 117.962 1.738 19657 3574 1 12 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.218 -0.863 19657 3575 1 12 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.340 -0.790 19657 3576 1 12 . 1 1 42 42 LYS CB C 42 30.627 30.627 36.096 -5.469 19657 3577 1 12 . 1 1 42 42 LYS H H 42 8.496 8.496 8.543 -0.047 19657 3578 1 12 . 1 1 43 43 CYS N N 43 113.920 113.920 118.795 -4.875 19657 3579 1 12 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.509 -0.165 19657 3580 1 12 . 1 1 43 43 CYS C C 43 169.725 169.725 174.052 -4.327 19657 3581 1 12 . 1 1 43 43 CYS CA C 43 50.891 50.891 56.729 -5.838 19657 3582 1 12 . 1 1 43 43 CYS H H 43 7.542 7.542 9.255 -1.713 19657 3583 1 12 . 1 1 44 44 THR N N 44 113.141 113.141 114.621 -1.480 19657 3584 1 12 . 1 1 44 44 THR HA H 44 5.229 5.229 5.047 0.182 19657 3585 1 12 . 1 1 44 44 THR C C 44 169.993 169.993 173.396 -3.403 19657 3586 1 12 . 1 1 44 44 THR CA C 44 57.308 57.308 61.366 -4.058 19657 3587 1 12 . 1 1 44 44 THR CB C 44 69.607 69.607 71.614 -2.007 19657 3588 1 12 . 1 1 44 44 THR H H 44 8.987 8.987 8.919 0.068 19657 3589 1 12 . 1 1 45 45 VAL N N 45 121.909 121.909 123.234 -1.325 19657 3590 1 12 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.551 -0.064 19657 3591 1 12 . 1 1 45 45 VAL C C 45 171.182 171.182 173.664 -2.482 19657 3592 1 12 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.282 -3.213 19657 3593 1 12 . 1 1 45 45 VAL CB C 45 33.384 33.384 35.115 -1.731 19657 3594 1 12 . 1 1 45 45 VAL H H 45 8.571 8.571 8.162 0.409 19657 3595 1 12 . 1 1 46 46 ASP N N 46 126.446 126.446 125.993 0.453 19657 3596 1 12 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.403 -0.076 19657 3597 1 12 . 1 1 46 46 ASP C C 46 175.630 175.630 176.765 -1.135 19657 3598 1 12 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.005 -2.750 19657 3599 1 12 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.360 -4.309 19657 3600 1 12 . 1 1 46 46 ASP H H 46 8.566 8.566 8.348 0.218 19657 3601 1 12 . 1 1 47 47 THR N N 47 114.273 114.273 119.672 -5.399 19657 3602 1 12 . 1 1 47 47 THR HA H 47 4.185 4.185 4.419 -0.234 19657 3603 1 12 . 1 1 47 47 THR C C 47 173.322 173.322 174.897 -1.575 19657 3604 1 12 . 1 1 47 47 THR CA C 47 60.559 60.559 63.800 -3.241 19657 3605 1 12 . 1 1 47 47 THR CB C 47 66.582 66.582 69.404 -2.822 19657 3606 1 12 . 1 1 47 47 THR H H 47 9.087 9.087 8.205 0.882 19657 3607 1 12 . 1 1 48 48 TYR N N 48 123.848 123.848 121.121 2.727 19657 3608 1 12 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.502 -0.109 19657 3609 1 12 . 1 1 48 48 TYR C C 48 173.776 173.776 176.222 -2.446 19657 3610 1 12 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.550 -2.930 19657 3611 1 12 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.948 -3.131 19657 3612 1 12 . 1 1 48 48 TYR H H 48 8.818 8.818 8.038 0.780 19657 3613 1 12 . 1 1 49 49 ASN N N 49 113.642 113.642 114.875 -1.233 19657 3614 1 12 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.858 -0.393 19657 3615 1 12 . 1 1 49 49 ASN C C 49 172.356 172.356 174.392 -2.036 19657 3616 1 12 . 1 1 49 49 ASN CA C 49 49.231 49.231 53.058 -3.827 19657 3617 1 12 . 1 1 49 49 ASN CB C 49 34.484 34.484 39.223 -4.739 19657 3618 1 12 . 1 1 49 49 ASN H H 49 7.460 7.460 7.992 -0.532 19657 3619 1 12 . 1 1 50 50 ASN N N 50 117.167 117.167 115.229 1.938 19657 3620 1 12 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.499 -0.309 19657 3621 1 12 . 1 1 50 50 ASN C C 50 170.581 170.581 173.631 -3.050 19657 3622 1 12 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.465 -2.802 19657 3623 1 12 . 1 1 50 50 ASN CB C 50 34.202 34.202 36.214 -2.012 19657 3624 1 12 . 1 1 50 50 ASN H H 50 7.886 7.886 7.873 0.013 19657 3625 1 12 . 1 1 51 51 ALA N N 51 121.083 121.083 120.786 0.297 19657 3626 1 12 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.609 -0.177 19657 3627 1 12 . 1 1 51 51 ALA C C 51 174.002 174.002 176.017 -2.015 19657 3628 1 12 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.296 -1.693 19657 3629 1 12 . 1 1 51 51 ALA CB C 51 17.688 17.688 21.050 -3.362 19657 3630 1 12 . 1 1 51 51 ALA H H 51 7.843 7.843 7.486 0.357 19657 3631 1 12 . 1 1 52 52 VAL N N 52 125.592 125.592 119.767 5.825 19657 3632 1 12 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.210 -0.311 19657 3633 1 12 . 1 1 52 52 VAL C C 52 171.449 171.449 174.481 -3.032 19657 3634 1 12 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.202 -2.308 19657 3635 1 12 . 1 1 52 52 VAL CB C 52 32.369 32.369 34.486 -2.117 19657 3636 1 12 . 1 1 52 52 VAL H H 52 8.241 8.241 8.223 0.018 19657 3637 1 12 . 1 1 53 53 ASP N N 53 125.731 125.731 125.722 0.009 19657 3638 1 12 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.974 -0.051 19657 3639 1 12 . 1 1 53 53 ASP C C 53 172.314 172.314 174.270 -1.956 19657 3640 1 12 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.682 -3.351 19657 3641 1 12 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.368 -3.606 19657 3642 1 12 . 1 1 53 53 ASP H H 53 8.613 8.613 8.760 -0.147 19657 3643 1 12 . 1 1 54 54 CYS N N 54 122.864 122.864 123.689 -0.825 19657 3644 1 12 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.636 -0.002 19657 3645 1 12 . 1 1 54 54 CYS C C 54 167.690 167.690 174.415 -6.725 19657 3646 1 12 . 1 1 54 54 CYS CA C 54 51.047 51.047 58.000 -6.953 19657 3647 1 12 . 1 1 54 54 CYS CB C 54 41.549 41.549 29.643 11.906 19657 3648 1 12 . 1 1 54 54 CYS H H 54 8.627 8.627 8.905 -0.278 19657 3649 1 13 . 1 1 2 2 LYS N N 2 119.803 119.803 119.243 0.560 19657 3650 1 13 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.560 0.689 19657 3651 1 13 . 1 1 2 2 LYS C C 2 172.912 172.912 174.914 -2.002 19657 3652 1 13 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.811 -3.622 19657 3653 1 13 . 1 1 2 2 LYS CB C 2 31.708 31.708 33.657 -1.949 19657 3654 1 13 . 1 1 2 2 LYS H H 2 8.180 8.180 7.447 0.734 19657 3655 1 13 . 1 1 3 3 TYR N N 3 122.744 122.744 123.966 -1.222 19657 3656 1 13 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.768 0.028 19657 3657 1 13 . 1 1 3 3 TYR C C 3 172.523 172.523 174.870 -2.347 19657 3658 1 13 . 1 1 3 3 TYR CA C 3 53.741 53.741 56.821 -3.080 19657 3659 1 13 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.734 -1.044 19657 3660 1 13 . 1 1 3 3 TYR H H 3 8.951 8.951 8.242 0.709 19657 3661 1 13 . 1 1 4 4 THR N N 4 117.010 117.010 119.359 -2.349 19657 3662 1 13 . 1 1 4 4 THR HA H 4 5.012 5.012 4.658 0.354 19657 3663 1 13 . 1 1 4 4 THR C C 4 171.489 171.489 173.965 -2.476 19657 3664 1 13 . 1 1 4 4 THR CA C 4 58.808 58.808 60.780 -1.972 19657 3665 1 13 . 1 1 4 4 THR CB C 4 67.837 67.837 69.706 -1.869 19657 3666 1 13 . 1 1 4 4 THR H H 4 8.870 8.870 8.715 0.155 19657 3667 1 13 . 1 1 5 5 GLY N N 5 115.340 115.340 114.635 0.705 19657 3668 1 13 . 1 1 5 5 GLY C C 5 171.505 171.505 172.104 -0.599 19657 3669 1 13 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.763 -2.697 19657 3670 1 13 . 1 1 5 5 GLY H H 5 9.116 9.116 8.071 1.045 19657 3671 1 13 . 1 1 6 6 LYS N N 6 121.120 121.120 119.662 1.458 19657 3672 1 13 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.295 0.094 19657 3673 1 13 . 1 1 6 6 LYS C C 6 174.162 174.162 175.834 -1.672 19657 3674 1 13 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.767 -3.123 19657 3675 1 13 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.332 -1.335 19657 3676 1 13 . 1 1 6 6 LYS H H 6 8.408 8.408 8.261 0.147 19657 3677 1 13 . 1 1 7 7 CYS N N 7 122.530 122.530 120.240 2.290 19657 3678 1 13 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.699 0.633 19657 3679 1 13 . 1 1 7 7 CYS C C 7 169.635 169.635 173.694 -4.059 19657 3680 1 13 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.866 -5.456 19657 3681 1 13 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.612 11.033 19657 3682 1 13 . 1 1 7 7 CYS H H 7 9.795 9.795 8.254 1.541 19657 3683 1 13 . 1 1 8 8 THR N N 8 112.909 112.909 113.756 -0.847 19657 3684 1 13 . 1 1 8 8 THR HA H 8 4.690 4.690 4.865 -0.175 19657 3685 1 13 . 1 1 8 8 THR C C 8 172.048 172.048 175.396 -3.348 19657 3686 1 13 . 1 1 8 8 THR CA C 8 57.291 57.291 60.276 -2.985 19657 3687 1 13 . 1 1 8 8 THR CB C 8 68.608 68.608 71.784 -3.176 19657 3688 1 13 . 1 1 8 8 THR H H 8 8.630 8.630 8.516 0.114 19657 3689 1 13 . 1 1 9 9 LYS N N 9 127.151 127.151 123.272 3.879 19657 3690 1 13 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.134 -0.576 19657 3691 1 13 . 1 1 9 9 LYS C C 9 176.697 176.697 177.061 -0.364 19657 3692 1 13 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.370 -1.174 19657 3693 1 13 . 1 1 9 9 LYS CB C 9 31.079 31.079 31.816 -0.737 19657 3694 1 13 . 1 1 9 9 LYS H H 9 8.916 8.916 8.581 0.335 19657 3695 1 13 . 1 1 10 10 SER N N 10 116.323 116.323 115.837 0.486 19657 3696 1 13 . 1 1 10 10 SER C C 10 176.174 176.174 174.997 1.177 19657 3697 1 13 . 1 1 10 10 SER CA C 10 59.045 59.045 60.556 -1.511 19657 3698 1 13 . 1 1 10 10 SER H H 10 9.391 9.391 7.948 1.443 19657 3699 1 13 . 1 1 11 11 LYS N N 11 116.908 116.908 117.760 -0.852 19657 3700 1 13 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.431 -0.280 19657 3701 1 13 . 1 1 11 11 LYS C C 11 173.027 173.027 175.744 -2.717 19657 3702 1 13 . 1 1 11 11 LYS CA C 11 53.362 53.362 55.631 -2.269 19657 3703 1 13 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.751 -2.201 19657 3704 1 13 . 1 1 11 11 LYS H H 11 7.079 7.079 8.202 -1.123 19657 3705 1 13 . 1 1 12 12 ASN N N 12 120.313 120.313 118.432 1.881 19657 3706 1 13 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.424 0.161 19657 3707 1 13 . 1 1 12 12 ASN C C 12 171.411 171.411 173.773 -2.362 19657 3708 1 13 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.218 -3.344 19657 3709 1 13 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.247 -2.764 19657 3710 1 13 . 1 1 12 12 ASN H H 12 7.589 7.589 8.170 -0.581 19657 3711 1 13 . 1 1 13 13 GLU N N 13 114.653 114.653 117.067 -2.414 19657 3712 1 13 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.690 0.184 19657 3713 1 13 . 1 1 13 13 GLU C C 13 170.929 170.929 174.323 -3.394 19657 3714 1 13 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.747 -2.718 19657 3715 1 13 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.531 0.242 19657 3716 1 13 . 1 1 13 13 GLU H H 13 7.237 7.237 7.628 -0.391 19657 3717 1 13 . 1 1 14 14 CYS N N 14 123.273 123.273 122.530 0.743 19657 3718 1 13 . 1 1 14 14 CYS HA H 14 4.632 4.632 5.232 -0.600 19657 3719 1 13 . 1 1 14 14 CYS C C 14 168.900 168.900 173.139 -4.239 19657 3720 1 13 . 1 1 14 14 CYS CA C 14 51.114 51.114 56.512 -5.398 19657 3721 1 13 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.695 8.847 19657 3722 1 13 . 1 1 14 14 CYS H H 14 9.637 9.637 9.123 0.513 19657 3723 1 13 . 1 1 15 15 LYS N N 15 111.712 111.712 125.208 -13.496 19657 3724 1 13 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.277 -0.349 19657 3725 1 13 . 1 1 15 15 LYS C C 15 172.655 172.655 174.496 -1.841 19657 3726 1 13 . 1 1 15 15 LYS CA C 15 51.435 51.435 54.963 -3.528 19657 3727 1 13 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.606 -3.134 19657 3728 1 13 . 1 1 15 15 LYS H H 15 8.620 8.620 8.806 -0.186 19657 3729 1 13 . 1 1 16 16 TYR N N 16 126.641 126.641 119.059 7.582 19657 3730 1 13 . 1 1 16 16 TYR HA H 16 4.905 4.905 4.960 -0.055 19657 3731 1 13 . 1 1 16 16 TYR C C 16 168.924 168.924 173.239 -4.315 19657 3732 1 13 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.861 -3.768 19657 3733 1 13 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.676 -3.197 19657 3734 1 13 . 1 1 16 16 TYR H H 16 8.993 8.993 9.033 -0.040 19657 3735 1 13 . 1 1 17 17 LYS N N 17 120.730 120.730 121.234 -0.504 19657 3736 1 13 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.534 -0.119 19657 3737 1 13 . 1 1 17 17 LYS C C 17 173.386 173.386 175.948 -2.562 19657 3738 1 13 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.104 -3.410 19657 3739 1 13 . 1 1 17 17 LYS CB C 17 30.894 30.894 34.423 -3.529 19657 3740 1 13 . 1 1 17 17 LYS H H 17 8.414 8.414 8.630 -0.216 19657 3741 1 13 . 1 1 18 18 ASN N N 18 122.104 122.104 122.623 -0.519 19657 3742 1 13 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.094 0.002 19657 3743 1 13 . 1 1 18 18 ASN C C 18 173.990 173.990 176.103 -2.113 19657 3744 1 13 . 1 1 18 18 ASN CA C 18 48.158 48.158 51.136 -2.978 19657 3745 1 13 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.132 -3.989 19657 3746 1 13 . 1 1 18 18 ASN H H 18 7.729 7.729 8.093 -0.364 19657 3747 1 13 . 1 1 19 19 ASP N N 19 117.316 117.316 116.958 0.358 19657 3748 1 13 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.471 -0.098 19657 3749 1 13 . 1 1 19 19 ASP C C 19 173.929 173.929 176.631 -2.702 19657 3750 1 13 . 1 1 19 19 ASP CA C 19 54.265 54.265 57.053 -2.788 19657 3751 1 13 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.236 -2.877 19657 3752 1 13 . 1 1 19 19 ASP H H 19 8.231 8.231 8.693 -0.462 19657 3753 1 13 . 1 1 20 20 ALA N N 20 120.814 120.814 121.846 -1.032 19657 3754 1 13 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.236 0.159 19657 3755 1 13 . 1 1 20 20 ALA C C 20 174.854 174.854 178.040 -3.186 19657 3756 1 13 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.381 -3.616 19657 3757 1 13 . 1 1 20 20 ALA CB C 20 16.013 16.013 18.994 -2.981 19657 3758 1 13 . 1 1 20 20 ALA H H 20 7.413 7.413 7.993 -0.580 19657 3759 1 13 . 1 1 21 21 GLY N N 21 126.585 126.585 105.726 20.859 19657 3760 1 13 . 1 1 21 21 GLY C C 21 171.015 171.015 174.206 -3.191 19657 3761 1 13 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.070 -2.243 19657 3762 1 13 . 1 1 21 21 GLY H H 21 8.162 8.162 7.886 0.276 19657 3763 1 13 . 1 1 22 22 LYS N N 22 120.322 120.322 121.842 -1.520 19657 3764 1 13 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.198 0.119 19657 3765 1 13 . 1 1 22 22 LYS C C 22 174.076 174.076 174.649 -0.573 19657 3766 1 13 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.498 -4.061 19657 3767 1 13 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.589 -3.013 19657 3768 1 13 . 1 1 22 22 LYS H H 22 7.676 7.676 7.559 0.117 19657 3769 1 13 . 1 1 23 23 ASP N N 23 126.455 126.455 120.708 5.747 19657 3770 1 13 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.307 -0.045 19657 3771 1 13 . 1 1 23 23 ASP C C 23 172.391 172.391 175.442 -3.051 19657 3772 1 13 . 1 1 23 23 ASP CA C 23 52.973 52.973 53.754 -0.781 19657 3773 1 13 . 1 1 23 23 ASP CB C 23 38.123 38.123 40.866 -2.743 19657 3774 1 13 . 1 1 23 23 ASP H H 23 8.619 8.619 8.306 0.313 19657 3775 1 13 . 1 1 24 24 THR N N 24 122.762 122.762 118.390 4.372 19657 3776 1 13 . 1 1 24 24 THR HA H 24 4.009 4.009 4.166 -0.157 19657 3777 1 13 . 1 1 24 24 THR C C 24 167.562 167.562 172.569 -5.007 19657 3778 1 13 . 1 1 24 24 THR CA C 24 59.223 59.223 61.003 -1.780 19657 3779 1 13 . 1 1 24 24 THR CB C 24 67.985 67.985 70.571 -2.586 19657 3780 1 13 . 1 1 24 24 THR H H 24 8.773 8.773 8.406 0.367 19657 3781 1 13 . 1 1 25 25 PHE N N 25 122.224 122.224 125.184 -2.960 19657 3782 1 13 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.247 0.135 19657 3783 1 13 . 1 1 25 25 PHE C C 25 172.781 172.781 175.186 -2.405 19657 3784 1 13 . 1 1 25 25 PHE CA C 25 53.597 53.597 56.381 -2.784 19657 3785 1 13 . 1 1 25 25 PHE CB C 25 39.245 39.245 40.973 -1.728 19657 3786 1 13 . 1 1 25 25 PHE H H 25 8.314 8.314 8.313 0.001 19657 3787 1 13 . 1 1 26 26 ILE N N 26 123.050 123.050 124.545 -1.495 19657 3788 1 13 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.637 -0.021 19657 3789 1 13 . 1 1 26 26 ILE C C 26 170.373 170.373 174.346 -3.973 19657 3790 1 13 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.513 -2.669 19657 3791 1 13 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.692 -3.217 19657 3792 1 13 . 1 1 26 26 ILE H H 26 9.093 9.093 9.180 -0.087 19657 3793 1 13 . 1 1 27 27 LYS N N 27 126.928 126.928 125.791 1.137 19657 3794 1 13 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.343 -0.152 19657 3795 1 13 . 1 1 27 27 LYS C C 27 174.551 174.551 175.788 -1.237 19657 3796 1 13 . 1 1 27 27 LYS CA C 27 55.166 55.166 55.794 -0.628 19657 3797 1 13 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.160 -2.580 19657 3798 1 13 . 1 1 27 27 LYS H H 27 8.309 8.309 8.254 0.055 19657 3799 1 13 . 1 1 28 28 CYS N N 28 119.357 119.357 121.622 -2.265 19657 3800 1 13 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.833 -0.261 19657 3801 1 13 . 1 1 28 28 CYS C C 28 169.287 169.287 173.054 -3.767 19657 3802 1 13 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.257 -4.716 19657 3803 1 13 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.713 9.874 19657 3804 1 13 . 1 1 28 28 CYS H H 28 8.414 8.414 8.345 0.069 19657 3805 1 13 . 1 1 30 30 LYS N N 30 116.481 116.481 120.638 -4.157 19657 3806 1 13 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.274 -0.318 19657 3807 1 13 . 1 1 30 30 LYS C C 30 173.819 173.819 176.024 -2.205 19657 3808 1 13 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.573 -3.076 19657 3809 1 13 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.484 -2.394 19657 3810 1 13 . 1 1 30 30 LYS H H 30 8.004 8.004 8.411 -0.407 19657 3811 1 13 . 1 1 31 31 PHE N N 31 116.963 116.963 118.764 -1.801 19657 3812 1 13 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.511 -0.034 19657 3813 1 13 . 1 1 31 31 PHE C C 31 173.518 173.518 177.281 -3.763 19657 3814 1 13 . 1 1 31 31 PHE CA C 31 54.044 54.044 58.356 -4.312 19657 3815 1 13 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.128 -2.485 19657 3816 1 13 . 1 1 31 31 PHE H H 31 6.424 6.424 7.808 -1.384 19657 3817 1 13 . 1 1 32 32 ASP N N 32 121.612 121.612 123.021 -1.409 19657 3818 1 13 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.391 -0.255 19657 3819 1 13 . 1 1 32 32 ASP C C 32 173.688 173.688 177.080 -3.392 19657 3820 1 13 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.746 -1.953 19657 3821 1 13 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.924 -3.032 19657 3822 1 13 . 1 1 32 32 ASP H H 32 8.800 8.800 8.938 -0.138 19657 3823 1 13 . 1 1 33 33 ASN N N 33 113.168 113.168 116.682 -3.514 19657 3824 1 13 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.622 -0.059 19657 3825 1 13 . 1 1 33 33 ASN C C 33 172.656 172.656 175.239 -2.583 19657 3826 1 13 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.528 -3.166 19657 3827 1 13 . 1 1 33 33 ASN CB C 33 34.754 34.754 39.166 -4.412 19657 3828 1 13 . 1 1 33 33 ASN H H 33 8.455 8.455 8.314 0.141 19657 3829 1 13 . 1 1 34 34 LYS N N 34 117.622 117.622 117.850 -0.228 19657 3830 1 13 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.527 0.337 19657 3831 1 13 . 1 1 34 34 LYS C C 34 171.666 171.666 173.941 -2.275 19657 3832 1 13 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.278 -4.130 19657 3833 1 13 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.028 -2.215 19657 3834 1 13 . 1 1 34 34 LYS H H 34 7.676 7.676 7.756 -0.080 19657 3835 1 13 . 1 1 35 35 LYS N N 35 116.880 116.880 118.119 -1.239 19657 3836 1 13 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.698 -0.199 19657 3837 1 13 . 1 1 35 35 LYS C C 35 172.133 172.133 174.766 -2.633 19657 3838 1 13 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.699 -2.544 19657 3839 1 13 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.501 -4.726 19657 3840 1 13 . 1 1 35 35 LYS H H 35 6.927 6.927 7.899 -0.972 19657 3841 1 13 . 1 1 36 36 CYS N N 36 117.678 117.678 119.932 -2.254 19657 3842 1 13 . 1 1 36 36 CYS HA H 36 4.687 4.687 5.098 -0.411 19657 3843 1 13 . 1 1 36 36 CYS C C 36 174.909 174.909 176.671 -1.762 19657 3844 1 13 . 1 1 36 36 CYS CA C 36 53.356 53.356 58.194 -4.838 19657 3845 1 13 . 1 1 36 36 CYS CB C 36 38.703 38.703 27.164 11.539 19657 3846 1 13 . 1 1 36 36 CYS H H 36 8.572 8.572 8.816 -0.244 19657 3847 1 13 . 1 1 37 37 THR N N 37 121.872 121.872 117.495 4.377 19657 3848 1 13 . 1 1 37 37 THR HA H 37 4.219 4.219 4.350 -0.131 19657 3849 1 13 . 1 1 37 37 THR C C 37 172.565 172.565 173.814 -1.249 19657 3850 1 13 . 1 1 37 37 THR CA C 37 60.478 60.478 63.267 -2.789 19657 3851 1 13 . 1 1 37 37 THR CB C 37 68.235 68.235 69.804 -1.569 19657 3852 1 13 . 1 1 37 37 THR H H 37 10.105 10.105 8.360 1.745 19657 3853 1 13 . 1 1 38 38 LYS N N 38 122.020 122.020 121.072 0.948 19657 3854 1 13 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.544 -0.389 19657 3855 1 13 . 1 1 38 38 LYS C C 38 170.713 170.713 174.536 -3.823 19657 3856 1 13 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.274 -0.409 19657 3857 1 13 . 1 1 38 38 LYS CB C 38 32.499 32.499 35.276 -2.777 19657 3858 1 13 . 1 1 38 38 LYS H H 38 7.258 7.258 7.886 -0.628 19657 3859 1 13 . 1 1 39 39 ASP N N 39 124.776 124.776 122.142 2.634 19657 3860 1 13 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.654 -0.077 19657 3861 1 13 . 1 1 39 39 ASP C C 39 175.068 175.068 176.265 -1.197 19657 3862 1 13 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.783 -0.750 19657 3863 1 13 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.427 -3.973 19657 3864 1 13 . 1 1 39 39 ASP H H 39 8.783 8.783 8.573 0.210 19657 3865 1 13 . 1 1 40 40 ASN N N 40 114.764 114.764 116.652 -1.888 19657 3866 1 13 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.332 -0.070 19657 3867 1 13 . 1 1 40 40 ASN C C 40 171.530 171.530 174.546 -3.016 19657 3868 1 13 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.509 -1.534 19657 3869 1 13 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.274 -4.094 19657 3870 1 13 . 1 1 40 40 ASN H H 40 9.467 9.467 8.607 0.860 19657 3871 1 13 . 1 1 41 41 ASN N N 41 120.183 120.183 114.987 5.196 19657 3872 1 13 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.538 0.137 19657 3873 1 13 . 1 1 41 41 ASN C C 41 171.964 171.964 174.729 -2.765 19657 3874 1 13 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.460 -5.092 19657 3875 1 13 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.619 -3.221 19657 3876 1 13 . 1 1 41 41 ASN H H 41 7.729 7.729 8.023 -0.294 19657 3877 1 13 . 1 1 42 42 LYS N N 42 119.700 119.700 117.416 2.284 19657 3878 1 13 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.056 -0.701 19657 3879 1 13 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.332 -0.782 19657 3880 1 13 . 1 1 42 42 LYS CB C 42 30.627 30.627 35.592 -4.965 19657 3881 1 13 . 1 1 42 42 LYS H H 42 8.496 8.496 8.059 0.437 19657 3882 1 13 . 1 1 43 43 CYS N N 43 113.920 113.920 118.404 -4.484 19657 3883 1 13 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.575 -0.231 19657 3884 1 13 . 1 1 43 43 CYS C C 43 169.725 169.725 173.463 -3.738 19657 3885 1 13 . 1 1 43 43 CYS CA C 43 50.891 50.891 55.759 -4.868 19657 3886 1 13 . 1 1 43 43 CYS H H 43 7.542 7.542 9.311 -1.769 19657 3887 1 13 . 1 1 44 44 THR N N 44 113.141 113.141 112.965 0.176 19657 3888 1 13 . 1 1 44 44 THR HA H 44 5.229 5.229 4.902 0.327 19657 3889 1 13 . 1 1 44 44 THR C C 44 169.993 169.993 173.500 -3.507 19657 3890 1 13 . 1 1 44 44 THR CA C 44 57.308 57.308 61.086 -3.778 19657 3891 1 13 . 1 1 44 44 THR CB C 44 69.607 69.607 71.863 -2.256 19657 3892 1 13 . 1 1 44 44 THR H H 44 8.987 8.987 8.908 0.079 19657 3893 1 13 . 1 1 45 45 VAL N N 45 121.909 121.909 121.614 0.295 19657 3894 1 13 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.808 -0.321 19657 3895 1 13 . 1 1 45 45 VAL C C 45 171.182 171.182 173.598 -2.416 19657 3896 1 13 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.134 -3.065 19657 3897 1 13 . 1 1 45 45 VAL CB C 45 33.384 33.384 34.426 -1.042 19657 3898 1 13 . 1 1 45 45 VAL H H 45 8.571 8.571 8.039 0.532 19657 3899 1 13 . 1 1 46 46 ASP N N 46 126.446 126.446 125.103 1.343 19657 3900 1 13 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.223 0.104 19657 3901 1 13 . 1 1 46 46 ASP C C 46 175.630 175.630 176.311 -0.681 19657 3902 1 13 . 1 1 46 46 ASP CA C 46 49.255 49.255 51.736 -2.481 19657 3903 1 13 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.703 -4.652 19657 3904 1 13 . 1 1 46 46 ASP H H 46 8.566 8.566 8.387 0.179 19657 3905 1 13 . 1 1 47 47 THR N N 47 114.273 114.273 119.121 -4.848 19657 3906 1 13 . 1 1 47 47 THR HA H 47 4.185 4.185 4.386 -0.201 19657 3907 1 13 . 1 1 47 47 THR C C 47 173.322 173.322 175.020 -1.698 19657 3908 1 13 . 1 1 47 47 THR CA C 47 60.559 60.559 63.789 -3.230 19657 3909 1 13 . 1 1 47 47 THR CB C 47 66.582 66.582 68.933 -2.351 19657 3910 1 13 . 1 1 47 47 THR H H 47 9.087 9.087 8.719 0.368 19657 3911 1 13 . 1 1 48 48 TYR N N 48 123.848 123.848 121.038 2.810 19657 3912 1 13 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.336 0.057 19657 3913 1 13 . 1 1 48 48 TYR C C 48 173.776 173.776 176.907 -3.131 19657 3914 1 13 . 1 1 48 48 TYR CA C 48 57.619 57.619 61.654 -4.035 19657 3915 1 13 . 1 1 48 48 TYR CB C 48 35.817 35.817 39.144 -3.327 19657 3916 1 13 . 1 1 48 48 TYR H H 48 8.818 8.818 8.935 -0.117 19657 3917 1 13 . 1 1 49 49 ASN N N 49 113.642 113.642 113.606 0.036 19657 3918 1 13 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.817 -0.352 19657 3919 1 13 . 1 1 49 49 ASN C C 49 172.356 172.356 174.331 -1.975 19657 3920 1 13 . 1 1 49 49 ASN CA C 49 49.231 49.231 53.294 -4.062 19657 3921 1 13 . 1 1 49 49 ASN CB C 49 34.484 34.484 39.058 -4.574 19657 3922 1 13 . 1 1 49 49 ASN H H 49 7.460 7.460 8.467 -1.007 19657 3923 1 13 . 1 1 50 50 ASN N N 50 117.167 117.167 115.510 1.657 19657 3924 1 13 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.476 -0.286 19657 3925 1 13 . 1 1 50 50 ASN C C 50 170.581 170.581 173.762 -3.181 19657 3926 1 13 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.443 -2.780 19657 3927 1 13 . 1 1 50 50 ASN CB C 50 34.202 34.202 36.241 -2.039 19657 3928 1 13 . 1 1 50 50 ASN H H 50 7.886 7.886 7.975 -0.089 19657 3929 1 13 . 1 1 51 51 ALA N N 51 121.083 121.083 120.582 0.501 19657 3930 1 13 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.552 -0.120 19657 3931 1 13 . 1 1 51 51 ALA C C 51 174.002 174.002 175.648 -1.646 19657 3932 1 13 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.620 -2.017 19657 3933 1 13 . 1 1 51 51 ALA CB C 51 17.688 17.688 21.408 -3.720 19657 3934 1 13 . 1 1 51 51 ALA H H 51 7.843 7.843 7.434 0.409 19657 3935 1 13 . 1 1 52 52 VAL N N 52 125.592 125.592 121.037 4.555 19657 3936 1 13 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.126 -0.227 19657 3937 1 13 . 1 1 52 52 VAL C C 52 171.449 171.449 175.273 -3.824 19657 3938 1 13 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.454 -2.560 19657 3939 1 13 . 1 1 52 52 VAL CB C 52 32.369 32.369 35.612 -3.243 19657 3940 1 13 . 1 1 52 52 VAL H H 52 8.241 8.241 8.311 -0.070 19657 3941 1 13 . 1 1 53 53 ASP N N 53 125.731 125.731 126.874 -1.143 19657 3942 1 13 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.921 0.002 19657 3943 1 13 . 1 1 53 53 ASP C C 53 172.314 172.314 174.562 -2.248 19657 3944 1 13 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.499 -3.168 19657 3945 1 13 . 1 1 53 53 ASP CB C 53 40.762 40.762 45.016 -4.253 19657 3946 1 13 . 1 1 53 53 ASP H H 53 8.613 8.613 8.840 -0.227 19657 3947 1 13 . 1 1 54 54 CYS N N 54 122.864 122.864 121.754 1.110 19657 3948 1 13 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.792 -0.158 19657 3949 1 13 . 1 1 54 54 CYS C C 54 167.690 167.690 174.754 -7.064 19657 3950 1 13 . 1 1 54 54 CYS CA C 54 51.047 51.047 57.491 -6.444 19657 3951 1 13 . 1 1 54 54 CYS CB C 54 41.549 41.549 30.121 11.428 19657 3952 1 13 . 1 1 54 54 CYS H H 54 8.627 8.627 8.834 -0.207 19657 3953 1 14 . 1 1 2 2 LYS N N 2 119.803 119.803 119.106 0.697 19657 3954 1 14 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.720 0.529 19657 3955 1 14 . 1 1 2 2 LYS C C 2 172.912 172.912 175.379 -2.467 19657 3956 1 14 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.134 -2.945 19657 3957 1 14 . 1 1 2 2 LYS CB C 2 31.708 31.708 33.218 -1.510 19657 3958 1 14 . 1 1 2 2 LYS H H 2 8.180 8.180 7.565 0.615 19657 3959 1 14 . 1 1 3 3 TYR N N 3 122.744 122.744 121.768 0.976 19657 3960 1 14 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.788 0.008 19657 3961 1 14 . 1 1 3 3 TYR C C 3 172.523 172.523 175.185 -2.662 19657 3962 1 14 . 1 1 3 3 TYR CA C 3 53.741 53.741 56.436 -2.695 19657 3963 1 14 . 1 1 3 3 TYR CB C 3 39.690 39.690 41.402 -1.712 19657 3964 1 14 . 1 1 3 3 TYR H H 3 8.951 8.951 8.002 0.949 19657 3965 1 14 . 1 1 4 4 THR N N 4 117.010 117.010 118.863 -1.853 19657 3966 1 14 . 1 1 4 4 THR HA H 4 5.012 5.012 4.680 0.332 19657 3967 1 14 . 1 1 4 4 THR C C 4 171.489 171.489 173.961 -2.472 19657 3968 1 14 . 1 1 4 4 THR CA C 4 58.808 58.808 61.678 -2.870 19657 3969 1 14 . 1 1 4 4 THR CB C 4 67.837 67.837 69.994 -2.157 19657 3970 1 14 . 1 1 4 4 THR H H 4 8.870 8.870 8.644 0.226 19657 3971 1 14 . 1 1 5 5 GLY N N 5 115.340 115.340 112.574 2.766 19657 3972 1 14 . 1 1 5 5 GLY C C 5 171.505 171.505 172.041 -0.536 19657 3973 1 14 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.606 -2.540 19657 3974 1 14 . 1 1 5 5 GLY H H 5 9.116 9.116 8.009 1.107 19657 3975 1 14 . 1 1 6 6 LYS N N 6 121.120 121.120 120.252 0.868 19657 3976 1 14 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.345 0.044 19657 3977 1 14 . 1 1 6 6 LYS C C 6 174.162 174.162 175.782 -1.620 19657 3978 1 14 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.810 -3.166 19657 3979 1 14 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.660 -1.663 19657 3980 1 14 . 1 1 6 6 LYS H H 6 8.408 8.408 8.277 0.131 19657 3981 1 14 . 1 1 7 7 CYS N N 7 122.530 122.530 119.413 3.117 19657 3982 1 14 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.667 0.665 19657 3983 1 14 . 1 1 7 7 CYS C C 7 169.635 169.635 173.499 -3.864 19657 3984 1 14 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.744 -5.334 19657 3985 1 14 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.202 11.443 19657 3986 1 14 . 1 1 7 7 CYS H H 7 9.795 9.795 8.545 1.250 19657 3987 1 14 . 1 1 8 8 THR N N 8 112.909 112.909 114.400 -1.491 19657 3988 1 14 . 1 1 8 8 THR HA H 8 4.690 4.690 4.835 -0.145 19657 3989 1 14 . 1 1 8 8 THR C C 8 172.048 172.048 175.166 -3.118 19657 3990 1 14 . 1 1 8 8 THR CA C 8 57.291 57.291 60.231 -2.940 19657 3991 1 14 . 1 1 8 8 THR CB C 8 68.608 68.608 71.873 -3.265 19657 3992 1 14 . 1 1 8 8 THR H H 8 8.630 8.630 8.062 0.568 19657 3993 1 14 . 1 1 9 9 LYS N N 9 127.151 127.151 123.435 3.716 19657 3994 1 14 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.259 -0.701 19657 3995 1 14 . 1 1 9 9 LYS C C 9 176.697 176.697 176.845 -0.148 19657 3996 1 14 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.422 -1.226 19657 3997 1 14 . 1 1 9 9 LYS CB C 9 31.079 31.079 31.875 -0.795 19657 3998 1 14 . 1 1 9 9 LYS H H 9 8.916 8.916 8.503 0.413 19657 3999 1 14 . 1 1 10 10 SER N N 10 116.323 116.323 114.506 1.817 19657 4000 1 14 . 1 1 10 10 SER C C 10 176.174 176.174 175.209 0.965 19657 4001 1 14 . 1 1 10 10 SER CA C 10 59.045 59.045 60.655 -1.610 19657 4002 1 14 . 1 1 10 10 SER H H 10 9.391 9.391 8.035 1.356 19657 4003 1 14 . 1 1 11 11 LYS N N 11 116.908 116.908 117.026 -0.118 19657 4004 1 14 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.396 -0.245 19657 4005 1 14 . 1 1 11 11 LYS C C 11 173.027 173.027 176.686 -3.659 19657 4006 1 14 . 1 1 11 11 LYS CA C 11 53.362 53.362 55.845 -2.483 19657 4007 1 14 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.502 -1.952 19657 4008 1 14 . 1 1 11 11 LYS H H 11 7.079 7.079 8.121 -1.042 19657 4009 1 14 . 1 1 12 12 ASN N N 12 120.313 120.313 117.930 2.383 19657 4010 1 14 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.471 0.114 19657 4011 1 14 . 1 1 12 12 ASN C C 12 171.411 171.411 173.394 -1.983 19657 4012 1 14 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.371 -3.497 19657 4013 1 14 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.597 -3.114 19657 4014 1 14 . 1 1 12 12 ASN H H 12 7.589 7.589 8.169 -0.580 19657 4015 1 14 . 1 1 13 13 GLU N N 13 114.653 114.653 116.623 -1.970 19657 4016 1 14 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.784 0.090 19657 4017 1 14 . 1 1 13 13 GLU C C 13 170.929 170.929 174.378 -3.449 19657 4018 1 14 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.564 -2.535 19657 4019 1 14 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.681 0.092 19657 4020 1 14 . 1 1 13 13 GLU H H 13 7.237 7.237 7.684 -0.447 19657 4021 1 14 . 1 1 14 14 CYS N N 14 123.273 123.273 123.479 -0.206 19657 4022 1 14 . 1 1 14 14 CYS HA H 14 4.632 4.632 5.051 -0.419 19657 4023 1 14 . 1 1 14 14 CYS C C 14 168.900 168.900 173.313 -4.413 19657 4024 1 14 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.019 -5.905 19657 4025 1 14 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.705 8.837 19657 4026 1 14 . 1 1 14 14 CYS H H 14 9.637 9.637 9.170 0.467 19657 4027 1 14 . 1 1 15 15 LYS N N 15 111.712 111.712 124.695 -12.983 19657 4028 1 14 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.313 -0.385 19657 4029 1 14 . 1 1 15 15 LYS C C 15 172.655 172.655 174.467 -1.812 19657 4030 1 14 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.394 -3.959 19657 4031 1 14 . 1 1 15 15 LYS CB C 15 31.472 31.472 35.575 -4.103 19657 4032 1 14 . 1 1 15 15 LYS H H 15 8.620 8.620 8.727 -0.107 19657 4033 1 14 . 1 1 16 16 TYR N N 16 126.641 126.641 122.711 3.930 19657 4034 1 14 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.028 -0.123 19657 4035 1 14 . 1 1 16 16 TYR C C 16 168.924 168.924 173.084 -4.160 19657 4036 1 14 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.305 -3.212 19657 4037 1 14 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.795 -3.316 19657 4038 1 14 . 1 1 16 16 TYR H H 16 8.993 8.993 9.164 -0.171 19657 4039 1 14 . 1 1 17 17 LYS N N 17 120.730 120.730 121.595 -0.865 19657 4040 1 14 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.949 -0.535 19657 4041 1 14 . 1 1 17 17 LYS C C 17 173.386 173.386 176.154 -2.768 19657 4042 1 14 . 1 1 17 17 LYS CA C 17 51.694 51.694 54.734 -3.040 19657 4043 1 14 . 1 1 17 17 LYS CB C 17 30.894 30.894 34.708 -3.814 19657 4044 1 14 . 1 1 17 17 LYS H H 17 8.414 8.414 8.592 -0.178 19657 4045 1 14 . 1 1 18 18 ASN N N 18 122.104 122.104 122.749 -0.645 19657 4046 1 14 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.032 0.064 19657 4047 1 14 . 1 1 18 18 ASN C C 18 173.990 173.990 176.140 -2.150 19657 4048 1 14 . 1 1 18 18 ASN CA C 18 48.158 48.158 51.312 -3.154 19657 4049 1 14 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.013 -3.870 19657 4050 1 14 . 1 1 18 18 ASN H H 18 7.729 7.729 7.792 -0.063 19657 4051 1 14 . 1 1 19 19 ASP N N 19 117.316 117.316 120.149 -2.833 19657 4052 1 14 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.379 -0.006 19657 4053 1 14 . 1 1 19 19 ASP C C 19 173.929 173.929 176.796 -2.867 19657 4054 1 14 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.772 -2.507 19657 4055 1 14 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.370 -3.010 19657 4056 1 14 . 1 1 19 19 ASP H H 19 8.231 8.231 8.811 -0.580 19657 4057 1 14 . 1 1 20 20 ALA N N 20 120.814 120.814 120.484 0.330 19657 4058 1 14 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.253 0.142 19657 4059 1 14 . 1 1 20 20 ALA C C 20 174.854 174.854 178.030 -3.176 19657 4060 1 14 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.478 -3.713 19657 4061 1 14 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.059 -3.046 19657 4062 1 14 . 1 1 20 20 ALA H H 20 7.413 7.413 7.973 -0.560 19657 4063 1 14 . 1 1 21 21 GLY N N 21 126.585 126.585 106.169 20.416 19657 4064 1 14 . 1 1 21 21 GLY C C 21 171.015 171.015 174.381 -3.366 19657 4065 1 14 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.011 -2.184 19657 4066 1 14 . 1 1 21 21 GLY H H 21 8.162 8.162 8.235 -0.073 19657 4067 1 14 . 1 1 22 22 LYS N N 22 120.322 120.322 121.546 -1.224 19657 4068 1 14 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.192 0.125 19657 4069 1 14 . 1 1 22 22 LYS C C 22 174.076 174.076 174.808 -0.732 19657 4070 1 14 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.792 -4.356 19657 4071 1 14 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.497 -2.921 19657 4072 1 14 . 1 1 22 22 LYS H H 22 7.676 7.676 7.566 0.110 19657 4073 1 14 . 1 1 23 23 ASP N N 23 126.455 126.455 120.606 5.849 19657 4074 1 14 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.645 -0.383 19657 4075 1 14 . 1 1 23 23 ASP C C 23 172.391 172.391 175.799 -3.408 19657 4076 1 14 . 1 1 23 23 ASP CA C 23 52.973 52.973 53.424 -0.451 19657 4077 1 14 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.380 -3.257 19657 4078 1 14 . 1 1 23 23 ASP H H 23 8.619 8.619 8.369 0.250 19657 4079 1 14 . 1 1 24 24 THR N N 24 122.762 122.762 119.698 3.064 19657 4080 1 14 . 1 1 24 24 THR HA H 24 4.009 4.009 4.396 -0.387 19657 4081 1 14 . 1 1 24 24 THR C C 24 167.562 167.562 173.034 -5.472 19657 4082 1 14 . 1 1 24 24 THR CA C 24 59.223 59.223 60.817 -1.594 19657 4083 1 14 . 1 1 24 24 THR CB C 24 67.985 67.985 70.081 -2.096 19657 4084 1 14 . 1 1 24 24 THR H H 24 8.773 8.773 8.749 0.024 19657 4085 1 14 . 1 1 25 25 PHE N N 25 122.224 122.224 124.537 -2.313 19657 4086 1 14 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.475 -0.093 19657 4087 1 14 . 1 1 25 25 PHE C C 25 172.781 172.781 174.268 -1.487 19657 4088 1 14 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.478 -1.881 19657 4089 1 14 . 1 1 25 25 PHE CB C 25 39.245 39.245 40.883 -1.638 19657 4090 1 14 . 1 1 25 25 PHE H H 25 8.314 8.314 7.631 0.683 19657 4091 1 14 . 1 1 26 26 ILE N N 26 123.050 123.050 124.004 -0.954 19657 4092 1 14 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.557 0.059 19657 4093 1 14 . 1 1 26 26 ILE C C 26 170.373 170.373 174.362 -3.989 19657 4094 1 14 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.068 -2.224 19657 4095 1 14 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.925 -3.450 19657 4096 1 14 . 1 1 26 26 ILE H H 26 9.093 9.093 8.999 0.094 19657 4097 1 14 . 1 1 27 27 LYS N N 27 126.928 126.928 124.591 2.337 19657 4098 1 14 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.295 -0.104 19657 4099 1 14 . 1 1 27 27 LYS C C 27 174.551 174.551 175.566 -1.015 19657 4100 1 14 . 1 1 27 27 LYS CA C 27 55.166 55.166 56.311 -1.145 19657 4101 1 14 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.281 -2.701 19657 4102 1 14 . 1 1 27 27 LYS H H 27 8.309 8.309 8.296 0.013 19657 4103 1 14 . 1 1 28 28 CYS N N 28 119.357 119.357 122.370 -3.013 19657 4104 1 14 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.886 -0.314 19657 4105 1 14 . 1 1 28 28 CYS C C 28 169.287 169.287 173.015 -3.728 19657 4106 1 14 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.202 -4.661 19657 4107 1 14 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.062 10.525 19657 4108 1 14 . 1 1 28 28 CYS H H 28 8.414 8.414 8.444 -0.030 19657 4109 1 14 . 1 1 30 30 LYS N N 30 116.481 116.481 120.845 -4.364 19657 4110 1 14 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.382 -0.426 19657 4111 1 14 . 1 1 30 30 LYS C C 30 173.819 173.819 176.197 -2.378 19657 4112 1 14 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.610 -3.113 19657 4113 1 14 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.664 -2.574 19657 4114 1 14 . 1 1 30 30 LYS H H 30 8.004 8.004 8.503 -0.499 19657 4115 1 14 . 1 1 31 31 PHE N N 31 116.963 116.963 119.348 -2.385 19657 4116 1 14 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.518 -0.041 19657 4117 1 14 . 1 1 31 31 PHE C C 31 173.518 173.518 177.335 -3.817 19657 4118 1 14 . 1 1 31 31 PHE CA C 31 54.044 54.044 57.709 -3.665 19657 4119 1 14 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.212 -2.569 19657 4120 1 14 . 1 1 31 31 PHE H H 31 6.424 6.424 7.921 -1.497 19657 4121 1 14 . 1 1 32 32 ASP N N 32 121.612 121.612 123.288 -1.676 19657 4122 1 14 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.366 -0.230 19657 4123 1 14 . 1 1 32 32 ASP C C 32 173.688 173.688 177.309 -3.621 19657 4124 1 14 . 1 1 32 32 ASP CA C 32 54.793 54.793 57.109 -2.316 19657 4125 1 14 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.937 -3.045 19657 4126 1 14 . 1 1 32 32 ASP H H 32 8.800 8.800 8.718 0.082 19657 4127 1 14 . 1 1 33 33 ASN N N 33 113.168 113.168 116.543 -3.375 19657 4128 1 14 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.676 -0.113 19657 4129 1 14 . 1 1 33 33 ASN C C 33 172.656 172.656 175.019 -2.363 19657 4130 1 14 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.388 -3.026 19657 4131 1 14 . 1 1 33 33 ASN CB C 33 34.754 34.754 39.219 -4.465 19657 4132 1 14 . 1 1 33 33 ASN H H 33 8.455 8.455 8.421 0.034 19657 4133 1 14 . 1 1 34 34 LYS N N 34 117.622 117.622 117.691 -0.069 19657 4134 1 14 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.529 0.335 19657 4135 1 14 . 1 1 34 34 LYS C C 34 171.666 171.666 173.895 -2.229 19657 4136 1 14 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.288 -4.141 19657 4137 1 14 . 1 1 34 34 LYS CB C 34 32.813 32.813 34.964 -2.151 19657 4138 1 14 . 1 1 34 34 LYS H H 34 7.676 7.676 7.810 -0.134 19657 4139 1 14 . 1 1 35 35 LYS N N 35 116.880 116.880 118.233 -1.353 19657 4140 1 14 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.776 -0.277 19657 4141 1 14 . 1 1 35 35 LYS C C 35 172.133 172.133 174.577 -2.444 19657 4142 1 14 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.881 -2.726 19657 4143 1 14 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.482 -4.707 19657 4144 1 14 . 1 1 35 35 LYS H H 35 6.927 6.927 7.879 -0.952 19657 4145 1 14 . 1 1 36 36 CYS N N 36 117.678 117.678 120.479 -2.801 19657 4146 1 14 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.800 -0.113 19657 4147 1 14 . 1 1 36 36 CYS C C 36 174.909 174.909 176.443 -1.534 19657 4148 1 14 . 1 1 36 36 CYS CA C 36 53.356 53.356 59.093 -5.737 19657 4149 1 14 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.692 12.011 19657 4150 1 14 . 1 1 36 36 CYS H H 36 8.572 8.572 8.672 -0.100 19657 4151 1 14 . 1 1 37 37 THR N N 37 121.872 121.872 117.698 4.174 19657 4152 1 14 . 1 1 37 37 THR HA H 37 4.219 4.219 4.327 -0.108 19657 4153 1 14 . 1 1 37 37 THR C C 37 172.565 172.565 174.112 -1.547 19657 4154 1 14 . 1 1 37 37 THR CA C 37 60.478 60.478 62.612 -2.134 19657 4155 1 14 . 1 1 37 37 THR CB C 37 68.235 68.235 69.738 -1.503 19657 4156 1 14 . 1 1 37 37 THR H H 37 10.105 10.105 8.606 1.499 19657 4157 1 14 . 1 1 38 38 LYS N N 38 122.020 122.020 120.968 1.052 19657 4158 1 14 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.539 -0.384 19657 4159 1 14 . 1 1 38 38 LYS C C 38 170.713 170.713 174.831 -4.118 19657 4160 1 14 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.888 -1.023 19657 4161 1 14 . 1 1 38 38 LYS CB C 38 32.499 32.499 35.596 -3.097 19657 4162 1 14 . 1 1 38 38 LYS H H 38 7.258 7.258 7.624 -0.366 19657 4163 1 14 . 1 1 39 39 ASP N N 39 124.776 124.776 121.667 3.109 19657 4164 1 14 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.685 -0.108 19657 4165 1 14 . 1 1 39 39 ASP C C 39 175.068 175.068 176.127 -1.059 19657 4166 1 14 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.431 -0.398 19657 4167 1 14 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.432 -3.978 19657 4168 1 14 . 1 1 39 39 ASP H H 39 8.783 8.783 8.573 0.210 19657 4169 1 14 . 1 1 40 40 ASN N N 40 114.764 114.764 116.473 -1.709 19657 4170 1 14 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.315 -0.053 19657 4171 1 14 . 1 1 40 40 ASN C C 40 171.530 171.530 174.258 -2.728 19657 4172 1 14 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.542 -1.567 19657 4173 1 14 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.266 -4.086 19657 4174 1 14 . 1 1 40 40 ASN H H 40 9.467 9.467 8.650 0.817 19657 4175 1 14 . 1 1 41 41 ASN N N 41 120.183 120.183 115.786 4.397 19657 4176 1 14 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.531 0.144 19657 4177 1 14 . 1 1 41 41 ASN C C 41 171.964 171.964 175.166 -3.202 19657 4178 1 14 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.563 -5.195 19657 4179 1 14 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.233 -2.835 19657 4180 1 14 . 1 1 41 41 ASN H H 41 7.729 7.729 8.032 -0.303 19657 4181 1 14 . 1 1 42 42 LYS N N 42 119.700 119.700 119.513 0.187 19657 4182 1 14 . 1 1 42 42 LYS HA H 42 4.355 4.355 4.942 -0.587 19657 4183 1 14 . 1 1 42 42 LYS CA C 42 54.550 54.550 54.354 0.196 19657 4184 1 14 . 1 1 42 42 LYS CB C 42 30.627 30.627 34.510 -3.883 19657 4185 1 14 . 1 1 42 42 LYS H H 42 8.496 8.496 8.839 -0.343 19657 4186 1 14 . 1 1 43 43 CYS N N 43 113.920 113.920 121.067 -7.147 19657 4187 1 14 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.460 -0.116 19657 4188 1 14 . 1 1 43 43 CYS C C 43 169.725 169.725 173.451 -3.726 19657 4189 1 14 . 1 1 43 43 CYS CA C 43 50.891 50.891 55.921 -5.030 19657 4190 1 14 . 1 1 43 43 CYS H H 43 7.542 7.542 9.291 -1.749 19657 4191 1 14 . 1 1 44 44 THR N N 44 113.141 113.141 114.897 -1.756 19657 4192 1 14 . 1 1 44 44 THR HA H 44 5.229 5.229 5.180 0.049 19657 4193 1 14 . 1 1 44 44 THR C C 44 169.993 169.993 173.190 -3.197 19657 4194 1 14 . 1 1 44 44 THR CA C 44 57.308 57.308 61.209 -3.901 19657 4195 1 14 . 1 1 44 44 THR CB C 44 69.607 69.607 71.605 -1.998 19657 4196 1 14 . 1 1 44 44 THR H H 44 8.987 8.987 8.775 0.212 19657 4197 1 14 . 1 1 45 45 VAL N N 45 121.909 121.909 123.874 -1.965 19657 4198 1 14 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.517 -0.030 19657 4199 1 14 . 1 1 45 45 VAL C C 45 171.182 171.182 173.657 -2.475 19657 4200 1 14 . 1 1 45 45 VAL CA C 45 58.069 58.069 62.052 -3.983 19657 4201 1 14 . 1 1 45 45 VAL CB C 45 33.384 33.384 35.454 -2.070 19657 4202 1 14 . 1 1 45 45 VAL H H 45 8.571 8.571 8.021 0.550 19657 4203 1 14 . 1 1 46 46 ASP N N 46 126.446 126.446 126.287 0.159 19657 4204 1 14 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.300 0.027 19657 4205 1 14 . 1 1 46 46 ASP C C 46 175.630 175.630 176.746 -1.116 19657 4206 1 14 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.700 -3.445 19657 4207 1 14 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.786 -4.735 19657 4208 1 14 . 1 1 46 46 ASP H H 46 8.566 8.566 8.226 0.340 19657 4209 1 14 . 1 1 47 47 THR N N 47 114.273 114.273 119.790 -5.517 19657 4210 1 14 . 1 1 47 47 THR HA H 47 4.185 4.185 4.292 -0.107 19657 4211 1 14 . 1 1 47 47 THR C C 47 173.322 173.322 174.861 -1.539 19657 4212 1 14 . 1 1 47 47 THR CA C 47 60.559 60.559 64.678 -4.119 19657 4213 1 14 . 1 1 47 47 THR CB C 47 66.582 66.582 69.223 -2.641 19657 4214 1 14 . 1 1 47 47 THR H H 47 9.087 9.087 8.289 0.798 19657 4215 1 14 . 1 1 48 48 TYR N N 48 123.848 123.848 122.273 1.575 19657 4216 1 14 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.389 0.004 19657 4217 1 14 . 1 1 48 48 TYR C C 48 173.776 173.776 176.305 -2.529 19657 4218 1 14 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.402 -2.783 19657 4219 1 14 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.977 -3.160 19657 4220 1 14 . 1 1 48 48 TYR H H 48 8.818 8.818 8.117 0.701 19657 4221 1 14 . 1 1 49 49 ASN N N 49 113.642 113.642 114.398 -0.756 19657 4222 1 14 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.596 -0.131 19657 4223 1 14 . 1 1 49 49 ASN C C 49 172.356 172.356 174.432 -2.076 19657 4224 1 14 . 1 1 49 49 ASN CA C 49 49.231 49.231 52.744 -3.513 19657 4225 1 14 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.888 -4.404 19657 4226 1 14 . 1 1 49 49 ASN H H 49 7.460 7.460 8.143 -0.683 19657 4227 1 14 . 1 1 50 50 ASN N N 50 117.167 117.167 116.754 0.413 19657 4228 1 14 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.445 -0.255 19657 4229 1 14 . 1 1 50 50 ASN C C 50 170.581 170.581 173.490 -2.909 19657 4230 1 14 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.325 -2.662 19657 4231 1 14 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.103 -2.901 19657 4232 1 14 . 1 1 50 50 ASN H H 50 7.886 7.886 7.842 0.044 19657 4233 1 14 . 1 1 51 51 ALA N N 51 121.083 121.083 120.831 0.252 19657 4234 1 14 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.454 -0.022 19657 4235 1 14 . 1 1 51 51 ALA C C 51 174.002 174.002 175.754 -1.752 19657 4236 1 14 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.427 -1.824 19657 4237 1 14 . 1 1 51 51 ALA CB C 51 17.688 17.688 20.340 -2.652 19657 4238 1 14 . 1 1 51 51 ALA H H 51 7.843 7.843 7.516 0.327 19657 4239 1 14 . 1 1 52 52 VAL N N 52 125.592 125.592 123.770 1.822 19657 4240 1 14 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.085 -0.186 19657 4241 1 14 . 1 1 52 52 VAL C C 52 171.449 171.449 174.411 -2.962 19657 4242 1 14 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.298 -2.404 19657 4243 1 14 . 1 1 52 52 VAL CB C 52 32.369 32.369 34.553 -2.184 19657 4244 1 14 . 1 1 52 52 VAL H H 52 8.241 8.241 8.439 -0.198 19657 4245 1 14 . 1 1 53 53 ASP N N 53 125.731 125.731 128.363 -2.632 19657 4246 1 14 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.892 0.031 19657 4247 1 14 . 1 1 53 53 ASP C C 53 172.314 172.314 174.077 -1.763 19657 4248 1 14 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.417 -3.086 19657 4249 1 14 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.041 -3.279 19657 4250 1 14 . 1 1 53 53 ASP H H 53 8.613 8.613 8.669 -0.056 19657 4251 1 14 . 1 1 54 54 CYS N N 54 122.864 122.864 123.738 -0.874 19657 4252 1 14 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.673 -0.039 19657 4253 1 14 . 1 1 54 54 CYS C C 54 167.690 167.690 174.766 -7.076 19657 4254 1 14 . 1 1 54 54 CYS CA C 54 51.047 51.047 58.469 -7.422 19657 4255 1 14 . 1 1 54 54 CYS CB C 54 41.549 41.549 29.815 11.734 19657 4256 1 14 . 1 1 54 54 CYS H H 54 8.627 8.627 8.716 -0.089 19657 4257 1 15 . 1 1 2 2 LYS N N 2 119.803 119.803 119.071 0.732 19657 4258 1 15 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.736 0.513 19657 4259 1 15 . 1 1 2 2 LYS C C 2 172.912 172.912 174.803 -1.891 19657 4260 1 15 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.299 -3.110 19657 4261 1 15 . 1 1 2 2 LYS CB C 2 31.708 31.708 34.270 -2.562 19657 4262 1 15 . 1 1 2 2 LYS H H 2 8.180 8.180 7.412 0.768 19657 4263 1 15 . 1 1 3 3 TYR N N 3 122.744 122.744 124.090 -1.346 19657 4264 1 15 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.777 0.019 19657 4265 1 15 . 1 1 3 3 TYR C C 3 172.523 172.523 175.274 -2.751 19657 4266 1 15 . 1 1 3 3 TYR CA C 3 53.741 53.741 56.883 -3.142 19657 4267 1 15 . 1 1 3 3 TYR CB C 3 39.690 39.690 41.215 -1.524 19657 4268 1 15 . 1 1 3 3 TYR H H 3 8.951 8.951 8.305 0.646 19657 4269 1 15 . 1 1 4 4 THR N N 4 117.010 117.010 119.547 -2.537 19657 4270 1 15 . 1 1 4 4 THR HA H 4 5.012 5.012 4.696 0.316 19657 4271 1 15 . 1 1 4 4 THR C C 4 171.489 171.489 173.836 -2.347 19657 4272 1 15 . 1 1 4 4 THR CA C 4 58.808 58.808 61.604 -2.796 19657 4273 1 15 . 1 1 4 4 THR CB C 4 67.837 67.837 69.815 -1.978 19657 4274 1 15 . 1 1 4 4 THR H H 4 8.870 8.870 8.637 0.233 19657 4275 1 15 . 1 1 5 5 GLY N N 5 115.340 115.340 111.912 3.428 19657 4276 1 15 . 1 1 5 5 GLY C C 5 171.505 171.505 171.960 -0.455 19657 4277 1 15 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.504 -2.438 19657 4278 1 15 . 1 1 5 5 GLY H H 5 9.116 9.116 7.956 1.160 19657 4279 1 15 . 1 1 6 6 LYS N N 6 121.120 121.120 119.881 1.239 19657 4280 1 15 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.486 -0.097 19657 4281 1 15 . 1 1 6 6 LYS C C 6 174.162 174.162 176.016 -1.854 19657 4282 1 15 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.940 -3.296 19657 4283 1 15 . 1 1 6 6 LYS CB C 6 34.997 34.997 35.708 -0.711 19657 4284 1 15 . 1 1 6 6 LYS H H 6 8.408 8.408 8.051 0.357 19657 4285 1 15 . 1 1 7 7 CYS N N 7 122.530 122.530 120.794 1.736 19657 4286 1 15 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.604 0.728 19657 4287 1 15 . 1 1 7 7 CYS C C 7 169.635 169.635 173.550 -3.915 19657 4288 1 15 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.784 -5.374 19657 4289 1 15 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.332 11.313 19657 4290 1 15 . 1 1 7 7 CYS H H 7 9.795 9.795 8.894 0.901 19657 4291 1 15 . 1 1 8 8 THR N N 8 112.909 112.909 113.390 -0.481 19657 4292 1 15 . 1 1 8 8 THR HA H 8 4.690 4.690 4.802 -0.112 19657 4293 1 15 . 1 1 8 8 THR C C 8 172.048 172.048 175.365 -3.317 19657 4294 1 15 . 1 1 8 8 THR CA C 8 57.291 57.291 60.454 -3.163 19657 4295 1 15 . 1 1 8 8 THR CB C 8 68.608 68.608 71.492 -2.884 19657 4296 1 15 . 1 1 8 8 THR H H 8 8.630 8.630 7.962 0.668 19657 4297 1 15 . 1 1 9 9 LYS N N 9 127.151 127.151 122.427 4.724 19657 4298 1 15 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.115 -0.557 19657 4299 1 15 . 1 1 9 9 LYS C C 9 176.697 176.697 176.720 -0.023 19657 4300 1 15 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.740 -1.544 19657 4301 1 15 . 1 1 9 9 LYS CB C 9 31.079 31.079 31.939 -0.860 19657 4302 1 15 . 1 1 9 9 LYS H H 9 8.916 8.916 8.715 0.201 19657 4303 1 15 . 1 1 10 10 SER N N 10 116.323 116.323 115.094 1.229 19657 4304 1 15 . 1 1 10 10 SER C C 10 176.174 176.174 175.424 0.750 19657 4305 1 15 . 1 1 10 10 SER CA C 10 59.045 59.045 60.503 -1.458 19657 4306 1 15 . 1 1 10 10 SER H H 10 9.391 9.391 8.108 1.283 19657 4307 1 15 . 1 1 11 11 LYS N N 11 116.908 116.908 120.089 -3.181 19657 4308 1 15 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.308 -0.157 19657 4309 1 15 . 1 1 11 11 LYS C C 11 173.027 173.027 176.285 -3.258 19657 4310 1 15 . 1 1 11 11 LYS CA C 11 53.362 53.362 56.005 -2.643 19657 4311 1 15 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.577 -2.027 19657 4312 1 15 . 1 1 11 11 LYS H H 11 7.079 7.079 8.241 -1.162 19657 4313 1 15 . 1 1 12 12 ASN N N 12 120.313 120.313 118.401 1.912 19657 4314 1 15 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.530 0.055 19657 4315 1 15 . 1 1 12 12 ASN C C 12 171.411 171.411 173.183 -1.772 19657 4316 1 15 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.153 -3.279 19657 4317 1 15 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.157 -2.674 19657 4318 1 15 . 1 1 12 12 ASN H H 12 7.589 7.589 8.037 -0.448 19657 4319 1 15 . 1 1 13 13 GLU N N 13 114.653 114.653 117.528 -2.875 19657 4320 1 15 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.815 0.059 19657 4321 1 15 . 1 1 13 13 GLU C C 13 170.929 170.929 174.686 -3.757 19657 4322 1 15 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.867 -2.838 19657 4323 1 15 . 1 1 13 13 GLU CB C 13 33.773 33.773 32.973 0.800 19657 4324 1 15 . 1 1 13 13 GLU H H 13 7.237 7.237 7.873 -0.636 19657 4325 1 15 . 1 1 14 14 CYS N N 14 123.273 123.273 124.884 -1.611 19657 4326 1 15 . 1 1 14 14 CYS HA H 14 4.632 4.632 4.981 -0.349 19657 4327 1 15 . 1 1 14 14 CYS C C 14 168.900 168.900 173.360 -4.460 19657 4328 1 15 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.199 -6.085 19657 4329 1 15 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.485 9.057 19657 4330 1 15 . 1 1 14 14 CYS H H 14 9.637 9.637 9.006 0.631 19657 4331 1 15 . 1 1 15 15 LYS N N 15 111.712 111.712 123.470 -11.758 19657 4332 1 15 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.478 -0.550 19657 4333 1 15 . 1 1 15 15 LYS C C 15 172.655 172.655 174.751 -2.096 19657 4334 1 15 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.060 -3.625 19657 4335 1 15 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.235 -2.763 19657 4336 1 15 . 1 1 15 15 LYS H H 15 8.620 8.620 8.369 0.251 19657 4337 1 15 . 1 1 16 16 TYR N N 16 126.641 126.641 119.926 6.715 19657 4338 1 15 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.024 -0.119 19657 4339 1 15 . 1 1 16 16 TYR C C 16 168.924 168.924 173.650 -4.726 19657 4340 1 15 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.631 -3.538 19657 4341 1 15 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.915 -3.436 19657 4342 1 15 . 1 1 16 16 TYR H H 16 8.993 8.993 9.103 -0.110 19657 4343 1 15 . 1 1 17 17 LYS N N 17 120.730 120.730 121.867 -1.137 19657 4344 1 15 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.691 -0.277 19657 4345 1 15 . 1 1 17 17 LYS C C 17 173.386 173.386 176.323 -2.937 19657 4346 1 15 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.175 -3.481 19657 4347 1 15 . 1 1 17 17 LYS CB C 17 30.894 30.894 33.597 -2.703 19657 4348 1 15 . 1 1 17 17 LYS H H 17 8.414 8.414 8.752 -0.338 19657 4349 1 15 . 1 1 18 18 ASN N N 18 122.104 122.104 123.100 -0.996 19657 4350 1 15 . 1 1 18 18 ASN HA H 18 4.096 4.096 3.858 0.238 19657 4351 1 15 . 1 1 18 18 ASN C C 18 173.990 173.990 176.743 -2.753 19657 4352 1 15 . 1 1 18 18 ASN CA C 18 48.158 48.158 52.242 -4.085 19657 4353 1 15 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.269 -4.126 19657 4354 1 15 . 1 1 18 18 ASN H H 18 7.729 7.729 7.800 -0.071 19657 4355 1 15 . 1 1 19 19 ASP N N 19 117.316 117.316 119.054 -1.738 19657 4356 1 15 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.485 -0.112 19657 4357 1 15 . 1 1 19 19 ASP C C 19 173.929 173.929 176.664 -2.735 19657 4358 1 15 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.812 -2.547 19657 4359 1 15 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.034 -2.675 19657 4360 1 15 . 1 1 19 19 ASP H H 19 8.231 8.231 8.612 -0.381 19657 4361 1 15 . 1 1 20 20 ALA N N 20 120.814 120.814 121.456 -0.642 19657 4362 1 15 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.210 0.185 19657 4363 1 15 . 1 1 20 20 ALA C C 20 174.854 174.854 178.449 -3.595 19657 4364 1 15 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.338 -3.573 19657 4365 1 15 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.241 -3.228 19657 4366 1 15 . 1 1 20 20 ALA H H 20 7.413 7.413 8.543 -1.130 19657 4367 1 15 . 1 1 21 21 GLY N N 21 126.585 126.585 105.479 21.106 19657 4368 1 15 . 1 1 21 21 GLY C C 21 171.015 171.015 173.735 -2.720 19657 4369 1 15 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.185 -2.358 19657 4370 1 15 . 1 1 21 21 GLY H H 21 8.162 8.162 7.984 0.178 19657 4371 1 15 . 1 1 22 22 LYS N N 22 120.322 120.322 121.084 -0.762 19657 4372 1 15 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.258 0.059 19657 4373 1 15 . 1 1 22 22 LYS C C 22 174.076 174.076 175.704 -1.628 19657 4374 1 15 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.837 -4.401 19657 4375 1 15 . 1 1 22 22 LYS CB C 22 30.576 30.576 32.895 -2.319 19657 4376 1 15 . 1 1 22 22 LYS H H 22 7.676 7.676 7.733 -0.057 19657 4377 1 15 . 1 1 23 23 ASP N N 23 126.455 126.455 124.863 1.592 19657 4378 1 15 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.416 -0.154 19657 4379 1 15 . 1 1 23 23 ASP C C 23 172.391 172.391 175.835 -3.444 19657 4380 1 15 . 1 1 23 23 ASP CA C 23 52.973 52.973 55.460 -2.487 19657 4381 1 15 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.020 -2.897 19657 4382 1 15 . 1 1 23 23 ASP H H 23 8.619 8.619 8.537 0.082 19657 4383 1 15 . 1 1 24 24 THR N N 24 122.762 122.762 120.476 2.286 19657 4384 1 15 . 1 1 24 24 THR HA H 24 4.009 4.009 4.514 -0.505 19657 4385 1 15 . 1 1 24 24 THR C C 24 167.562 167.562 172.966 -5.404 19657 4386 1 15 . 1 1 24 24 THR CA C 24 59.223 59.223 61.227 -2.004 19657 4387 1 15 . 1 1 24 24 THR CB C 24 67.985 67.985 70.703 -2.718 19657 4388 1 15 . 1 1 24 24 THR H H 24 8.773 8.773 8.726 0.047 19657 4389 1 15 . 1 1 25 25 PHE N N 25 122.224 122.224 123.425 -1.201 19657 4390 1 15 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.548 -0.166 19657 4391 1 15 . 1 1 25 25 PHE C C 25 172.781 172.781 174.173 -1.392 19657 4392 1 15 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.512 -1.915 19657 4393 1 15 . 1 1 25 25 PHE CB C 25 39.245 39.245 40.813 -1.568 19657 4394 1 15 . 1 1 25 25 PHE H H 25 8.314 8.314 7.815 0.499 19657 4395 1 15 . 1 1 26 26 ILE N N 26 123.050 123.050 123.947 -0.897 19657 4396 1 15 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.511 0.105 19657 4397 1 15 . 1 1 26 26 ILE C C 26 170.373 170.373 174.376 -4.003 19657 4398 1 15 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.092 -2.248 19657 4399 1 15 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.847 -3.372 19657 4400 1 15 . 1 1 26 26 ILE H H 26 9.093 9.093 9.037 0.056 19657 4401 1 15 . 1 1 27 27 LYS N N 27 126.928 126.928 124.714 2.214 19657 4402 1 15 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.294 -0.103 19657 4403 1 15 . 1 1 27 27 LYS C C 27 174.551 174.551 175.567 -1.016 19657 4404 1 15 . 1 1 27 27 LYS CA C 27 55.166 55.166 56.205 -1.039 19657 4405 1 15 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.194 -2.614 19657 4406 1 15 . 1 1 27 27 LYS H H 27 8.309 8.309 8.275 0.034 19657 4407 1 15 . 1 1 28 28 CYS N N 28 119.357 119.357 122.562 -3.205 19657 4408 1 15 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.830 -0.258 19657 4409 1 15 . 1 1 28 28 CYS C C 28 169.287 169.287 172.993 -3.706 19657 4410 1 15 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.073 -4.532 19657 4411 1 15 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.755 9.832 19657 4412 1 15 . 1 1 28 28 CYS H H 28 8.414 8.414 8.670 -0.256 19657 4413 1 15 . 1 1 30 30 LYS N N 30 116.481 116.481 119.758 -3.277 19657 4414 1 15 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.295 -0.339 19657 4415 1 15 . 1 1 30 30 LYS C C 30 173.819 173.819 176.076 -2.257 19657 4416 1 15 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.255 -2.758 19657 4417 1 15 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.354 -2.264 19657 4418 1 15 . 1 1 30 30 LYS H H 30 8.004 8.004 8.187 -0.183 19657 4419 1 15 . 1 1 31 31 PHE N N 31 116.963 116.963 118.901 -1.938 19657 4420 1 15 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.527 -0.050 19657 4421 1 15 . 1 1 31 31 PHE C C 31 173.518 173.518 177.419 -3.901 19657 4422 1 15 . 1 1 31 31 PHE CA C 31 54.044 54.044 57.732 -3.688 19657 4423 1 15 . 1 1 31 31 PHE CB C 31 37.643 37.643 39.735 -2.092 19657 4424 1 15 . 1 1 31 31 PHE H H 31 6.424 6.424 7.570 -1.146 19657 4425 1 15 . 1 1 32 32 ASP N N 32 121.612 121.612 122.416 -0.804 19657 4426 1 15 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.384 -0.248 19657 4427 1 15 . 1 1 32 32 ASP C C 32 173.688 173.688 177.131 -3.443 19657 4428 1 15 . 1 1 32 32 ASP CA C 32 54.793 54.793 57.038 -2.245 19657 4429 1 15 . 1 1 32 32 ASP CB C 32 37.892 37.892 41.033 -3.141 19657 4430 1 15 . 1 1 32 32 ASP H H 32 8.800 8.800 8.926 -0.126 19657 4431 1 15 . 1 1 33 33 ASN N N 33 113.168 113.168 117.037 -3.869 19657 4432 1 15 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.604 -0.041 19657 4433 1 15 . 1 1 33 33 ASN C C 33 172.656 172.656 175.112 -2.456 19657 4434 1 15 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.045 -2.683 19657 4435 1 15 . 1 1 33 33 ASN CB C 33 34.754 34.754 39.132 -4.378 19657 4436 1 15 . 1 1 33 33 ASN H H 33 8.455 8.455 8.217 0.238 19657 4437 1 15 . 1 1 34 34 LYS N N 34 117.622 117.622 118.839 -1.217 19657 4438 1 15 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.523 0.341 19657 4439 1 15 . 1 1 34 34 LYS C C 34 171.666 171.666 173.733 -2.067 19657 4440 1 15 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.371 -4.223 19657 4441 1 15 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.488 -2.675 19657 4442 1 15 . 1 1 34 34 LYS H H 34 7.676 7.676 7.805 -0.129 19657 4443 1 15 . 1 1 35 35 LYS N N 35 116.880 116.880 119.148 -2.268 19657 4444 1 15 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.802 -0.303 19657 4445 1 15 . 1 1 35 35 LYS C C 35 172.133 172.133 174.359 -2.226 19657 4446 1 15 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.835 -2.680 19657 4447 1 15 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.194 -4.419 19657 4448 1 15 . 1 1 35 35 LYS H H 35 6.927 6.927 7.791 -0.864 19657 4449 1 15 . 1 1 36 36 CYS N N 36 117.678 117.678 119.353 -1.675 19657 4450 1 15 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.665 0.022 19657 4451 1 15 . 1 1 36 36 CYS C C 36 174.909 174.909 175.274 -0.365 19657 4452 1 15 . 1 1 36 36 CYS CA C 36 53.356 53.356 59.278 -5.922 19657 4453 1 15 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.059 12.644 19657 4454 1 15 . 1 1 36 36 CYS H H 36 8.572 8.572 8.670 -0.098 19657 4455 1 15 . 1 1 37 37 THR N N 37 121.872 121.872 117.722 4.150 19657 4456 1 15 . 1 1 37 37 THR HA H 37 4.219 4.219 4.282 -0.063 19657 4457 1 15 . 1 1 37 37 THR C C 37 172.565 172.565 173.407 -0.842 19657 4458 1 15 . 1 1 37 37 THR CA C 37 60.478 60.478 62.862 -2.384 19657 4459 1 15 . 1 1 37 37 THR CB C 37 68.235 68.235 69.260 -1.025 19657 4460 1 15 . 1 1 37 37 THR H H 37 10.105 10.105 8.556 1.549 19657 4461 1 15 . 1 1 38 38 LYS N N 38 122.020 122.020 118.386 3.634 19657 4462 1 15 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.500 -0.345 19657 4463 1 15 . 1 1 38 38 LYS C C 38 170.713 170.713 174.390 -3.677 19657 4464 1 15 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.674 -0.809 19657 4465 1 15 . 1 1 38 38 LYS CB C 38 32.499 32.499 36.259 -3.760 19657 4466 1 15 . 1 1 38 38 LYS H H 38 7.258 7.258 7.530 -0.272 19657 4467 1 15 . 1 1 39 39 ASP N N 39 124.776 124.776 119.517 5.259 19657 4468 1 15 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.594 -0.017 19657 4469 1 15 . 1 1 39 39 ASP C C 39 175.068 175.068 175.981 -0.913 19657 4470 1 15 . 1 1 39 39 ASP CA C 39 54.033 54.033 53.992 0.041 19657 4471 1 15 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.442 -3.988 19657 4472 1 15 . 1 1 39 39 ASP H H 39 8.783 8.783 8.375 0.408 19657 4473 1 15 . 1 1 40 40 ASN N N 40 114.764 114.764 118.865 -4.101 19657 4474 1 15 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.206 0.056 19657 4475 1 15 . 1 1 40 40 ASN C C 40 171.530 171.530 174.381 -2.851 19657 4476 1 15 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.725 -1.750 19657 4477 1 15 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.601 -4.421 19657 4478 1 15 . 1 1 40 40 ASN H H 40 9.467 9.467 8.463 1.004 19657 4479 1 15 . 1 1 41 41 ASN N N 41 120.183 120.183 114.864 5.319 19657 4480 1 15 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.517 0.158 19657 4481 1 15 . 1 1 41 41 ASN C C 41 171.964 171.964 174.768 -2.804 19657 4482 1 15 . 1 1 41 41 ASN CA C 41 49.368 49.368 53.764 -4.396 19657 4483 1 15 . 1 1 41 41 ASN CB C 41 36.398 36.398 38.949 -2.550 19657 4484 1 15 . 1 1 41 41 ASN H H 41 7.729 7.729 7.657 0.072 19657 4485 1 15 . 1 1 42 42 LYS N N 42 119.700 119.700 117.711 1.989 19657 4486 1 15 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.081 -0.726 19657 4487 1 15 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.162 -0.612 19657 4488 1 15 . 1 1 42 42 LYS CB C 42 30.627 30.627 35.734 -5.107 19657 4489 1 15 . 1 1 42 42 LYS H H 42 8.496 8.496 8.073 0.423 19657 4490 1 15 . 1 1 43 43 CYS N N 43 113.920 113.920 118.470 -4.550 19657 4491 1 15 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.492 -0.148 19657 4492 1 15 . 1 1 43 43 CYS C C 43 169.725 169.725 173.393 -3.668 19657 4493 1 15 . 1 1 43 43 CYS CA C 43 50.891 50.891 55.708 -4.817 19657 4494 1 15 . 1 1 43 43 CYS H H 43 7.542 7.542 9.315 -1.773 19657 4495 1 15 . 1 1 44 44 THR N N 44 113.141 113.141 114.283 -1.142 19657 4496 1 15 . 1 1 44 44 THR HA H 44 5.229 5.229 5.034 0.195 19657 4497 1 15 . 1 1 44 44 THR C C 44 169.993 169.993 173.461 -3.468 19657 4498 1 15 . 1 1 44 44 THR CA C 44 57.308 57.308 61.192 -3.884 19657 4499 1 15 . 1 1 44 44 THR CB C 44 69.607 69.607 71.806 -2.199 19657 4500 1 15 . 1 1 44 44 THR H H 44 8.987 8.987 8.852 0.135 19657 4501 1 15 . 1 1 45 45 VAL N N 45 121.909 121.909 122.633 -0.724 19657 4502 1 15 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.756 -0.269 19657 4503 1 15 . 1 1 45 45 VAL C C 45 171.182 171.182 173.503 -2.321 19657 4504 1 15 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.233 -3.164 19657 4505 1 15 . 1 1 45 45 VAL CB C 45 33.384 33.384 34.801 -1.417 19657 4506 1 15 . 1 1 45 45 VAL H H 45 8.571 8.571 8.110 0.461 19657 4507 1 15 . 1 1 46 46 ASP N N 46 126.446 126.446 126.086 0.360 19657 4508 1 15 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.506 -0.179 19657 4509 1 15 . 1 1 46 46 ASP C C 46 175.630 175.630 176.906 -1.276 19657 4510 1 15 . 1 1 46 46 ASP CA C 46 49.255 49.255 51.387 -2.132 19657 4511 1 15 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.657 -4.606 19657 4512 1 15 . 1 1 46 46 ASP H H 46 8.566 8.566 8.797 -0.231 19657 4513 1 15 . 1 1 47 47 THR N N 47 114.273 114.273 119.836 -5.563 19657 4514 1 15 . 1 1 47 47 THR HA H 47 4.185 4.185 4.378 -0.193 19657 4515 1 15 . 1 1 47 47 THR C C 47 173.322 173.322 175.730 -2.408 19657 4516 1 15 . 1 1 47 47 THR CA C 47 60.559 60.559 64.187 -3.628 19657 4517 1 15 . 1 1 47 47 THR CB C 47 66.582 66.582 69.169 -2.587 19657 4518 1 15 . 1 1 47 47 THR H H 47 9.087 9.087 8.549 0.538 19657 4519 1 15 . 1 1 48 48 TYR N N 48 123.848 123.848 122.662 1.186 19657 4520 1 15 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.358 0.035 19657 4521 1 15 . 1 1 48 48 TYR C C 48 173.776 173.776 176.890 -3.114 19657 4522 1 15 . 1 1 48 48 TYR CA C 48 57.619 57.619 61.227 -3.608 19657 4523 1 15 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.790 -2.973 19657 4524 1 15 . 1 1 48 48 TYR H H 48 8.818 8.818 8.969 -0.151 19657 4525 1 15 . 1 1 49 49 ASN N N 49 113.642 113.642 114.222 -0.580 19657 4526 1 15 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.789 -0.324 19657 4527 1 15 . 1 1 49 49 ASN C C 49 172.356 172.356 174.523 -2.167 19657 4528 1 15 . 1 1 49 49 ASN CA C 49 49.231 49.231 53.219 -3.988 19657 4529 1 15 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.800 -4.316 19657 4530 1 15 . 1 1 49 49 ASN H H 49 7.460 7.460 8.137 -0.677 19657 4531 1 15 . 1 1 50 50 ASN N N 50 117.167 117.167 114.827 2.340 19657 4532 1 15 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.464 -0.274 19657 4533 1 15 . 1 1 50 50 ASN C C 50 170.581 170.581 173.553 -2.972 19657 4534 1 15 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.403 -2.740 19657 4535 1 15 . 1 1 50 50 ASN CB C 50 34.202 34.202 36.922 -2.720 19657 4536 1 15 . 1 1 50 50 ASN H H 50 7.886 7.886 8.302 -0.416 19657 4537 1 15 . 1 1 51 51 ALA N N 51 121.083 121.083 121.135 -0.052 19657 4538 1 15 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.571 -0.139 19657 4539 1 15 . 1 1 51 51 ALA C C 51 174.002 174.002 175.622 -1.620 19657 4540 1 15 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.551 -1.948 19657 4541 1 15 . 1 1 51 51 ALA CB C 51 17.688 17.688 21.401 -3.713 19657 4542 1 15 . 1 1 51 51 ALA H H 51 7.843 7.843 7.392 0.451 19657 4543 1 15 . 1 1 52 52 VAL N N 52 125.592 125.592 121.628 3.964 19657 4544 1 15 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.072 -0.173 19657 4545 1 15 . 1 1 52 52 VAL C C 52 171.449 171.449 175.007 -3.558 19657 4546 1 15 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.499 -2.605 19657 4547 1 15 . 1 1 52 52 VAL CB C 52 32.369 32.369 35.487 -3.118 19657 4548 1 15 . 1 1 52 52 VAL H H 52 8.241 8.241 8.373 -0.132 19657 4549 1 15 . 1 1 53 53 ASP N N 53 125.731 125.731 126.484 -0.753 19657 4550 1 15 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.914 0.009 19657 4551 1 15 . 1 1 53 53 ASP C C 53 172.314 172.314 174.639 -2.325 19657 4552 1 15 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.234 -2.903 19657 4553 1 15 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.117 -3.355 19657 4554 1 15 . 1 1 53 53 ASP H H 53 8.613 8.613 9.063 -0.450 19657 4555 1 15 . 1 1 54 54 CYS N N 54 122.864 122.864 122.776 0.088 19657 4556 1 15 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.665 -0.031 19657 4557 1 15 . 1 1 54 54 CYS C C 54 167.690 167.690 174.907 -7.217 19657 4558 1 15 . 1 1 54 54 CYS CA C 54 51.047 51.047 57.986 -6.939 19657 4559 1 15 . 1 1 54 54 CYS CB C 54 41.549 41.549 30.205 11.344 19657 4560 1 15 . 1 1 54 54 CYS H H 54 8.627 8.627 8.773 -0.146 19657 4561 1 16 . 1 1 2 2 LYS N N 2 119.803 119.803 118.871 0.932 19657 4562 1 16 . 1 1 2 2 LYS HA H 2 5.249 5.249 5.040 0.209 19657 4563 1 16 . 1 1 2 2 LYS C C 2 172.912 172.912 175.194 -2.282 19657 4564 1 16 . 1 1 2 2 LYS CA C 2 52.189 52.189 54.702 -2.513 19657 4565 1 16 . 1 1 2 2 LYS CB C 2 31.708 31.708 34.483 -2.775 19657 4566 1 16 . 1 1 2 2 LYS H H 2 8.180 8.180 7.401 0.779 19657 4567 1 16 . 1 1 3 3 TYR N N 3 122.744 122.744 119.732 3.012 19657 4568 1 16 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.747 0.049 19657 4569 1 16 . 1 1 3 3 TYR C C 3 172.523 172.523 175.045 -2.522 19657 4570 1 16 . 1 1 3 3 TYR CA C 3 53.741 53.741 57.215 -3.474 19657 4571 1 16 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.471 -0.781 19657 4572 1 16 . 1 1 3 3 TYR H H 3 8.951 8.951 8.715 0.236 19657 4573 1 16 . 1 1 4 4 THR N N 4 117.010 117.010 119.491 -2.481 19657 4574 1 16 . 1 1 4 4 THR HA H 4 5.012 5.012 4.626 0.386 19657 4575 1 16 . 1 1 4 4 THR C C 4 171.489 171.489 174.228 -2.739 19657 4576 1 16 . 1 1 4 4 THR CA C 4 58.808 58.808 61.696 -2.888 19657 4577 1 16 . 1 1 4 4 THR CB C 4 67.837 67.837 69.694 -1.857 19657 4578 1 16 . 1 1 4 4 THR H H 4 8.870 8.870 8.604 0.266 19657 4579 1 16 . 1 1 5 5 GLY N N 5 115.340 115.340 112.743 2.597 19657 4580 1 16 . 1 1 5 5 GLY C C 5 171.505 171.505 172.100 -0.595 19657 4581 1 16 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.597 -2.531 19657 4582 1 16 . 1 1 5 5 GLY H H 5 9.116 9.116 7.862 1.254 19657 4583 1 16 . 1 1 6 6 LYS N N 6 121.120 121.120 119.510 1.610 19657 4584 1 16 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.207 0.182 19657 4585 1 16 . 1 1 6 6 LYS C C 6 174.162 174.162 175.848 -1.686 19657 4586 1 16 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.856 -3.212 19657 4587 1 16 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.194 -1.198 19657 4588 1 16 . 1 1 6 6 LYS H H 6 8.408 8.408 8.030 0.378 19657 4589 1 16 . 1 1 7 7 CYS N N 7 122.530 122.530 119.065 3.465 19657 4590 1 16 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.712 0.620 19657 4591 1 16 . 1 1 7 7 CYS C C 7 169.635 169.635 173.877 -4.242 19657 4592 1 16 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.818 -5.408 19657 4593 1 16 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.715 10.930 19657 4594 1 16 . 1 1 7 7 CYS H H 7 9.795 9.795 8.012 1.783 19657 4595 1 16 . 1 1 8 8 THR N N 8 112.909 112.909 114.209 -1.300 19657 4596 1 16 . 1 1 8 8 THR HA H 8 4.690 4.690 4.730 -0.040 19657 4597 1 16 . 1 1 8 8 THR C C 8 172.048 172.048 174.779 -2.731 19657 4598 1 16 . 1 1 8 8 THR CA C 8 57.291 57.291 60.809 -3.518 19657 4599 1 16 . 1 1 8 8 THR CB C 8 68.608 68.608 71.619 -3.011 19657 4600 1 16 . 1 1 8 8 THR H H 8 8.630 8.630 8.157 0.473 19657 4601 1 16 . 1 1 9 9 LYS N N 9 127.151 127.151 124.027 3.124 19657 4602 1 16 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.152 -0.594 19657 4603 1 16 . 1 1 9 9 LYS C C 9 176.697 176.697 177.310 -0.613 19657 4604 1 16 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.341 -1.145 19657 4605 1 16 . 1 1 9 9 LYS CB C 9 31.079 31.079 32.301 -1.222 19657 4606 1 16 . 1 1 9 9 LYS H H 9 8.916 8.916 8.745 0.171 19657 4607 1 16 . 1 1 10 10 SER N N 10 116.323 116.323 115.441 0.882 19657 4608 1 16 . 1 1 10 10 SER C C 10 176.174 176.174 175.018 1.156 19657 4609 1 16 . 1 1 10 10 SER CA C 10 59.045 59.045 60.054 -1.009 19657 4610 1 16 . 1 1 10 10 SER H H 10 9.391 9.391 7.943 1.448 19657 4611 1 16 . 1 1 11 11 LYS N N 11 116.908 116.908 118.090 -1.182 19657 4612 1 16 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.391 -0.240 19657 4613 1 16 . 1 1 11 11 LYS C C 11 173.027 173.027 176.144 -3.117 19657 4614 1 16 . 1 1 11 11 LYS CA C 11 53.362 53.362 55.977 -2.615 19657 4615 1 16 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.626 -2.076 19657 4616 1 16 . 1 1 11 11 LYS H H 11 7.079 7.079 8.273 -1.194 19657 4617 1 16 . 1 1 12 12 ASN N N 12 120.313 120.313 117.767 2.546 19657 4618 1 16 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.476 0.109 19657 4619 1 16 . 1 1 12 12 ASN C C 12 171.411 171.411 173.318 -1.907 19657 4620 1 16 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.202 -3.328 19657 4621 1 16 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.408 -2.925 19657 4622 1 16 . 1 1 12 12 ASN H H 12 7.589 7.589 8.153 -0.564 19657 4623 1 16 . 1 1 13 13 GLU N N 13 114.653 114.653 114.120 0.533 19657 4624 1 16 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.953 -0.079 19657 4625 1 16 . 1 1 13 13 GLU C C 13 170.929 170.929 174.814 -3.885 19657 4626 1 16 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.542 -2.513 19657 4627 1 16 . 1 1 13 13 GLU CB C 13 33.773 33.773 32.842 0.931 19657 4628 1 16 . 1 1 13 13 GLU H H 13 7.237 7.237 7.600 -0.363 19657 4629 1 16 . 1 1 14 14 CYS N N 14 123.273 123.273 121.141 2.132 19657 4630 1 16 . 1 1 14 14 CYS HA H 14 4.632 4.632 4.983 -0.351 19657 4631 1 16 . 1 1 14 14 CYS C C 14 168.900 168.900 173.466 -4.566 19657 4632 1 16 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.388 -6.274 19657 4633 1 16 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.794 8.748 19657 4634 1 16 . 1 1 14 14 CYS H H 14 9.637 9.637 9.138 0.499 19657 4635 1 16 . 1 1 15 15 LYS N N 15 111.712 111.712 123.704 -11.992 19657 4636 1 16 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.306 -0.378 19657 4637 1 16 . 1 1 15 15 LYS C C 15 172.655 172.655 174.524 -1.869 19657 4638 1 16 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.403 -3.968 19657 4639 1 16 . 1 1 15 15 LYS CB C 15 31.472 31.472 35.429 -3.957 19657 4640 1 16 . 1 1 15 15 LYS H H 15 8.620 8.620 8.524 0.096 19657 4641 1 16 . 1 1 16 16 TYR N N 16 126.641 126.641 122.392 4.249 19657 4642 1 16 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.015 -0.110 19657 4643 1 16 . 1 1 16 16 TYR C C 16 168.924 168.924 173.284 -4.360 19657 4644 1 16 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.712 -3.619 19657 4645 1 16 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.390 -2.911 19657 4646 1 16 . 1 1 16 16 TYR H H 16 8.993 8.993 9.112 -0.119 19657 4647 1 16 . 1 1 17 17 LYS N N 17 120.730 120.730 121.327 -0.597 19657 4648 1 16 . 1 1 17 17 LYS HA H 17 4.414 4.414 5.015 -0.601 19657 4649 1 16 . 1 1 17 17 LYS C C 17 173.386 173.386 176.539 -3.153 19657 4650 1 16 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.254 -3.560 19657 4651 1 16 . 1 1 17 17 LYS CB C 17 30.894 30.894 34.516 -3.622 19657 4652 1 16 . 1 1 17 17 LYS H H 17 8.414 8.414 8.749 -0.335 19657 4653 1 16 . 1 1 18 18 ASN N N 18 122.104 122.104 121.932 0.172 19657 4654 1 16 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.791 -0.695 19657 4655 1 16 . 1 1 18 18 ASN C C 18 173.990 173.990 177.129 -3.139 19657 4656 1 16 . 1 1 18 18 ASN CA C 18 48.158 48.158 51.994 -3.836 19657 4657 1 16 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.922 -4.779 19657 4658 1 16 . 1 1 18 18 ASN H H 18 7.729 7.729 8.323 -0.594 19657 4659 1 16 . 1 1 19 19 ASP N N 19 117.316 117.316 119.597 -2.281 19657 4660 1 16 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.465 -0.092 19657 4661 1 16 . 1 1 19 19 ASP C C 19 173.929 173.929 176.647 -2.718 19657 4662 1 16 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.729 -2.464 19657 4663 1 16 . 1 1 19 19 ASP CB C 19 37.359 37.359 39.999 -2.640 19657 4664 1 16 . 1 1 19 19 ASP H H 19 8.231 8.231 8.765 -0.534 19657 4665 1 16 . 1 1 20 20 ALA N N 20 120.814 120.814 121.420 -0.606 19657 4666 1 16 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.232 0.163 19657 4667 1 16 . 1 1 20 20 ALA C C 20 174.854 174.854 178.475 -3.621 19657 4668 1 16 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.386 -3.621 19657 4669 1 16 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.241 -3.228 19657 4670 1 16 . 1 1 20 20 ALA H H 20 7.413 7.413 8.412 -0.999 19657 4671 1 16 . 1 1 21 21 GLY N N 21 126.585 126.585 105.175 21.410 19657 4672 1 16 . 1 1 21 21 GLY C C 21 171.015 171.015 174.193 -3.178 19657 4673 1 16 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.096 -2.269 19657 4674 1 16 . 1 1 21 21 GLY H H 21 8.162 8.162 8.159 0.003 19657 4675 1 16 . 1 1 22 22 LYS N N 22 120.322 120.322 121.417 -1.095 19657 4676 1 16 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.324 -0.007 19657 4677 1 16 . 1 1 22 22 LYS C C 22 174.076 174.076 175.762 -1.686 19657 4678 1 16 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.964 -4.528 19657 4679 1 16 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.178 -2.602 19657 4680 1 16 . 1 1 22 22 LYS H H 22 7.676 7.676 7.787 -0.111 19657 4681 1 16 . 1 1 23 23 ASP N N 23 126.455 126.455 121.136 5.319 19657 4682 1 16 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.543 -0.281 19657 4683 1 16 . 1 1 23 23 ASP C C 23 172.391 172.391 175.658 -3.267 19657 4684 1 16 . 1 1 23 23 ASP CA C 23 52.973 52.973 53.757 -0.784 19657 4685 1 16 . 1 1 23 23 ASP CB C 23 38.123 38.123 40.820 -2.697 19657 4686 1 16 . 1 1 23 23 ASP H H 23 8.619 8.619 8.393 0.226 19657 4687 1 16 . 1 1 24 24 THR N N 24 122.762 122.762 119.122 3.640 19657 4688 1 16 . 1 1 24 24 THR HA H 24 4.009 4.009 4.410 -0.401 19657 4689 1 16 . 1 1 24 24 THR C C 24 167.562 167.562 172.929 -5.367 19657 4690 1 16 . 1 1 24 24 THR CA C 24 59.223 59.223 61.000 -1.777 19657 4691 1 16 . 1 1 24 24 THR CB C 24 67.985 67.985 70.874 -2.889 19657 4692 1 16 . 1 1 24 24 THR H H 24 8.773 8.773 8.614 0.159 19657 4693 1 16 . 1 1 25 25 PHE N N 25 122.224 122.224 123.554 -1.330 19657 4694 1 16 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.652 -0.271 19657 4695 1 16 . 1 1 25 25 PHE C C 25 172.781 172.781 174.059 -1.278 19657 4696 1 16 . 1 1 25 25 PHE CA C 25 53.597 53.597 54.695 -1.098 19657 4697 1 16 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.627 -2.382 19657 4698 1 16 . 1 1 25 25 PHE H H 25 8.314 8.314 7.764 0.550 19657 4699 1 16 . 1 1 26 26 ILE N N 26 123.050 123.050 121.161 1.889 19657 4700 1 16 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.705 -0.089 19657 4701 1 16 . 1 1 26 26 ILE C C 26 170.373 170.373 174.014 -3.641 19657 4702 1 16 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.847 -3.003 19657 4703 1 16 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.306 -2.831 19657 4704 1 16 . 1 1 26 26 ILE H H 26 9.093 9.093 9.131 -0.038 19657 4705 1 16 . 1 1 27 27 LYS N N 27 126.928 126.928 125.666 1.262 19657 4706 1 16 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.471 -0.280 19657 4707 1 16 . 1 1 27 27 LYS C C 27 174.551 174.551 175.538 -0.987 19657 4708 1 16 . 1 1 27 27 LYS CA C 27 55.166 55.166 55.076 0.090 19657 4709 1 16 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.478 -2.898 19657 4710 1 16 . 1 1 27 27 LYS H H 27 8.309 8.309 8.312 -0.003 19657 4711 1 16 . 1 1 28 28 CYS N N 28 119.357 119.357 122.000 -2.643 19657 4712 1 16 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.858 -0.286 19657 4713 1 16 . 1 1 28 28 CYS C C 28 169.287 169.287 172.750 -3.463 19657 4714 1 16 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.569 -5.028 19657 4715 1 16 . 1 1 28 28 CYS CB C 28 38.587 38.587 27.757 10.830 19657 4716 1 16 . 1 1 28 28 CYS H H 28 8.414 8.414 8.618 -0.204 19657 4717 1 16 . 1 1 30 30 LYS N N 30 116.481 116.481 119.496 -3.015 19657 4718 1 16 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.349 -0.393 19657 4719 1 16 . 1 1 30 30 LYS C C 30 173.819 173.819 176.071 -2.252 19657 4720 1 16 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.595 -3.098 19657 4721 1 16 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.590 -2.500 19657 4722 1 16 . 1 1 30 30 LYS H H 30 8.004 8.004 8.672 -0.668 19657 4723 1 16 . 1 1 31 31 PHE N N 31 116.963 116.963 118.052 -1.089 19657 4724 1 16 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.516 -0.039 19657 4725 1 16 . 1 1 31 31 PHE C C 31 173.518 173.518 176.883 -3.365 19657 4726 1 16 . 1 1 31 31 PHE CA C 31 54.044 54.044 57.137 -3.093 19657 4727 1 16 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.066 -2.423 19657 4728 1 16 . 1 1 31 31 PHE H H 31 6.424 6.424 7.973 -1.549 19657 4729 1 16 . 1 1 32 32 ASP N N 32 121.612 121.612 120.330 1.282 19657 4730 1 16 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.508 -0.372 19657 4731 1 16 . 1 1 32 32 ASP C C 32 173.688 173.688 177.253 -3.565 19657 4732 1 16 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.342 -1.549 19657 4733 1 16 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.642 -2.750 19657 4734 1 16 . 1 1 32 32 ASP H H 32 8.800 8.800 8.713 0.087 19657 4735 1 16 . 1 1 33 33 ASN N N 33 113.168 113.168 117.013 -3.845 19657 4736 1 16 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.639 -0.076 19657 4737 1 16 . 1 1 33 33 ASN C C 33 172.656 172.656 174.993 -2.337 19657 4738 1 16 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.388 -3.026 19657 4739 1 16 . 1 1 33 33 ASN CB C 33 34.754 34.754 39.151 -4.397 19657 4740 1 16 . 1 1 33 33 ASN H H 33 8.455 8.455 8.489 -0.034 19657 4741 1 16 . 1 1 34 34 LYS N N 34 117.622 117.622 117.893 -0.271 19657 4742 1 16 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.482 0.382 19657 4743 1 16 . 1 1 34 34 LYS C C 34 171.666 171.666 173.877 -2.211 19657 4744 1 16 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.316 -4.168 19657 4745 1 16 . 1 1 34 34 LYS CB C 34 32.813 32.813 34.983 -2.170 19657 4746 1 16 . 1 1 34 34 LYS H H 34 7.676 7.676 7.577 0.099 19657 4747 1 16 . 1 1 35 35 LYS N N 35 116.880 116.880 118.039 -1.159 19657 4748 1 16 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.739 -0.240 19657 4749 1 16 . 1 1 35 35 LYS C C 35 172.133 172.133 174.003 -1.870 19657 4750 1 16 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.991 -2.836 19657 4751 1 16 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.791 -5.016 19657 4752 1 16 . 1 1 35 35 LYS H H 35 6.927 6.927 7.842 -0.915 19657 4753 1 16 . 1 1 36 36 CYS N N 36 117.678 117.678 119.641 -1.963 19657 4754 1 16 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.827 -0.140 19657 4755 1 16 . 1 1 36 36 CYS C C 36 174.909 174.909 175.273 -0.364 19657 4756 1 16 . 1 1 36 36 CYS CA C 36 53.356 53.356 59.026 -5.670 19657 4757 1 16 . 1 1 36 36 CYS CB C 36 38.703 38.703 27.735 10.968 19657 4758 1 16 . 1 1 36 36 CYS H H 36 8.572 8.572 8.742 -0.170 19657 4759 1 16 . 1 1 37 37 THR N N 37 121.872 121.872 118.684 3.188 19657 4760 1 16 . 1 1 37 37 THR HA H 37 4.219 4.219 4.364 -0.145 19657 4761 1 16 . 1 1 37 37 THR C C 37 172.565 172.565 173.624 -1.059 19657 4762 1 16 . 1 1 37 37 THR CA C 37 60.478 60.478 62.894 -2.416 19657 4763 1 16 . 1 1 37 37 THR CB C 37 68.235 68.235 69.028 -0.792 19657 4764 1 16 . 1 1 37 37 THR H H 37 10.105 10.105 8.698 1.407 19657 4765 1 16 . 1 1 38 38 LYS N N 38 122.020 122.020 120.637 1.383 19657 4766 1 16 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.495 -0.340 19657 4767 1 16 . 1 1 38 38 LYS C C 38 170.713 170.713 174.456 -3.743 19657 4768 1 16 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.752 -0.887 19657 4769 1 16 . 1 1 38 38 LYS CB C 38 32.499 32.499 35.880 -3.381 19657 4770 1 16 . 1 1 38 38 LYS H H 38 7.258 7.258 7.502 -0.244 19657 4771 1 16 . 1 1 39 39 ASP N N 39 124.776 124.776 120.949 3.827 19657 4772 1 16 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.470 0.107 19657 4773 1 16 . 1 1 39 39 ASP C C 39 175.068 175.068 176.528 -1.460 19657 4774 1 16 . 1 1 39 39 ASP CA C 39 54.033 54.033 55.250 -1.217 19657 4775 1 16 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.472 -4.018 19657 4776 1 16 . 1 1 39 39 ASP H H 39 8.783 8.783 8.403 0.380 19657 4777 1 16 . 1 1 40 40 ASN N N 40 114.764 114.764 116.941 -2.177 19657 4778 1 16 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.249 0.013 19657 4779 1 16 . 1 1 40 40 ASN C C 40 171.530 171.530 174.393 -2.863 19657 4780 1 16 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.444 -1.468 19657 4781 1 16 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.252 -4.072 19657 4782 1 16 . 1 1 40 40 ASN H H 40 9.467 9.467 8.469 0.998 19657 4783 1 16 . 1 1 41 41 ASN N N 41 120.183 120.183 116.188 3.995 19657 4784 1 16 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.510 0.165 19657 4785 1 16 . 1 1 41 41 ASN C C 41 171.964 171.964 175.026 -3.062 19657 4786 1 16 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.489 -5.121 19657 4787 1 16 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.640 -3.242 19657 4788 1 16 . 1 1 41 41 ASN H H 41 7.729 7.729 7.814 -0.085 19657 4789 1 16 . 1 1 42 42 LYS N N 42 119.700 119.700 117.793 1.907 19657 4790 1 16 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.121 -0.766 19657 4791 1 16 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.127 -0.577 19657 4792 1 16 . 1 1 42 42 LYS CB C 42 30.627 30.627 36.059 -5.432 19657 4793 1 16 . 1 1 42 42 LYS H H 42 8.496 8.496 8.183 0.313 19657 4794 1 16 . 1 1 43 43 CYS N N 43 113.920 113.920 118.015 -4.095 19657 4795 1 16 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.547 -0.203 19657 4796 1 16 . 1 1 43 43 CYS C C 43 169.725 169.725 173.878 -4.153 19657 4797 1 16 . 1 1 43 43 CYS CA C 43 50.891 50.891 56.973 -6.082 19657 4798 1 16 . 1 1 43 43 CYS H H 43 7.542 7.542 9.200 -1.658 19657 4799 1 16 . 1 1 44 44 THR N N 44 113.141 113.141 115.550 -2.409 19657 4800 1 16 . 1 1 44 44 THR HA H 44 5.229 5.229 5.071 0.158 19657 4801 1 16 . 1 1 44 44 THR C C 44 169.993 169.993 173.134 -3.141 19657 4802 1 16 . 1 1 44 44 THR CA C 44 57.308 57.308 61.029 -3.721 19657 4803 1 16 . 1 1 44 44 THR CB C 44 69.607 69.607 71.262 -1.655 19657 4804 1 16 . 1 1 44 44 THR H H 44 8.987 8.987 8.887 0.100 19657 4805 1 16 . 1 1 45 45 VAL N N 45 121.909 121.909 124.076 -2.167 19657 4806 1 16 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.508 -0.021 19657 4807 1 16 . 1 1 45 45 VAL C C 45 171.182 171.182 174.159 -2.977 19657 4808 1 16 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.746 -3.678 19657 4809 1 16 . 1 1 45 45 VAL CB C 45 33.384 33.384 34.895 -1.511 19657 4810 1 16 . 1 1 45 45 VAL H H 45 8.571 8.571 8.183 0.388 19657 4811 1 16 . 1 1 46 46 ASP N N 46 126.446 126.446 126.568 -0.122 19657 4812 1 16 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.216 0.111 19657 4813 1 16 . 1 1 46 46 ASP C C 46 175.630 175.630 176.630 -1.000 19657 4814 1 16 . 1 1 46 46 ASP CA C 46 49.255 49.255 53.519 -4.264 19657 4815 1 16 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.652 -4.601 19657 4816 1 16 . 1 1 46 46 ASP H H 46 8.566 8.566 8.353 0.213 19657 4817 1 16 . 1 1 47 47 THR N N 47 114.273 114.273 119.896 -5.623 19657 4818 1 16 . 1 1 47 47 THR HA H 47 4.185 4.185 4.357 -0.172 19657 4819 1 16 . 1 1 47 47 THR C C 47 173.322 173.322 175.284 -1.962 19657 4820 1 16 . 1 1 47 47 THR CA C 47 60.559 60.559 64.530 -3.971 19657 4821 1 16 . 1 1 47 47 THR CB C 47 66.582 66.582 69.420 -2.838 19657 4822 1 16 . 1 1 47 47 THR H H 47 9.087 9.087 8.539 0.548 19657 4823 1 16 . 1 1 48 48 TYR N N 48 123.848 123.848 121.228 2.620 19657 4824 1 16 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.435 -0.042 19657 4825 1 16 . 1 1 48 48 TYR C C 48 173.776 173.776 176.995 -3.219 19657 4826 1 16 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.658 -3.039 19657 4827 1 16 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.923 -3.106 19657 4828 1 16 . 1 1 48 48 TYR H H 48 8.818 8.818 8.222 0.596 19657 4829 1 16 . 1 1 49 49 ASN N N 49 113.642 113.642 114.608 -0.966 19657 4830 1 16 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.791 -0.326 19657 4831 1 16 . 1 1 49 49 ASN C C 49 172.356 172.356 174.768 -2.412 19657 4832 1 16 . 1 1 49 49 ASN CA C 49 49.231 49.231 53.132 -3.901 19657 4833 1 16 . 1 1 49 49 ASN CB C 49 34.484 34.484 39.007 -4.523 19657 4834 1 16 . 1 1 49 49 ASN H H 49 7.460 7.460 8.236 -0.776 19657 4835 1 16 . 1 1 50 50 ASN N N 50 117.167 117.167 117.053 0.114 19657 4836 1 16 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.476 -0.286 19657 4837 1 16 . 1 1 50 50 ASN C C 50 170.581 170.581 173.299 -2.718 19657 4838 1 16 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.374 -2.711 19657 4839 1 16 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.608 -3.406 19657 4840 1 16 . 1 1 50 50 ASN H H 50 7.886 7.886 7.891 -0.005 19657 4841 1 16 . 1 1 51 51 ALA N N 51 121.083 121.083 120.611 0.472 19657 4842 1 16 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.597 -0.165 19657 4843 1 16 . 1 1 51 51 ALA C C 51 174.002 174.002 175.991 -1.989 19657 4844 1 16 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.267 -1.664 19657 4845 1 16 . 1 1 51 51 ALA CB C 51 17.688 17.688 20.913 -3.225 19657 4846 1 16 . 1 1 51 51 ALA H H 51 7.843 7.843 7.542 0.301 19657 4847 1 16 . 1 1 52 52 VAL N N 52 125.592 125.592 118.425 7.167 19657 4848 1 16 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.256 -0.357 19657 4849 1 16 . 1 1 52 52 VAL C C 52 171.449 171.449 174.082 -2.633 19657 4850 1 16 . 1 1 52 52 VAL CA C 52 57.894 57.894 59.707 -1.813 19657 4851 1 16 . 1 1 52 52 VAL CB C 52 32.369 32.369 34.151 -1.782 19657 4852 1 16 . 1 1 52 52 VAL H H 52 8.241 8.241 8.338 -0.097 19657 4853 1 16 . 1 1 53 53 ASP N N 53 125.731 125.731 125.656 0.075 19657 4854 1 16 . 1 1 53 53 ASP HA H 53 4.923 4.923 5.011 -0.088 19657 4855 1 16 . 1 1 53 53 ASP C C 53 172.314 172.314 174.777 -2.463 19657 4856 1 16 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.613 -3.282 19657 4857 1 16 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.538 -3.776 19657 4858 1 16 . 1 1 53 53 ASP H H 53 8.613 8.613 8.532 0.081 19657 4859 1 16 . 1 1 54 54 CYS N N 54 122.864 122.864 121.178 1.686 19657 4860 1 16 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.944 -0.310 19657 4861 1 16 . 1 1 54 54 CYS C C 54 167.690 167.690 173.813 -6.123 19657 4862 1 16 . 1 1 54 54 CYS CA C 54 51.047 51.047 55.819 -4.772 19657 4863 1 16 . 1 1 54 54 CYS CB C 54 41.549 41.549 31.216 10.333 19657 4864 1 16 . 1 1 54 54 CYS H H 54 8.627 8.627 8.756 -0.129 19657 4865 1 17 . 1 1 2 2 LYS N N 2 119.803 119.803 119.895 -0.092 19657 4866 1 17 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.349 0.900 19657 4867 1 17 . 1 1 2 2 LYS C C 2 172.912 172.912 175.187 -2.275 19657 4868 1 17 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.509 -3.320 19657 4869 1 17 . 1 1 2 2 LYS CB C 2 31.708 31.708 32.549 -0.841 19657 4870 1 17 . 1 1 2 2 LYS H H 2 8.180 8.180 7.592 0.588 19657 4871 1 17 . 1 1 3 3 TYR N N 3 122.744 122.744 126.374 -3.630 19657 4872 1 17 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.762 0.034 19657 4873 1 17 . 1 1 3 3 TYR C C 3 172.523 172.523 175.323 -2.800 19657 4874 1 17 . 1 1 3 3 TYR CA C 3 53.741 53.741 56.799 -3.058 19657 4875 1 17 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.316 -0.626 19657 4876 1 17 . 1 1 3 3 TYR H H 3 8.951 8.951 8.110 0.841 19657 4877 1 17 . 1 1 4 4 THR N N 4 117.010 117.010 119.841 -2.831 19657 4878 1 17 . 1 1 4 4 THR HA H 4 5.012 5.012 4.708 0.304 19657 4879 1 17 . 1 1 4 4 THR C C 4 171.489 171.489 174.004 -2.515 19657 4880 1 17 . 1 1 4 4 THR CA C 4 58.808 58.808 61.148 -2.340 19657 4881 1 17 . 1 1 4 4 THR CB C 4 67.837 67.837 69.703 -1.866 19657 4882 1 17 . 1 1 4 4 THR H H 4 8.870 8.870 8.667 0.203 19657 4883 1 17 . 1 1 5 5 GLY N N 5 115.340 115.340 111.918 3.422 19657 4884 1 17 . 1 1 5 5 GLY C C 5 171.505 171.505 171.994 -0.489 19657 4885 1 17 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.761 -2.695 19657 4886 1 17 . 1 1 5 5 GLY H H 5 9.116 9.116 8.029 1.087 19657 4887 1 17 . 1 1 6 6 LYS N N 6 121.120 121.120 119.835 1.285 19657 4888 1 17 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.311 0.078 19657 4889 1 17 . 1 1 6 6 LYS C C 6 174.162 174.162 175.909 -1.747 19657 4890 1 17 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.782 -3.138 19657 4891 1 17 . 1 1 6 6 LYS CB C 6 34.997 34.997 35.974 -0.977 19657 4892 1 17 . 1 1 6 6 LYS H H 6 8.408 8.408 8.161 0.247 19657 4893 1 17 . 1 1 7 7 CYS N N 7 122.530 122.530 119.457 3.073 19657 4894 1 17 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.683 0.649 19657 4895 1 17 . 1 1 7 7 CYS C C 7 169.635 169.635 173.683 -4.048 19657 4896 1 17 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.701 -5.291 19657 4897 1 17 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.358 11.287 19657 4898 1 17 . 1 1 7 7 CYS H H 7 9.795 9.795 8.210 1.585 19657 4899 1 17 . 1 1 8 8 THR N N 8 112.909 112.909 112.312 0.597 19657 4900 1 17 . 1 1 8 8 THR HA H 8 4.690 4.690 4.720 -0.030 19657 4901 1 17 . 1 1 8 8 THR C C 8 172.048 172.048 175.340 -3.292 19657 4902 1 17 . 1 1 8 8 THR CA C 8 57.291 57.291 60.296 -3.005 19657 4903 1 17 . 1 1 8 8 THR CB C 8 68.608 68.608 71.485 -2.877 19657 4904 1 17 . 1 1 8 8 THR H H 8 8.630 8.630 7.992 0.638 19657 4905 1 17 . 1 1 9 9 LYS N N 9 127.151 127.151 123.669 3.482 19657 4906 1 17 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.364 -0.806 19657 4907 1 17 . 1 1 9 9 LYS C C 9 176.697 176.697 177.539 -0.842 19657 4908 1 17 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.186 -0.990 19657 4909 1 17 . 1 1 9 9 LYS CB C 9 31.079 31.079 32.343 -1.264 19657 4910 1 17 . 1 1 9 9 LYS H H 9 8.916 8.916 8.934 -0.018 19657 4911 1 17 . 1 1 10 10 SER N N 10 116.323 116.323 115.293 1.030 19657 4912 1 17 . 1 1 10 10 SER C C 10 176.174 176.174 175.632 0.542 19657 4913 1 17 . 1 1 10 10 SER CA C 10 59.045 59.045 60.557 -1.512 19657 4914 1 17 . 1 1 10 10 SER H H 10 9.391 9.391 8.170 1.221 19657 4915 1 17 . 1 1 11 11 LYS N N 11 116.908 116.908 120.393 -3.485 19657 4916 1 17 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.315 -0.164 19657 4917 1 17 . 1 1 11 11 LYS C C 11 173.027 173.027 176.664 -3.637 19657 4918 1 17 . 1 1 11 11 LYS CA C 11 53.362 53.362 56.059 -2.696 19657 4919 1 17 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.922 -2.372 19657 4920 1 17 . 1 1 11 11 LYS H H 11 7.079 7.079 8.124 -1.045 19657 4921 1 17 . 1 1 12 12 ASN N N 12 120.313 120.313 117.832 2.481 19657 4922 1 17 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.533 0.052 19657 4923 1 17 . 1 1 12 12 ASN C C 12 171.411 171.411 173.330 -1.919 19657 4924 1 17 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.381 -3.507 19657 4925 1 17 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.227 -2.744 19657 4926 1 17 . 1 1 12 12 ASN H H 12 7.589 7.589 7.999 -0.410 19657 4927 1 17 . 1 1 13 13 GLU N N 13 114.653 114.653 117.227 -2.574 19657 4928 1 17 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.765 0.109 19657 4929 1 17 . 1 1 13 13 GLU C C 13 170.929 170.929 174.740 -3.811 19657 4930 1 17 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.801 -2.772 19657 4931 1 17 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.089 0.684 19657 4932 1 17 . 1 1 13 13 GLU H H 13 7.237 7.237 7.864 -0.627 19657 4933 1 17 . 1 1 14 14 CYS N N 14 123.273 123.273 124.845 -1.572 19657 4934 1 17 . 1 1 14 14 CYS HA H 14 4.632 4.632 4.977 -0.345 19657 4935 1 17 . 1 1 14 14 CYS C C 14 168.900 168.900 173.400 -4.500 19657 4936 1 17 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.461 -6.347 19657 4937 1 17 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.308 9.234 19657 4938 1 17 . 1 1 14 14 CYS H H 14 9.637 9.637 9.117 0.520 19657 4939 1 17 . 1 1 15 15 LYS N N 15 111.712 111.712 124.643 -12.931 19657 4940 1 17 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.220 -0.292 19657 4941 1 17 . 1 1 15 15 LYS C C 15 172.655 172.655 174.574 -1.919 19657 4942 1 17 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.211 -3.776 19657 4943 1 17 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.921 -3.449 19657 4944 1 17 . 1 1 15 15 LYS H H 15 8.620 8.620 8.648 -0.028 19657 4945 1 17 . 1 1 16 16 TYR N N 16 126.641 126.641 122.297 4.344 19657 4946 1 17 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.063 -0.158 19657 4947 1 17 . 1 1 16 16 TYR C C 16 168.924 168.924 173.311 -4.387 19657 4948 1 17 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.172 -3.079 19657 4949 1 17 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.845 -3.366 19657 4950 1 17 . 1 1 16 16 TYR H H 16 8.993 8.993 9.273 -0.280 19657 4951 1 17 . 1 1 17 17 LYS N N 17 120.730 120.730 121.658 -0.928 19657 4952 1 17 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.634 -0.220 19657 4953 1 17 . 1 1 17 17 LYS C C 17 173.386 173.386 176.289 -2.903 19657 4954 1 17 . 1 1 17 17 LYS CA C 17 51.694 51.694 54.978 -3.284 19657 4955 1 17 . 1 1 17 17 LYS CB C 17 30.894 30.894 34.219 -3.325 19657 4956 1 17 . 1 1 17 17 LYS H H 17 8.414 8.414 8.763 -0.349 19657 4957 1 17 . 1 1 18 18 ASN N N 18 122.104 122.104 122.731 -0.627 19657 4958 1 17 . 1 1 18 18 ASN HA H 18 4.096 4.096 3.926 0.170 19657 4959 1 17 . 1 1 18 18 ASN C C 18 173.990 173.990 176.232 -2.242 19657 4960 1 17 . 1 1 18 18 ASN CA C 18 48.158 48.158 52.579 -4.421 19657 4961 1 17 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.260 -4.117 19657 4962 1 17 . 1 1 18 18 ASN H H 18 7.729 7.729 7.920 -0.191 19657 4963 1 17 . 1 1 19 19 ASP N N 19 117.316 117.316 120.830 -3.514 19657 4964 1 17 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.574 -0.201 19657 4965 1 17 . 1 1 19 19 ASP C C 19 173.929 173.929 177.094 -3.165 19657 4966 1 17 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.799 -2.534 19657 4967 1 17 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.734 -3.375 19657 4968 1 17 . 1 1 19 19 ASP H H 19 8.231 8.231 8.618 -0.387 19657 4969 1 17 . 1 1 20 20 ALA N N 20 120.814 120.814 120.178 0.636 19657 4970 1 17 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.227 0.168 19657 4971 1 17 . 1 1 20 20 ALA C C 20 174.854 174.854 178.391 -3.537 19657 4972 1 17 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.416 -3.651 19657 4973 1 17 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.298 -3.285 19657 4974 1 17 . 1 1 20 20 ALA H H 20 7.413 7.413 8.439 -1.026 19657 4975 1 17 . 1 1 21 21 GLY N N 21 126.585 126.585 105.669 20.916 19657 4976 1 17 . 1 1 21 21 GLY C C 21 171.015 171.015 173.798 -2.783 19657 4977 1 17 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.078 -2.251 19657 4978 1 17 . 1 1 21 21 GLY H H 21 8.162 8.162 7.971 0.191 19657 4979 1 17 . 1 1 22 22 LYS N N 22 120.322 120.322 121.988 -1.666 19657 4980 1 17 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.241 0.076 19657 4981 1 17 . 1 1 22 22 LYS C C 22 174.076 174.076 175.848 -1.772 19657 4982 1 17 . 1 1 22 22 LYS CA C 22 51.436 51.436 56.129 -4.693 19657 4983 1 17 . 1 1 22 22 LYS CB C 22 30.576 30.576 32.678 -2.102 19657 4984 1 17 . 1 1 22 22 LYS H H 22 7.676 7.676 7.796 -0.120 19657 4985 1 17 . 1 1 23 23 ASP N N 23 126.455 126.455 122.409 4.046 19657 4986 1 17 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.436 -0.173 19657 4987 1 17 . 1 1 23 23 ASP C C 23 172.391 172.391 175.965 -3.574 19657 4988 1 17 . 1 1 23 23 ASP CA C 23 52.973 52.973 54.122 -1.149 19657 4989 1 17 . 1 1 23 23 ASP CB C 23 38.123 38.123 40.768 -2.645 19657 4990 1 17 . 1 1 23 23 ASP H H 23 8.619 8.619 8.401 0.218 19657 4991 1 17 . 1 1 24 24 THR N N 24 122.762 122.762 119.189 3.573 19657 4992 1 17 . 1 1 24 24 THR HA H 24 4.009 4.009 4.484 -0.475 19657 4993 1 17 . 1 1 24 24 THR C C 24 167.562 167.562 172.745 -5.183 19657 4994 1 17 . 1 1 24 24 THR CA C 24 59.223 59.223 61.332 -2.109 19657 4995 1 17 . 1 1 24 24 THR CB C 24 67.985 67.985 71.555 -3.570 19657 4996 1 17 . 1 1 24 24 THR H H 24 8.773 8.773 8.678 0.095 19657 4997 1 17 . 1 1 25 25 PHE N N 25 122.224 122.224 123.576 -1.352 19657 4998 1 17 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.497 -0.115 19657 4999 1 17 . 1 1 25 25 PHE C C 25 172.781 172.781 174.070 -1.289 19657 5000 1 17 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.442 -1.845 19657 5001 1 17 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.276 -2.031 19657 5002 1 17 . 1 1 25 25 PHE H H 25 8.314 8.314 7.774 0.540 19657 5003 1 17 . 1 1 26 26 ILE N N 26 123.050 123.050 123.765 -0.715 19657 5004 1 17 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.515 0.101 19657 5005 1 17 . 1 1 26 26 ILE C C 26 170.373 170.373 174.391 -4.018 19657 5006 1 17 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.100 -2.256 19657 5007 1 17 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.812 -3.337 19657 5008 1 17 . 1 1 26 26 ILE H H 26 9.093 9.093 8.956 0.137 19657 5009 1 17 . 1 1 27 27 LYS N N 27 126.928 126.928 124.834 2.094 19657 5010 1 17 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.313 -0.122 19657 5011 1 17 . 1 1 27 27 LYS C C 27 174.551 174.551 175.542 -0.991 19657 5012 1 17 . 1 1 27 27 LYS CA C 27 55.166 55.166 56.175 -1.009 19657 5013 1 17 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.272 -2.692 19657 5014 1 17 . 1 1 27 27 LYS H H 27 8.309 8.309 8.285 0.024 19657 5015 1 17 . 1 1 28 28 CYS N N 28 119.357 119.357 123.023 -3.666 19657 5016 1 17 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.932 -0.360 19657 5017 1 17 . 1 1 28 28 CYS C C 28 169.287 169.287 173.160 -3.873 19657 5018 1 17 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.309 -4.768 19657 5019 1 17 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.537 10.050 19657 5020 1 17 . 1 1 28 28 CYS H H 28 8.414 8.414 8.591 -0.177 19657 5021 1 17 . 1 1 30 30 LYS N N 30 116.481 116.481 119.926 -3.445 19657 5022 1 17 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.366 -0.410 19657 5023 1 17 . 1 1 30 30 LYS C C 30 173.819 173.819 175.932 -2.113 19657 5024 1 17 . 1 1 30 30 LYS CA C 30 53.497 53.497 55.820 -2.323 19657 5025 1 17 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.655 -2.565 19657 5026 1 17 . 1 1 30 30 LYS H H 30 8.004 8.004 8.646 -0.642 19657 5027 1 17 . 1 1 31 31 PHE N N 31 116.963 116.963 118.734 -1.771 19657 5028 1 17 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.479 -0.002 19657 5029 1 17 . 1 1 31 31 PHE C C 31 173.518 173.518 177.296 -3.778 19657 5030 1 17 . 1 1 31 31 PHE CA C 31 54.044 54.044 58.042 -3.998 19657 5031 1 17 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.730 -3.087 19657 5032 1 17 . 1 1 31 31 PHE H H 31 6.424 6.424 7.818 -1.394 19657 5033 1 17 . 1 1 32 32 ASP N N 32 121.612 121.612 121.796 -0.184 19657 5034 1 17 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.353 -0.217 19657 5035 1 17 . 1 1 32 32 ASP C C 32 173.688 173.688 176.790 -3.102 19657 5036 1 17 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.382 -1.589 19657 5037 1 17 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.705 -2.813 19657 5038 1 17 . 1 1 32 32 ASP H H 32 8.800 8.800 8.811 -0.011 19657 5039 1 17 . 1 1 33 33 ASN N N 33 113.168 113.168 116.795 -3.627 19657 5040 1 17 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.660 -0.097 19657 5041 1 17 . 1 1 33 33 ASN C C 33 172.656 172.656 175.053 -2.397 19657 5042 1 17 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.231 -2.869 19657 5043 1 17 . 1 1 33 33 ASN CB C 33 34.754 34.754 39.006 -4.252 19657 5044 1 17 . 1 1 33 33 ASN H H 33 8.455 8.455 8.466 -0.011 19657 5045 1 17 . 1 1 34 34 LYS N N 34 117.622 117.622 117.614 0.008 19657 5046 1 17 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.514 0.350 19657 5047 1 17 . 1 1 34 34 LYS C C 34 171.666 171.666 173.804 -2.138 19657 5048 1 17 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.326 -4.178 19657 5049 1 17 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.079 -2.266 19657 5050 1 17 . 1 1 34 34 LYS H H 34 7.676 7.676 7.802 -0.126 19657 5051 1 17 . 1 1 35 35 LYS N N 35 116.880 116.880 119.069 -2.189 19657 5052 1 17 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.865 -0.366 19657 5053 1 17 . 1 1 35 35 LYS C C 35 172.133 172.133 174.435 -2.302 19657 5054 1 17 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.866 -2.711 19657 5055 1 17 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.544 -4.769 19657 5056 1 17 . 1 1 35 35 LYS H H 35 6.927 6.927 7.912 -0.985 19657 5057 1 17 . 1 1 36 36 CYS N N 36 117.678 117.678 119.659 -1.981 19657 5058 1 17 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.899 -0.211 19657 5059 1 17 . 1 1 36 36 CYS C C 36 174.909 174.909 176.573 -1.664 19657 5060 1 17 . 1 1 36 36 CYS CA C 36 53.356 53.356 58.863 -5.507 19657 5061 1 17 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.500 12.204 19657 5062 1 17 . 1 1 36 36 CYS H H 36 8.572 8.572 8.847 -0.275 19657 5063 1 17 . 1 1 37 37 THR N N 37 121.872 121.872 118.009 3.863 19657 5064 1 17 . 1 1 37 37 THR HA H 37 4.219 4.219 4.313 -0.094 19657 5065 1 17 . 1 1 37 37 THR C C 37 172.565 172.565 174.202 -1.637 19657 5066 1 17 . 1 1 37 37 THR CA C 37 60.478 60.478 63.012 -2.534 19657 5067 1 17 . 1 1 37 37 THR CB C 37 68.235 68.235 69.593 -1.358 19657 5068 1 17 . 1 1 37 37 THR H H 37 10.105 10.105 8.403 1.702 19657 5069 1 17 . 1 1 38 38 LYS N N 38 122.020 122.020 121.663 0.357 19657 5070 1 17 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.471 -0.316 19657 5071 1 17 . 1 1 38 38 LYS C C 38 170.713 170.713 174.989 -4.276 19657 5072 1 17 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.891 -1.026 19657 5073 1 17 . 1 1 38 38 LYS CB C 38 32.499 32.499 34.970 -2.471 19657 5074 1 17 . 1 1 38 38 LYS H H 38 7.258 7.258 7.737 -0.479 19657 5075 1 17 . 1 1 39 39 ASP N N 39 124.776 124.776 123.023 1.753 19657 5076 1 17 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.643 -0.066 19657 5077 1 17 . 1 1 39 39 ASP C C 39 175.068 175.068 176.622 -1.554 19657 5078 1 17 . 1 1 39 39 ASP CA C 39 54.033 54.033 55.568 -1.534 19657 5079 1 17 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.716 -4.262 19657 5080 1 17 . 1 1 39 39 ASP H H 39 8.783 8.783 8.559 0.224 19657 5081 1 17 . 1 1 40 40 ASN N N 40 114.764 114.764 117.250 -2.486 19657 5082 1 17 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.300 -0.038 19657 5083 1 17 . 1 1 40 40 ASN C C 40 171.530 171.530 174.440 -2.910 19657 5084 1 17 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.326 -1.351 19657 5085 1 17 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.118 -3.938 19657 5086 1 17 . 1 1 40 40 ASN H H 40 9.467 9.467 8.377 1.090 19657 5087 1 17 . 1 1 41 41 ASN N N 41 120.183 120.183 116.238 3.945 19657 5088 1 17 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.521 0.154 19657 5089 1 17 . 1 1 41 41 ASN C C 41 171.964 171.964 174.947 -2.983 19657 5090 1 17 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.423 -5.055 19657 5091 1 17 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.526 -3.128 19657 5092 1 17 . 1 1 41 41 ASN H H 41 7.729 7.729 7.924 -0.195 19657 5093 1 17 . 1 1 42 42 LYS N N 42 119.700 119.700 118.222 1.478 19657 5094 1 17 . 1 1 42 42 LYS HA H 42 4.355 4.355 4.998 -0.643 19657 5095 1 17 . 1 1 42 42 LYS CA C 42 54.550 54.550 54.958 -0.408 19657 5096 1 17 . 1 1 42 42 LYS CB C 42 30.627 30.627 35.386 -4.759 19657 5097 1 17 . 1 1 42 42 LYS H H 42 8.496 8.496 8.133 0.363 19657 5098 1 17 . 1 1 43 43 CYS N N 43 113.920 113.920 120.325 -6.405 19657 5099 1 17 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.576 -0.232 19657 5100 1 17 . 1 1 43 43 CYS C C 43 169.725 169.725 173.233 -3.508 19657 5101 1 17 . 1 1 43 43 CYS CA C 43 50.891 50.891 55.816 -4.925 19657 5102 1 17 . 1 1 43 43 CYS H H 43 7.542 7.542 9.381 -1.839 19657 5103 1 17 . 1 1 44 44 THR N N 44 113.141 113.141 114.055 -0.914 19657 5104 1 17 . 1 1 44 44 THR HA H 44 5.229 5.229 5.202 0.027 19657 5105 1 17 . 1 1 44 44 THR C C 44 169.993 169.993 173.421 -3.428 19657 5106 1 17 . 1 1 44 44 THR CA C 44 57.308 57.308 60.750 -3.442 19657 5107 1 17 . 1 1 44 44 THR CB C 44 69.607 69.607 71.694 -2.087 19657 5108 1 17 . 1 1 44 44 THR H H 44 8.987 8.987 8.866 0.121 19657 5109 1 17 . 1 1 45 45 VAL N N 45 121.909 121.909 122.070 -0.161 19657 5110 1 17 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.530 -0.043 19657 5111 1 17 . 1 1 45 45 VAL C C 45 171.182 171.182 173.498 -2.316 19657 5112 1 17 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.492 -3.423 19657 5113 1 17 . 1 1 45 45 VAL CB C 45 33.384 33.384 35.056 -1.672 19657 5114 1 17 . 1 1 45 45 VAL H H 45 8.571 8.571 8.099 0.472 19657 5115 1 17 . 1 1 46 46 ASP N N 46 126.446 126.446 125.557 0.889 19657 5116 1 17 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.492 -0.165 19657 5117 1 17 . 1 1 46 46 ASP C C 46 175.630 175.630 176.655 -1.025 19657 5118 1 17 . 1 1 46 46 ASP CA C 46 49.255 49.255 51.888 -2.633 19657 5119 1 17 . 1 1 46 46 ASP CB C 46 40.051 40.051 45.004 -4.953 19657 5120 1 17 . 1 1 46 46 ASP H H 46 8.566 8.566 8.208 0.358 19657 5121 1 17 . 1 1 47 47 THR N N 47 114.273 114.273 120.273 -6.000 19657 5122 1 17 . 1 1 47 47 THR HA H 47 4.185 4.185 4.393 -0.208 19657 5123 1 17 . 1 1 47 47 THR C C 47 173.322 173.322 175.497 -2.175 19657 5124 1 17 . 1 1 47 47 THR CA C 47 60.559 60.559 63.954 -3.395 19657 5125 1 17 . 1 1 47 47 THR CB C 47 66.582 66.582 69.096 -2.514 19657 5126 1 17 . 1 1 47 47 THR H H 47 9.087 9.087 8.847 0.240 19657 5127 1 17 . 1 1 48 48 TYR N N 48 123.848 123.848 121.456 2.392 19657 5128 1 17 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.465 -0.072 19657 5129 1 17 . 1 1 48 48 TYR C C 48 173.776 173.776 176.845 -3.069 19657 5130 1 17 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.751 -3.132 19657 5131 1 17 . 1 1 48 48 TYR CB C 48 35.817 35.817 39.041 -3.224 19657 5132 1 17 . 1 1 48 48 TYR H H 48 8.818 8.818 8.858 -0.040 19657 5133 1 17 . 1 1 49 49 ASN N N 49 113.642 113.642 114.658 -1.016 19657 5134 1 17 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.753 -0.288 19657 5135 1 17 . 1 1 49 49 ASN C C 49 172.356 172.356 174.858 -2.502 19657 5136 1 17 . 1 1 49 49 ASN CA C 49 49.231 49.231 53.173 -3.942 19657 5137 1 17 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.895 -4.411 19657 5138 1 17 . 1 1 49 49 ASN H H 49 7.460 7.460 8.118 -0.658 19657 5139 1 17 . 1 1 50 50 ASN N N 50 117.167 117.167 117.436 -0.269 19657 5140 1 17 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.468 -0.278 19657 5141 1 17 . 1 1 50 50 ASN C C 50 170.581 170.581 173.493 -2.912 19657 5142 1 17 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.324 -2.661 19657 5143 1 17 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.191 -2.989 19657 5144 1 17 . 1 1 50 50 ASN H H 50 7.886 7.886 7.978 -0.092 19657 5145 1 17 . 1 1 51 51 ALA N N 51 121.083 121.083 120.497 0.586 19657 5146 1 17 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.472 -0.040 19657 5147 1 17 . 1 1 51 51 ALA C C 51 174.002 174.002 175.795 -1.793 19657 5148 1 17 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.507 -1.903 19657 5149 1 17 . 1 1 51 51 ALA CB C 51 17.688 17.688 20.306 -2.618 19657 5150 1 17 . 1 1 51 51 ALA H H 51 7.843 7.843 7.609 0.234 19657 5151 1 17 . 1 1 52 52 VAL N N 52 125.592 125.592 123.589 2.003 19657 5152 1 17 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.116 -0.217 19657 5153 1 17 . 1 1 52 52 VAL C C 52 171.449 171.449 174.355 -2.906 19657 5154 1 17 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.235 -2.341 19657 5155 1 17 . 1 1 52 52 VAL CB C 52 32.369 32.369 34.737 -2.368 19657 5156 1 17 . 1 1 52 52 VAL H H 52 8.241 8.241 8.428 -0.187 19657 5157 1 17 . 1 1 53 53 ASP N N 53 125.731 125.731 128.095 -2.364 19657 5158 1 17 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.900 0.023 19657 5159 1 17 . 1 1 53 53 ASP C C 53 172.314 172.314 174.115 -1.801 19657 5160 1 17 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.806 -3.475 19657 5161 1 17 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.936 -4.174 19657 5162 1 17 . 1 1 53 53 ASP H H 53 8.613 8.613 8.568 0.045 19657 5163 1 17 . 1 1 54 54 CYS N N 54 122.864 122.864 125.583 -2.719 19657 5164 1 17 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.640 -0.006 19657 5165 1 17 . 1 1 54 54 CYS C C 54 167.690 167.690 173.885 -6.195 19657 5166 1 17 . 1 1 54 54 CYS CA C 54 51.047 51.047 58.302 -7.255 19657 5167 1 17 . 1 1 54 54 CYS CB C 54 41.549 41.549 26.860 14.688 19657 5168 1 17 . 1 1 54 54 CYS H H 54 8.627 8.627 8.978 -0.351 19657 5169 1 18 . 1 1 2 2 LYS N N 2 119.803 119.803 118.142 1.661 19657 5170 1 18 . 1 1 2 2 LYS HA H 2 5.249 5.249 5.197 0.052 19657 5171 1 18 . 1 1 2 2 LYS C C 2 172.912 172.912 175.358 -2.446 19657 5172 1 18 . 1 1 2 2 LYS CA C 2 52.189 52.189 54.541 -2.353 19657 5173 1 18 . 1 1 2 2 LYS CB C 2 31.708 31.708 34.774 -3.066 19657 5174 1 18 . 1 1 2 2 LYS H H 2 8.180 8.180 7.456 0.724 19657 5175 1 18 . 1 1 3 3 TYR N N 3 122.744 122.744 120.102 2.642 19657 5176 1 18 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.779 0.017 19657 5177 1 18 . 1 1 3 3 TYR C C 3 172.523 172.523 175.177 -2.654 19657 5178 1 18 . 1 1 3 3 TYR CA C 3 53.741 53.741 57.116 -3.375 19657 5179 1 18 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.828 -1.138 19657 5180 1 18 . 1 1 3 3 TYR H H 3 8.951 8.951 8.880 0.071 19657 5181 1 18 . 1 1 4 4 THR N N 4 117.010 117.010 120.035 -3.025 19657 5182 1 18 . 1 1 4 4 THR HA H 4 5.012 5.012 4.641 0.371 19657 5183 1 18 . 1 1 4 4 THR C C 4 171.489 171.489 174.269 -2.780 19657 5184 1 18 . 1 1 4 4 THR CA C 4 58.808 58.808 61.779 -2.971 19657 5185 1 18 . 1 1 4 4 THR CB C 4 67.837 67.837 69.750 -1.913 19657 5186 1 18 . 1 1 4 4 THR H H 4 8.870 8.870 8.610 0.260 19657 5187 1 18 . 1 1 5 5 GLY N N 5 115.340 115.340 112.884 2.456 19657 5188 1 18 . 1 1 5 5 GLY C C 5 171.505 171.505 172.124 -0.619 19657 5189 1 18 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.513 -2.447 19657 5190 1 18 . 1 1 5 5 GLY H H 5 9.116 9.116 7.876 1.240 19657 5191 1 18 . 1 1 6 6 LYS N N 6 121.120 121.120 119.282 1.838 19657 5192 1 18 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.268 0.121 19657 5193 1 18 . 1 1 6 6 LYS C C 6 174.162 174.162 175.741 -1.579 19657 5194 1 18 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.848 -3.204 19657 5195 1 18 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.255 -1.258 19657 5196 1 18 . 1 1 6 6 LYS H H 6 8.408 8.408 8.164 0.244 19657 5197 1 18 . 1 1 7 7 CYS N N 7 122.530 122.530 118.741 3.789 19657 5198 1 18 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.658 0.674 19657 5199 1 18 . 1 1 7 7 CYS C C 7 169.635 169.635 173.731 -4.096 19657 5200 1 18 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.522 -5.112 19657 5201 1 18 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.346 11.299 19657 5202 1 18 . 1 1 7 7 CYS H H 7 9.795 9.795 8.687 1.108 19657 5203 1 18 . 1 1 8 8 THR N N 8 112.909 112.909 113.102 -0.193 19657 5204 1 18 . 1 1 8 8 THR HA H 8 4.690 4.690 4.725 -0.035 19657 5205 1 18 . 1 1 8 8 THR C C 8 172.048 172.048 174.893 -2.845 19657 5206 1 18 . 1 1 8 8 THR CA C 8 57.291 57.291 60.177 -2.886 19657 5207 1 18 . 1 1 8 8 THR CB C 8 68.608 68.608 71.474 -2.865 19657 5208 1 18 . 1 1 8 8 THR H H 8 8.630 8.630 8.056 0.574 19657 5209 1 18 . 1 1 9 9 LYS N N 9 127.151 127.151 124.377 2.774 19657 5210 1 18 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.115 -0.557 19657 5211 1 18 . 1 1 9 9 LYS C C 9 176.697 176.697 176.556 0.141 19657 5212 1 18 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.298 -1.102 19657 5213 1 18 . 1 1 9 9 LYS CB C 9 31.079 31.079 32.324 -1.244 19657 5214 1 18 . 1 1 9 9 LYS H H 9 8.916 8.916 8.703 0.213 19657 5215 1 18 . 1 1 10 10 SER N N 10 116.323 116.323 114.525 1.798 19657 5216 1 18 . 1 1 10 10 SER C C 10 176.174 176.174 175.398 0.776 19657 5217 1 18 . 1 1 10 10 SER CA C 10 59.045 59.045 60.409 -1.364 19657 5218 1 18 . 1 1 10 10 SER H H 10 9.391 9.391 8.060 1.331 19657 5219 1 18 . 1 1 11 11 LYS N N 11 116.908 116.908 120.665 -3.757 19657 5220 1 18 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.323 -0.172 19657 5221 1 18 . 1 1 11 11 LYS C C 11 173.027 173.027 176.566 -3.539 19657 5222 1 18 . 1 1 11 11 LYS CA C 11 53.362 53.362 55.880 -2.518 19657 5223 1 18 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.607 -2.057 19657 5224 1 18 . 1 1 11 11 LYS H H 11 7.079 7.079 7.972 -0.893 19657 5225 1 18 . 1 1 12 12 ASN N N 12 120.313 120.313 117.598 2.715 19657 5226 1 18 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.506 0.079 19657 5227 1 18 . 1 1 12 12 ASN C C 12 171.411 171.411 173.346 -1.935 19657 5228 1 18 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.371 -3.497 19657 5229 1 18 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.335 -2.852 19657 5230 1 18 . 1 1 12 12 ASN H H 12 7.589 7.589 7.988 -0.399 19657 5231 1 18 . 1 1 13 13 GLU N N 13 114.653 114.653 117.281 -2.628 19657 5232 1 18 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.743 0.131 19657 5233 1 18 . 1 1 13 13 GLU C C 13 170.929 170.929 174.574 -3.645 19657 5234 1 18 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.813 -2.784 19657 5235 1 18 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.105 0.668 19657 5236 1 18 . 1 1 13 13 GLU H H 13 7.237 7.237 7.841 -0.604 19657 5237 1 18 . 1 1 14 14 CYS N N 14 123.273 123.273 124.399 -1.126 19657 5238 1 18 . 1 1 14 14 CYS HA H 14 4.632 4.632 5.016 -0.384 19657 5239 1 18 . 1 1 14 14 CYS C C 14 168.900 168.900 173.376 -4.476 19657 5240 1 18 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.166 -6.052 19657 5241 1 18 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.520 9.022 19657 5242 1 18 . 1 1 14 14 CYS H H 14 9.637 9.637 9.047 0.590 19657 5243 1 18 . 1 1 15 15 LYS N N 15 111.712 111.712 124.641 -12.929 19657 5244 1 18 . 1 1 15 15 LYS HA H 15 4.928 4.928 4.864 0.064 19657 5245 1 18 . 1 1 15 15 LYS C C 15 172.655 172.655 174.431 -1.776 19657 5246 1 18 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.497 -4.062 19657 5247 1 18 . 1 1 15 15 LYS CB C 15 31.472 31.472 35.325 -3.853 19657 5248 1 18 . 1 1 15 15 LYS H H 15 8.620 8.620 8.629 -0.009 19657 5249 1 18 . 1 1 16 16 TYR N N 16 126.641 126.641 122.275 4.366 19657 5250 1 18 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.014 -0.109 19657 5251 1 18 . 1 1 16 16 TYR C C 16 168.924 168.924 173.157 -4.233 19657 5252 1 18 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.635 -3.542 19657 5253 1 18 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.564 -3.085 19657 5254 1 18 . 1 1 16 16 TYR H H 16 8.993 8.993 8.885 0.108 19657 5255 1 18 . 1 1 17 17 LYS N N 17 120.730 120.730 121.683 -0.953 19657 5256 1 18 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.983 -0.569 19657 5257 1 18 . 1 1 17 17 LYS C C 17 173.386 173.386 176.140 -2.754 19657 5258 1 18 . 1 1 17 17 LYS CA C 17 51.694 51.694 54.790 -3.096 19657 5259 1 18 . 1 1 17 17 LYS CB C 17 30.894 30.894 34.693 -3.799 19657 5260 1 18 . 1 1 17 17 LYS H H 17 8.414 8.414 8.797 -0.383 19657 5261 1 18 . 1 1 18 18 ASN N N 18 122.104 122.104 122.642 -0.538 19657 5262 1 18 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.517 -0.421 19657 5263 1 18 . 1 1 18 18 ASN C C 18 173.990 173.990 177.129 -3.139 19657 5264 1 18 . 1 1 18 18 ASN CA C 18 48.158 48.158 52.018 -3.860 19657 5265 1 18 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.162 -4.019 19657 5266 1 18 . 1 1 18 18 ASN H H 18 7.729 7.729 8.069 -0.340 19657 5267 1 18 . 1 1 19 19 ASP N N 19 117.316 117.316 118.926 -1.610 19657 5268 1 18 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.443 -0.070 19657 5269 1 18 . 1 1 19 19 ASP C C 19 173.929 173.929 176.697 -2.768 19657 5270 1 18 . 1 1 19 19 ASP CA C 19 54.265 54.265 57.141 -2.876 19657 5271 1 18 . 1 1 19 19 ASP CB C 19 37.359 37.359 39.874 -2.515 19657 5272 1 18 . 1 1 19 19 ASP H H 19 8.231 8.231 9.069 -0.838 19657 5273 1 18 . 1 1 20 20 ALA N N 20 120.814 120.814 121.950 -1.136 19657 5274 1 18 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.269 0.126 19657 5275 1 18 . 1 1 20 20 ALA C C 20 174.854 174.854 178.246 -3.392 19657 5276 1 18 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.380 -3.615 19657 5277 1 18 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.073 -3.060 19657 5278 1 18 . 1 1 20 20 ALA H H 20 7.413 7.413 7.914 -0.501 19657 5279 1 18 . 1 1 21 21 GLY N N 21 126.585 126.585 106.395 20.190 19657 5280 1 18 . 1 1 21 21 GLY C C 21 171.015 171.015 174.552 -3.537 19657 5281 1 18 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.070 -2.243 19657 5282 1 18 . 1 1 21 21 GLY H H 21 8.162 8.162 8.294 -0.132 19657 5283 1 18 . 1 1 22 22 LYS N N 22 120.322 120.322 121.481 -1.159 19657 5284 1 18 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.196 0.121 19657 5285 1 18 . 1 1 22 22 LYS C C 22 174.076 174.076 174.901 -0.825 19657 5286 1 18 . 1 1 22 22 LYS CA C 22 51.436 51.436 56.220 -4.784 19657 5287 1 18 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.461 -2.885 19657 5288 1 18 . 1 1 22 22 LYS H H 22 7.676 7.676 7.633 0.043 19657 5289 1 18 . 1 1 23 23 ASP N N 23 126.455 126.455 121.379 5.076 19657 5290 1 18 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.604 -0.342 19657 5291 1 18 . 1 1 23 23 ASP C C 23 172.391 172.391 175.804 -3.413 19657 5292 1 18 . 1 1 23 23 ASP CA C 23 52.973 52.973 54.980 -2.007 19657 5293 1 18 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.608 -3.486 19657 5294 1 18 . 1 1 23 23 ASP H H 23 8.619 8.619 8.515 0.104 19657 5295 1 18 . 1 1 24 24 THR N N 24 122.762 122.762 121.636 1.126 19657 5296 1 18 . 1 1 24 24 THR HA H 24 4.009 4.009 4.383 -0.374 19657 5297 1 18 . 1 1 24 24 THR C C 24 167.562 167.562 172.998 -5.436 19657 5298 1 18 . 1 1 24 24 THR CA C 24 59.223 59.223 61.135 -1.912 19657 5299 1 18 . 1 1 24 24 THR CB C 24 67.985 67.985 69.272 -1.286 19657 5300 1 18 . 1 1 24 24 THR H H 24 8.773 8.773 8.771 0.002 19657 5301 1 18 . 1 1 25 25 PHE N N 25 122.224 122.224 124.490 -2.266 19657 5302 1 18 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.315 0.067 19657 5303 1 18 . 1 1 25 25 PHE C C 25 172.781 172.781 173.930 -1.149 19657 5304 1 18 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.367 -1.770 19657 5305 1 18 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.393 -2.148 19657 5306 1 18 . 1 1 25 25 PHE H H 25 8.314 8.314 7.835 0.479 19657 5307 1 18 . 1 1 26 26 ILE N N 26 123.050 123.050 123.048 0.002 19657 5308 1 18 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.600 0.016 19657 5309 1 18 . 1 1 26 26 ILE C C 26 170.373 170.373 174.037 -3.664 19657 5310 1 18 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.299 -2.455 19657 5311 1 18 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.399 -2.924 19657 5312 1 18 . 1 1 26 26 ILE H H 26 9.093 9.093 8.920 0.173 19657 5313 1 18 . 1 1 27 27 LYS N N 27 126.928 126.928 126.005 0.923 19657 5314 1 18 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.358 -0.167 19657 5315 1 18 . 1 1 27 27 LYS C C 27 174.551 174.551 175.776 -1.225 19657 5316 1 18 . 1 1 27 27 LYS CA C 27 55.166 55.166 56.718 -1.552 19657 5317 1 18 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.763 -3.183 19657 5318 1 18 . 1 1 27 27 LYS H H 27 8.309 8.309 8.427 -0.118 19657 5319 1 18 . 1 1 28 28 CYS N N 28 119.357 119.357 124.074 -4.717 19657 5320 1 18 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.986 -0.414 19657 5321 1 18 . 1 1 28 28 CYS C C 28 169.287 169.287 173.013 -3.726 19657 5322 1 18 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.322 -4.781 19657 5323 1 18 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.890 9.697 19657 5324 1 18 . 1 1 28 28 CYS H H 28 8.414 8.414 8.513 -0.099 19657 5325 1 18 . 1 1 30 30 LYS N N 30 116.481 116.481 118.914 -2.433 19657 5326 1 18 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.345 -0.389 19657 5327 1 18 . 1 1 30 30 LYS C C 30 173.819 173.819 176.356 -2.537 19657 5328 1 18 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.417 -2.920 19657 5329 1 18 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.510 -2.420 19657 5330 1 18 . 1 1 30 30 LYS H H 30 8.004 8.004 8.650 -0.646 19657 5331 1 18 . 1 1 31 31 PHE N N 31 116.963 116.963 119.144 -2.181 19657 5332 1 18 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.548 -0.071 19657 5333 1 18 . 1 1 31 31 PHE C C 31 173.518 173.518 176.839 -3.321 19657 5334 1 18 . 1 1 31 31 PHE CA C 31 54.044 54.044 57.607 -3.563 19657 5335 1 18 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.229 -2.586 19657 5336 1 18 . 1 1 31 31 PHE H H 31 6.424 6.424 7.886 -1.462 19657 5337 1 18 . 1 1 32 32 ASP N N 32 121.612 121.612 120.400 1.212 19657 5338 1 18 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.476 -0.340 19657 5339 1 18 . 1 1 32 32 ASP C C 32 173.688 173.688 177.665 -3.977 19657 5340 1 18 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.963 -2.170 19657 5341 1 18 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.720 -2.828 19657 5342 1 18 . 1 1 32 32 ASP H H 32 8.800 8.800 8.703 0.097 19657 5343 1 18 . 1 1 33 33 ASN N N 33 113.168 113.168 117.071 -3.903 19657 5344 1 18 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.606 -0.043 19657 5345 1 18 . 1 1 33 33 ASN C C 33 172.656 172.656 175.388 -2.732 19657 5346 1 18 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.495 -3.133 19657 5347 1 18 . 1 1 33 33 ASN CB C 33 34.754 34.754 38.593 -3.839 19657 5348 1 18 . 1 1 33 33 ASN H H 33 8.455 8.455 8.793 -0.338 19657 5349 1 18 . 1 1 34 34 LYS N N 34 117.622 117.622 118.863 -1.241 19657 5350 1 18 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.527 0.337 19657 5351 1 18 . 1 1 34 34 LYS C C 34 171.666 171.666 173.918 -2.252 19657 5352 1 18 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.427 -4.279 19657 5353 1 18 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.547 -2.735 19657 5354 1 18 . 1 1 34 34 LYS H H 34 7.676 7.676 7.560 0.116 19657 5355 1 18 . 1 1 35 35 LYS N N 35 116.880 116.880 118.371 -1.491 19657 5356 1 18 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.678 -0.179 19657 5357 1 18 . 1 1 35 35 LYS C C 35 172.133 172.133 173.845 -1.712 19657 5358 1 18 . 1 1 35 35 LYS CA C 35 52.155 52.155 55.017 -2.862 19657 5359 1 18 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.554 -4.779 19657 5360 1 18 . 1 1 35 35 LYS H H 35 6.927 6.927 7.784 -0.857 19657 5361 1 18 . 1 1 36 36 CYS N N 36 117.678 117.678 119.098 -1.420 19657 5362 1 18 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.737 -0.050 19657 5363 1 18 . 1 1 36 36 CYS C C 36 174.909 174.909 175.584 -0.675 19657 5364 1 18 . 1 1 36 36 CYS CA C 36 53.356 53.356 58.718 -5.362 19657 5365 1 18 . 1 1 36 36 CYS CB C 36 38.703 38.703 27.877 10.826 19657 5366 1 18 . 1 1 36 36 CYS H H 36 8.572 8.572 8.809 -0.237 19657 5367 1 18 . 1 1 37 37 THR N N 37 121.872 121.872 118.882 2.990 19657 5368 1 18 . 1 1 37 37 THR HA H 37 4.219 4.219 4.376 -0.157 19657 5369 1 18 . 1 1 37 37 THR C C 37 172.565 172.565 173.935 -1.370 19657 5370 1 18 . 1 1 37 37 THR CA C 37 60.478 60.478 62.887 -2.409 19657 5371 1 18 . 1 1 37 37 THR CB C 37 68.235 68.235 69.024 -0.789 19657 5372 1 18 . 1 1 37 37 THR H H 37 10.105 10.105 8.698 1.407 19657 5373 1 18 . 1 1 38 38 LYS N N 38 122.020 122.020 120.464 1.556 19657 5374 1 18 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.534 -0.379 19657 5375 1 18 . 1 1 38 38 LYS C C 38 170.713 170.713 174.393 -3.680 19657 5376 1 18 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.772 -0.907 19657 5377 1 18 . 1 1 38 38 LYS CB C 38 32.499 32.499 36.028 -3.529 19657 5378 1 18 . 1 1 38 38 LYS H H 38 7.258 7.258 7.589 -0.331 19657 5379 1 18 . 1 1 39 39 ASP N N 39 124.776 124.776 121.083 3.693 19657 5380 1 18 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.626 -0.049 19657 5381 1 18 . 1 1 39 39 ASP C C 39 175.068 175.068 176.448 -1.380 19657 5382 1 18 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.118 -0.085 19657 5383 1 18 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.132 -3.678 19657 5384 1 18 . 1 1 39 39 ASP H H 39 8.783 8.783 8.496 0.287 19657 5385 1 18 . 1 1 40 40 ASN N N 40 114.764 114.764 113.119 1.645 19657 5386 1 18 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.166 0.096 19657 5387 1 18 . 1 1 40 40 ASN C C 40 171.530 171.530 175.106 -3.576 19657 5388 1 18 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.204 -1.229 19657 5389 1 18 . 1 1 40 40 ASN CB C 40 34.180 34.180 37.217 -3.037 19657 5390 1 18 . 1 1 40 40 ASN H H 40 9.467 9.467 8.548 0.919 19657 5391 1 18 . 1 1 41 41 ASN N N 41 120.183 120.183 118.618 1.565 19657 5392 1 18 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.529 0.146 19657 5393 1 18 . 1 1 41 41 ASN C C 41 171.964 171.964 174.947 -2.983 19657 5394 1 18 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.512 -5.144 19657 5395 1 18 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.837 -3.438 19657 5396 1 18 . 1 1 41 41 ASN H H 41 7.729 7.729 8.135 -0.406 19657 5397 1 18 . 1 1 42 42 LYS N N 42 119.700 119.700 117.806 1.894 19657 5398 1 18 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.161 -0.806 19657 5399 1 18 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.150 -0.600 19657 5400 1 18 . 1 1 42 42 LYS CB C 42 30.627 30.627 36.051 -5.424 19657 5401 1 18 . 1 1 42 42 LYS H H 42 8.496 8.496 8.208 0.288 19657 5402 1 18 . 1 1 43 43 CYS N N 43 113.920 113.920 117.973 -4.053 19657 5403 1 18 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.551 -0.207 19657 5404 1 18 . 1 1 43 43 CYS C C 43 169.725 169.725 174.072 -4.347 19657 5405 1 18 . 1 1 43 43 CYS CA C 43 50.891 50.891 57.119 -6.228 19657 5406 1 18 . 1 1 43 43 CYS H H 43 7.542 7.542 9.192 -1.650 19657 5407 1 18 . 1 1 44 44 THR N N 44 113.141 113.141 115.132 -1.991 19657 5408 1 18 . 1 1 44 44 THR HA H 44 5.229 5.229 5.101 0.129 19657 5409 1 18 . 1 1 44 44 THR C C 44 169.993 169.993 173.048 -3.055 19657 5410 1 18 . 1 1 44 44 THR CA C 44 57.308 57.308 61.259 -3.951 19657 5411 1 18 . 1 1 44 44 THR CB C 44 69.607 69.607 71.567 -1.960 19657 5412 1 18 . 1 1 44 44 THR H H 44 8.987 8.987 8.863 0.124 19657 5413 1 18 . 1 1 45 45 VAL N N 45 121.909 121.909 123.079 -1.170 19657 5414 1 18 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.913 -0.426 19657 5415 1 18 . 1 1 45 45 VAL C C 45 171.182 171.182 173.910 -2.728 19657 5416 1 18 . 1 1 45 45 VAL CA C 45 58.069 58.069 60.744 -2.675 19657 5417 1 18 . 1 1 45 45 VAL CB C 45 33.384 33.384 34.491 -1.107 19657 5418 1 18 . 1 1 45 45 VAL H H 45 8.571 8.571 8.237 0.334 19657 5419 1 18 . 1 1 46 46 ASP N N 46 126.446 126.446 126.718 -0.272 19657 5420 1 18 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.417 -0.090 19657 5421 1 18 . 1 1 46 46 ASP C C 46 175.630 175.630 176.767 -1.137 19657 5422 1 18 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.637 -3.382 19657 5423 1 18 . 1 1 46 46 ASP CB C 46 40.051 40.051 45.096 -5.045 19657 5424 1 18 . 1 1 46 46 ASP H H 46 8.566 8.566 8.576 -0.010 19657 5425 1 18 . 1 1 47 47 THR N N 47 114.273 114.273 119.828 -5.555 19657 5426 1 18 . 1 1 47 47 THR HA H 47 4.185 4.185 4.412 -0.227 19657 5427 1 18 . 1 1 47 47 THR C C 47 173.322 173.322 175.340 -2.018 19657 5428 1 18 . 1 1 47 47 THR CA C 47 60.559 60.559 64.347 -3.788 19657 5429 1 18 . 1 1 47 47 THR CB C 47 66.582 66.582 69.185 -2.603 19657 5430 1 18 . 1 1 47 47 THR H H 47 9.087 9.087 8.369 0.718 19657 5431 1 18 . 1 1 48 48 TYR N N 48 123.848 123.848 121.477 2.371 19657 5432 1 18 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.360 0.033 19657 5433 1 18 . 1 1 48 48 TYR C C 48 173.776 173.776 176.360 -2.584 19657 5434 1 18 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.900 -3.281 19657 5435 1 18 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.999 -3.182 19657 5436 1 18 . 1 1 48 48 TYR H H 48 8.818 8.818 8.220 0.598 19657 5437 1 18 . 1 1 49 49 ASN N N 49 113.642 113.642 114.227 -0.585 19657 5438 1 18 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.677 -0.212 19657 5439 1 18 . 1 1 49 49 ASN C C 49 172.356 172.356 174.741 -2.385 19657 5440 1 18 . 1 1 49 49 ASN CA C 49 49.231 49.231 52.816 -3.585 19657 5441 1 18 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.607 -4.123 19657 5442 1 18 . 1 1 49 49 ASN H H 49 7.460 7.460 8.203 -0.743 19657 5443 1 18 . 1 1 50 50 ASN N N 50 117.167 117.167 117.400 -0.233 19657 5444 1 18 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.434 -0.244 19657 5445 1 18 . 1 1 50 50 ASN C C 50 170.581 170.581 173.378 -2.797 19657 5446 1 18 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.277 -2.614 19657 5447 1 18 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.292 -3.090 19657 5448 1 18 . 1 1 50 50 ASN H H 50 7.886 7.886 8.090 -0.204 19657 5449 1 18 . 1 1 51 51 ALA N N 51 121.083 121.083 120.748 0.335 19657 5450 1 18 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.544 -0.112 19657 5451 1 18 . 1 1 51 51 ALA C C 51 174.002 174.002 175.698 -1.696 19657 5452 1 18 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.654 -2.051 19657 5453 1 18 . 1 1 51 51 ALA CB C 51 17.688 17.688 21.376 -3.688 19657 5454 1 18 . 1 1 51 51 ALA H H 51 7.843 7.843 7.422 0.421 19657 5455 1 18 . 1 1 52 52 VAL N N 52 125.592 125.592 121.274 4.318 19657 5456 1 18 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.104 -0.205 19657 5457 1 18 . 1 1 52 52 VAL C C 52 171.449 171.449 175.033 -3.584 19657 5458 1 18 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.891 -2.997 19657 5459 1 18 . 1 1 52 52 VAL CB C 52 32.369 32.369 35.027 -2.658 19657 5460 1 18 . 1 1 52 52 VAL H H 52 8.241 8.241 8.321 -0.080 19657 5461 1 18 . 1 1 53 53 ASP N N 53 125.731 125.731 127.767 -2.036 19657 5462 1 18 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.954 -0.031 19657 5463 1 18 . 1 1 53 53 ASP C C 53 172.314 172.314 174.547 -2.233 19657 5464 1 18 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.309 -2.978 19657 5465 1 18 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.254 -3.492 19657 5466 1 18 . 1 1 53 53 ASP H H 53 8.613 8.613 8.939 -0.326 19657 5467 1 18 . 1 1 54 54 CYS N N 54 122.864 122.864 121.339 1.525 19657 5468 1 18 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.967 -0.333 19657 5469 1 18 . 1 1 54 54 CYS C C 54 167.690 167.690 173.996 -6.306 19657 5470 1 18 . 1 1 54 54 CYS CA C 54 51.047 51.047 55.794 -4.747 19657 5471 1 18 . 1 1 54 54 CYS CB C 54 41.549 41.549 31.179 10.370 19657 5472 1 18 . 1 1 54 54 CYS H H 54 8.627 8.627 8.767 -0.140 19657 5473 1 19 . 1 1 2 2 LYS N N 2 119.803 119.803 120.193 -0.390 19657 5474 1 19 . 1 1 2 2 LYS HA H 2 5.249 5.249 5.032 0.217 19657 5475 1 19 . 1 1 2 2 LYS C C 2 172.912 172.912 175.587 -2.675 19657 5476 1 19 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.240 -3.051 19657 5477 1 19 . 1 1 2 2 LYS CB C 2 31.708 31.708 32.567 -0.859 19657 5478 1 19 . 1 1 2 2 LYS H H 2 8.180 8.180 7.556 0.624 19657 5479 1 19 . 1 1 3 3 TYR N N 3 122.744 122.744 125.487 -2.743 19657 5480 1 19 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.740 0.056 19657 5481 1 19 . 1 1 3 3 TYR C C 3 172.523 172.523 175.058 -2.535 19657 5482 1 19 . 1 1 3 3 TYR CA C 3 53.741 53.741 57.337 -3.596 19657 5483 1 19 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.937 -1.247 19657 5484 1 19 . 1 1 3 3 TYR H H 3 8.951 8.951 8.232 0.719 19657 5485 1 19 . 1 1 4 4 THR N N 4 117.010 117.010 120.439 -3.429 19657 5486 1 19 . 1 1 4 4 THR HA H 4 5.012 5.012 4.699 0.313 19657 5487 1 19 . 1 1 4 4 THR C C 4 171.489 171.489 174.363 -2.874 19657 5488 1 19 . 1 1 4 4 THR CA C 4 58.808 58.808 62.052 -3.244 19657 5489 1 19 . 1 1 4 4 THR CB C 4 67.837 67.837 69.939 -2.102 19657 5490 1 19 . 1 1 4 4 THR H H 4 8.870 8.870 8.681 0.189 19657 5491 1 19 . 1 1 5 5 GLY N N 5 115.340 115.340 113.263 2.077 19657 5492 1 19 . 1 1 5 5 GLY C C 5 171.505 171.505 172.138 -0.633 19657 5493 1 19 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.473 -2.407 19657 5494 1 19 . 1 1 5 5 GLY H H 5 9.116 9.116 8.055 1.061 19657 5495 1 19 . 1 1 6 6 LYS N N 6 121.120 121.120 119.701 1.419 19657 5496 1 19 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.180 0.209 19657 5497 1 19 . 1 1 6 6 LYS C C 6 174.162 174.162 175.736 -1.574 19657 5498 1 19 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.923 -3.279 19657 5499 1 19 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.190 -1.193 19657 5500 1 19 . 1 1 6 6 LYS H H 6 8.408 8.408 8.020 0.388 19657 5501 1 19 . 1 1 7 7 CYS N N 7 122.530 122.530 118.460 4.070 19657 5502 1 19 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.670 0.662 19657 5503 1 19 . 1 1 7 7 CYS C C 7 169.635 169.635 173.894 -4.259 19657 5504 1 19 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.672 -5.262 19657 5505 1 19 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.526 11.119 19657 5506 1 19 . 1 1 7 7 CYS H H 7 9.795 9.795 7.941 1.854 19657 5507 1 19 . 1 1 8 8 THR N N 8 112.909 112.909 113.844 -0.935 19657 5508 1 19 . 1 1 8 8 THR HA H 8 4.690 4.690 4.686 0.004 19657 5509 1 19 . 1 1 8 8 THR C C 8 172.048 172.048 175.084 -3.036 19657 5510 1 19 . 1 1 8 8 THR CA C 8 57.291 57.291 59.490 -2.199 19657 5511 1 19 . 1 1 8 8 THR CB C 8 68.608 68.608 70.941 -2.333 19657 5512 1 19 . 1 1 8 8 THR H H 8 8.630 8.630 8.094 0.536 19657 5513 1 19 . 1 1 9 9 LYS N N 9 127.151 127.151 125.882 1.269 19657 5514 1 19 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.299 -0.741 19657 5515 1 19 . 1 1 9 9 LYS C C 9 176.697 176.697 177.100 -0.403 19657 5516 1 19 . 1 1 9 9 LYS CA C 9 57.196 57.196 57.780 -0.584 19657 5517 1 19 . 1 1 9 9 LYS CB C 9 31.079 31.079 32.405 -1.326 19657 5518 1 19 . 1 1 9 9 LYS H H 9 8.916 8.916 8.772 0.144 19657 5519 1 19 . 1 1 10 10 SER N N 10 116.323 116.323 115.209 1.114 19657 5520 1 19 . 1 1 10 10 SER C C 10 176.174 176.174 175.373 0.801 19657 5521 1 19 . 1 1 10 10 SER CA C 10 59.045 59.045 60.822 -1.777 19657 5522 1 19 . 1 1 10 10 SER H H 10 9.391 9.391 7.844 1.547 19657 5523 1 19 . 1 1 11 11 LYS N N 11 116.908 116.908 119.647 -2.739 19657 5524 1 19 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.426 -0.275 19657 5525 1 19 . 1 1 11 11 LYS C C 11 173.027 173.027 176.177 -3.150 19657 5526 1 19 . 1 1 11 11 LYS CA C 11 53.362 53.362 55.043 -1.681 19657 5527 1 19 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.919 -2.369 19657 5528 1 19 . 1 1 11 11 LYS H H 11 7.079 7.079 7.684 -0.605 19657 5529 1 19 . 1 1 12 12 ASN N N 12 120.313 120.313 117.547 2.766 19657 5530 1 19 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.570 0.015 19657 5531 1 19 . 1 1 12 12 ASN C C 12 171.411 171.411 173.103 -1.692 19657 5532 1 19 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.225 -3.352 19657 5533 1 19 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.106 -2.623 19657 5534 1 19 . 1 1 12 12 ASN H H 12 7.589 7.589 7.736 -0.147 19657 5535 1 19 . 1 1 13 13 GLU N N 13 114.653 114.653 114.621 0.032 19657 5536 1 19 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.888 -0.014 19657 5537 1 19 . 1 1 13 13 GLU C C 13 170.929 170.929 174.760 -3.831 19657 5538 1 19 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.322 -2.292 19657 5539 1 19 . 1 1 13 13 GLU CB C 13 33.773 33.773 32.977 0.796 19657 5540 1 19 . 1 1 13 13 GLU H H 13 7.237 7.237 7.615 -0.378 19657 5541 1 19 . 1 1 14 14 CYS N N 14 123.273 123.273 122.601 0.672 19657 5542 1 19 . 1 1 14 14 CYS HA H 14 4.632 4.632 5.001 -0.369 19657 5543 1 19 . 1 1 14 14 CYS C C 14 168.900 168.900 173.447 -4.547 19657 5544 1 19 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.817 -6.703 19657 5545 1 19 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.229 9.313 19657 5546 1 19 . 1 1 14 14 CYS H H 14 9.637 9.637 9.020 0.617 19657 5547 1 19 . 1 1 15 15 LYS N N 15 111.712 111.712 122.096 -10.384 19657 5548 1 19 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.377 -0.449 19657 5549 1 19 . 1 1 15 15 LYS C C 15 172.655 172.655 174.633 -1.978 19657 5550 1 19 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.102 -3.667 19657 5551 1 19 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.336 -2.864 19657 5552 1 19 . 1 1 15 15 LYS H H 15 8.620 8.620 8.413 0.207 19657 5553 1 19 . 1 1 16 16 TYR N N 16 126.641 126.641 119.660 6.981 19657 5554 1 19 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.050 -0.145 19657 5555 1 19 . 1 1 16 16 TYR C C 16 168.924 168.924 173.852 -4.928 19657 5556 1 19 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.159 -3.066 19657 5557 1 19 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.872 -3.393 19657 5558 1 19 . 1 1 16 16 TYR H H 16 8.993 8.993 8.737 0.256 19657 5559 1 19 . 1 1 17 17 LYS N N 17 120.730 120.730 122.297 -1.567 19657 5560 1 19 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.807 -0.393 19657 5561 1 19 . 1 1 17 17 LYS C C 17 173.386 173.386 176.353 -2.967 19657 5562 1 19 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.079 -3.385 19657 5563 1 19 . 1 1 17 17 LYS CB C 17 30.894 30.894 33.767 -2.873 19657 5564 1 19 . 1 1 17 17 LYS H H 17 8.414 8.414 8.772 -0.358 19657 5565 1 19 . 1 1 18 18 ASN N N 18 122.104 122.104 124.428 -2.324 19657 5566 1 19 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.415 -0.319 19657 5567 1 19 . 1 1 18 18 ASN C C 18 173.990 173.990 176.409 -2.419 19657 5568 1 19 . 1 1 18 18 ASN CA C 18 48.158 48.158 51.460 -3.302 19657 5569 1 19 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.087 -3.943 19657 5570 1 19 . 1 1 18 18 ASN H H 18 7.729 7.729 8.075 -0.346 19657 5571 1 19 . 1 1 19 19 ASP N N 19 117.316 117.316 119.971 -2.655 19657 5572 1 19 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.442 -0.069 19657 5573 1 19 . 1 1 19 19 ASP C C 19 173.929 173.929 177.017 -3.088 19657 5574 1 19 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.912 -2.647 19657 5575 1 19 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.525 -3.166 19657 5576 1 19 . 1 1 19 19 ASP H H 19 8.231 8.231 8.811 -0.580 19657 5577 1 19 . 1 1 20 20 ALA N N 20 120.814 120.814 120.168 0.646 19657 5578 1 19 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.321 0.074 19657 5579 1 19 . 1 1 20 20 ALA C C 20 174.854 174.854 178.184 -3.330 19657 5580 1 19 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.534 -3.769 19657 5581 1 19 . 1 1 20 20 ALA CB C 20 16.013 16.013 18.868 -2.855 19657 5582 1 19 . 1 1 20 20 ALA H H 20 7.413 7.413 8.072 -0.659 19657 5583 1 19 . 1 1 21 21 GLY N N 21 126.585 126.585 105.893 20.692 19657 5584 1 19 . 1 1 21 21 GLY C C 21 171.015 171.015 174.328 -3.313 19657 5585 1 19 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.104 -2.277 19657 5586 1 19 . 1 1 21 21 GLY H H 21 8.162 8.162 8.374 -0.212 19657 5587 1 19 . 1 1 22 22 LYS N N 22 120.322 120.322 121.686 -1.364 19657 5588 1 19 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.221 0.096 19657 5589 1 19 . 1 1 22 22 LYS C C 22 174.076 174.076 174.754 -0.678 19657 5590 1 19 . 1 1 22 22 LYS CA C 22 51.436 51.436 56.257 -4.821 19657 5591 1 19 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.497 -2.921 19657 5592 1 19 . 1 1 22 22 LYS H H 22 7.676 7.676 7.613 0.063 19657 5593 1 19 . 1 1 23 23 ASP N N 23 126.455 126.455 122.119 4.336 19657 5594 1 19 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.854 -0.592 19657 5595 1 19 . 1 1 23 23 ASP C C 23 172.391 172.391 175.992 -3.601 19657 5596 1 19 . 1 1 23 23 ASP CA C 23 52.973 52.973 54.797 -1.824 19657 5597 1 19 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.733 -3.611 19657 5598 1 19 . 1 1 23 23 ASP H H 23 8.619 8.619 8.529 0.090 19657 5599 1 19 . 1 1 24 24 THR N N 24 122.762 122.762 121.045 1.717 19657 5600 1 19 . 1 1 24 24 THR HA H 24 4.009 4.009 4.515 -0.506 19657 5601 1 19 . 1 1 24 24 THR C C 24 167.562 167.562 172.976 -5.414 19657 5602 1 19 . 1 1 24 24 THR CA C 24 59.223 59.223 61.046 -1.823 19657 5603 1 19 . 1 1 24 24 THR CB C 24 67.985 67.985 69.718 -1.733 19657 5604 1 19 . 1 1 24 24 THR H H 24 8.773 8.773 8.739 0.035 19657 5605 1 19 . 1 1 25 25 PHE N N 25 122.224 122.224 124.387 -2.163 19657 5606 1 19 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.524 -0.142 19657 5607 1 19 . 1 1 25 25 PHE C C 25 172.781 172.781 174.212 -1.431 19657 5608 1 19 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.390 -1.793 19657 5609 1 19 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.142 -1.897 19657 5610 1 19 . 1 1 25 25 PHE H H 25 8.314 8.314 7.823 0.491 19657 5611 1 19 . 1 1 26 26 ILE N N 26 123.050 123.050 123.132 -0.082 19657 5612 1 19 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.523 0.093 19657 5613 1 19 . 1 1 26 26 ILE C C 26 170.373 170.373 174.387 -4.014 19657 5614 1 19 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.428 -2.584 19657 5615 1 19 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.798 -3.323 19657 5616 1 19 . 1 1 26 26 ILE H H 26 9.093 9.093 9.109 -0.016 19657 5617 1 19 . 1 1 27 27 LYS N N 27 126.928 126.928 124.137 2.791 19657 5618 1 19 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.291 -0.100 19657 5619 1 19 . 1 1 27 27 LYS C C 27 174.551 174.551 175.584 -1.033 19657 5620 1 19 . 1 1 27 27 LYS CA C 27 55.166 55.166 56.242 -1.076 19657 5621 1 19 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.315 -2.735 19657 5622 1 19 . 1 1 27 27 LYS H H 27 8.309 8.309 8.237 0.072 19657 5623 1 19 . 1 1 28 28 CYS N N 28 119.357 119.357 122.137 -2.780 19657 5624 1 19 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.763 -0.191 19657 5625 1 19 . 1 1 28 28 CYS C C 28 169.287 169.287 172.790 -3.503 19657 5626 1 19 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.297 -4.756 19657 5627 1 19 . 1 1 28 28 CYS CB C 28 38.587 38.587 27.987 10.600 19657 5628 1 19 . 1 1 28 28 CYS H H 28 8.414 8.414 8.665 -0.251 19657 5629 1 19 . 1 1 30 30 LYS N N 30 116.481 116.481 119.879 -3.398 19657 5630 1 19 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.281 -0.325 19657 5631 1 19 . 1 1 30 30 LYS C C 30 173.819 173.819 175.851 -2.032 19657 5632 1 19 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.193 -2.696 19657 5633 1 19 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.445 -2.355 19657 5634 1 19 . 1 1 30 30 LYS H H 30 8.004 8.004 8.504 -0.500 19657 5635 1 19 . 1 1 31 31 PHE N N 31 116.963 116.963 118.368 -1.405 19657 5636 1 19 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.504 -0.027 19657 5637 1 19 . 1 1 31 31 PHE C C 31 173.518 173.518 177.391 -3.873 19657 5638 1 19 . 1 1 31 31 PHE CA C 31 54.044 54.044 58.593 -4.549 19657 5639 1 19 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.235 -2.592 19657 5640 1 19 . 1 1 31 31 PHE H H 31 6.424 6.424 7.870 -1.446 19657 5641 1 19 . 1 1 32 32 ASP N N 32 121.612 121.612 122.722 -1.110 19657 5642 1 19 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.430 -0.294 19657 5643 1 19 . 1 1 32 32 ASP C C 32 173.688 173.688 177.203 -3.515 19657 5644 1 19 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.774 -1.981 19657 5645 1 19 . 1 1 32 32 ASP CB C 32 37.892 37.892 41.107 -3.215 19657 5646 1 19 . 1 1 32 32 ASP H H 32 8.800 8.800 8.854 -0.054 19657 5647 1 19 . 1 1 33 33 ASN N N 33 113.168 113.168 117.207 -4.039 19657 5648 1 19 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.624 -0.061 19657 5649 1 19 . 1 1 33 33 ASN C C 33 172.656 172.656 174.651 -1.995 19657 5650 1 19 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.342 -2.980 19657 5651 1 19 . 1 1 33 33 ASN CB C 33 34.754 34.754 39.015 -4.261 19657 5652 1 19 . 1 1 33 33 ASN H H 33 8.455 8.455 8.309 0.146 19657 5653 1 19 . 1 1 34 34 LYS N N 34 117.622 117.622 118.611 -0.989 19657 5654 1 19 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.614 0.250 19657 5655 1 19 . 1 1 34 34 LYS C C 34 171.666 171.666 173.927 -2.261 19657 5656 1 19 . 1 1 34 34 LYS CA C 34 52.148 52.148 55.876 -3.728 19657 5657 1 19 . 1 1 34 34 LYS CB C 34 32.813 32.813 34.011 -1.198 19657 5658 1 19 . 1 1 34 34 LYS H H 34 7.676 7.676 7.650 0.026 19657 5659 1 19 . 1 1 35 35 LYS N N 35 116.880 116.880 117.437 -0.557 19657 5660 1 19 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.608 -0.109 19657 5661 1 19 . 1 1 35 35 LYS C C 35 172.133 172.133 174.783 -2.650 19657 5662 1 19 . 1 1 35 35 LYS CA C 35 52.155 52.155 55.057 -2.902 19657 5663 1 19 . 1 1 35 35 LYS CB C 35 30.775 30.775 34.904 -4.130 19657 5664 1 19 . 1 1 35 35 LYS H H 35 6.927 6.927 7.829 -0.902 19657 5665 1 19 . 1 1 36 36 CYS N N 36 117.678 117.678 120.482 -2.804 19657 5666 1 19 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.797 -0.110 19657 5667 1 19 . 1 1 36 36 CYS C C 36 174.909 174.909 176.262 -1.353 19657 5668 1 19 . 1 1 36 36 CYS CA C 36 53.356 53.356 58.936 -5.580 19657 5669 1 19 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.519 12.184 19657 5670 1 19 . 1 1 36 36 CYS H H 36 8.572 8.572 8.624 -0.052 19657 5671 1 19 . 1 1 37 37 THR N N 37 121.872 121.872 120.388 1.484 19657 5672 1 19 . 1 1 37 37 THR HA H 37 4.219 4.219 4.430 -0.211 19657 5673 1 19 . 1 1 37 37 THR C C 37 172.565 172.565 174.359 -1.794 19657 5674 1 19 . 1 1 37 37 THR CA C 37 60.478 60.478 62.695 -2.217 19657 5675 1 19 . 1 1 37 37 THR CB C 37 68.235 68.235 69.742 -1.507 19657 5676 1 19 . 1 1 37 37 THR H H 37 10.105 10.105 8.881 1.224 19657 5677 1 19 . 1 1 38 38 LYS N N 38 122.020 122.020 121.011 1.009 19657 5678 1 19 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.540 -0.385 19657 5679 1 19 . 1 1 38 38 LYS C C 38 170.713 170.713 174.417 -3.704 19657 5680 1 19 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.437 -0.572 19657 5681 1 19 . 1 1 38 38 LYS CB C 38 32.499 32.499 35.463 -2.964 19657 5682 1 19 . 1 1 38 38 LYS H H 38 7.258 7.258 7.672 -0.414 19657 5683 1 19 . 1 1 39 39 ASP N N 39 124.776 124.776 120.484 4.292 19657 5684 1 19 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.568 0.009 19657 5685 1 19 . 1 1 39 39 ASP C C 39 175.068 175.068 176.799 -1.731 19657 5686 1 19 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.417 -0.384 19657 5687 1 19 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.104 -3.650 19657 5688 1 19 . 1 1 39 39 ASP H H 39 8.783 8.783 8.449 0.334 19657 5689 1 19 . 1 1 40 40 ASN N N 40 114.764 114.764 115.501 -0.737 19657 5690 1 19 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.263 -0.001 19657 5691 1 19 . 1 1 40 40 ASN C C 40 171.530 171.530 174.725 -3.195 19657 5692 1 19 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.416 -1.441 19657 5693 1 19 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.427 -4.247 19657 5694 1 19 . 1 1 40 40 ASN H H 40 9.467 9.467 8.357 1.110 19657 5695 1 19 . 1 1 41 41 ASN N N 41 120.183 120.183 116.240 3.943 19657 5696 1 19 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.518 0.157 19657 5697 1 19 . 1 1 41 41 ASN C C 41 171.964 171.964 175.065 -3.101 19657 5698 1 19 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.531 -5.163 19657 5699 1 19 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.625 -3.227 19657 5700 1 19 . 1 1 41 41 ASN H H 41 7.729 7.729 7.920 -0.191 19657 5701 1 19 . 1 1 42 42 LYS N N 42 119.700 119.700 117.486 2.214 19657 5702 1 19 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.126 -0.771 19657 5703 1 19 . 1 1 42 42 LYS CA C 42 54.550 54.550 54.883 -0.333 19657 5704 1 19 . 1 1 42 42 LYS CB C 42 30.627 30.627 35.859 -5.232 19657 5705 1 19 . 1 1 42 42 LYS H H 42 8.496 8.496 8.215 0.281 19657 5706 1 19 . 1 1 43 43 CYS N N 43 113.920 113.920 118.456 -4.536 19657 5707 1 19 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.519 -0.175 19657 5708 1 19 . 1 1 43 43 CYS C C 43 169.725 169.725 173.116 -3.391 19657 5709 1 19 . 1 1 43 43 CYS CA C 43 50.891 50.891 56.218 -5.327 19657 5710 1 19 . 1 1 43 43 CYS H H 43 7.542 7.542 9.366 -1.824 19657 5711 1 19 . 1 1 44 44 THR N N 44 113.141 113.141 114.663 -1.522 19657 5712 1 19 . 1 1 44 44 THR HA H 44 5.229 5.229 5.054 0.175 19657 5713 1 19 . 1 1 44 44 THR C C 44 169.993 169.993 173.529 -3.536 19657 5714 1 19 . 1 1 44 44 THR CA C 44 57.308 57.308 60.748 -3.440 19657 5715 1 19 . 1 1 44 44 THR CB C 44 69.607 69.607 71.131 -1.524 19657 5716 1 19 . 1 1 44 44 THR H H 44 8.987 8.987 8.844 0.143 19657 5717 1 19 . 1 1 45 45 VAL N N 45 121.909 121.909 122.897 -0.988 19657 5718 1 19 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.786 -0.299 19657 5719 1 19 . 1 1 45 45 VAL C C 45 171.182 171.182 173.652 -2.470 19657 5720 1 19 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.247 -3.178 19657 5721 1 19 . 1 1 45 45 VAL CB C 45 33.384 33.384 35.111 -1.727 19657 5722 1 19 . 1 1 45 45 VAL H H 45 8.571 8.571 8.004 0.567 19657 5723 1 19 . 1 1 46 46 ASP N N 46 126.446 126.446 125.854 0.592 19657 5724 1 19 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.596 -0.269 19657 5725 1 19 . 1 1 46 46 ASP C C 46 175.630 175.630 176.644 -1.014 19657 5726 1 19 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.461 -3.206 19657 5727 1 19 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.809 -4.758 19657 5728 1 19 . 1 1 46 46 ASP H H 46 8.566 8.566 8.506 0.060 19657 5729 1 19 . 1 1 47 47 THR N N 47 114.273 114.273 119.369 -5.096 19657 5730 1 19 . 1 1 47 47 THR HA H 47 4.185 4.185 4.370 -0.185 19657 5731 1 19 . 1 1 47 47 THR C C 47 173.322 173.322 175.213 -1.891 19657 5732 1 19 . 1 1 47 47 THR CA C 47 60.559 60.559 64.316 -3.756 19657 5733 1 19 . 1 1 47 47 THR CB C 47 66.582 66.582 69.135 -2.554 19657 5734 1 19 . 1 1 47 47 THR H H 47 9.087 9.087 8.770 0.317 19657 5735 1 19 . 1 1 48 48 TYR N N 48 123.848 123.848 120.625 3.223 19657 5736 1 19 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.346 0.047 19657 5737 1 19 . 1 1 48 48 TYR C C 48 173.776 173.776 176.613 -2.837 19657 5738 1 19 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.932 -3.313 19657 5739 1 19 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.659 -2.842 19657 5740 1 19 . 1 1 48 48 TYR H H 48 8.818 8.818 8.510 0.308 19657 5741 1 19 . 1 1 49 49 ASN N N 49 113.642 113.642 114.389 -0.747 19657 5742 1 19 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.703 -0.238 19657 5743 1 19 . 1 1 49 49 ASN C C 49 172.356 172.356 174.642 -2.286 19657 5744 1 19 . 1 1 49 49 ASN CA C 49 49.231 49.231 52.995 -3.764 19657 5745 1 19 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.657 -4.173 19657 5746 1 19 . 1 1 49 49 ASN H H 49 7.460 7.460 8.250 -0.790 19657 5747 1 19 . 1 1 50 50 ASN N N 50 117.167 117.167 117.077 0.090 19657 5748 1 19 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.417 -0.227 19657 5749 1 19 . 1 1 50 50 ASN C C 50 170.581 170.581 173.530 -2.949 19657 5750 1 19 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.261 -2.598 19657 5751 1 19 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.501 -3.299 19657 5752 1 19 . 1 1 50 50 ASN H H 50 7.886 7.886 7.805 0.081 19657 5753 1 19 . 1 1 51 51 ALA N N 51 121.083 121.083 119.643 1.440 19657 5754 1 19 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.621 -0.189 19657 5755 1 19 . 1 1 51 51 ALA C C 51 174.002 174.002 175.729 -1.727 19657 5756 1 19 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.553 -1.950 19657 5757 1 19 . 1 1 51 51 ALA CB C 51 17.688 17.688 21.324 -3.636 19657 5758 1 19 . 1 1 51 51 ALA H H 51 7.843 7.843 7.510 0.333 19657 5759 1 19 . 1 1 52 52 VAL N N 52 125.592 125.592 122.212 3.380 19657 5760 1 19 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.071 -0.172 19657 5761 1 19 . 1 1 52 52 VAL C C 52 171.449 171.449 174.553 -3.104 19657 5762 1 19 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.998 -3.104 19657 5763 1 19 . 1 1 52 52 VAL CB C 52 32.369 32.369 35.305 -2.936 19657 5764 1 19 . 1 1 52 52 VAL H H 52 8.241 8.241 8.326 -0.085 19657 5765 1 19 . 1 1 53 53 ASP N N 53 125.731 125.731 125.647 0.084 19657 5766 1 19 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.994 -0.071 19657 5767 1 19 . 1 1 53 53 ASP C C 53 172.314 172.314 174.500 -2.186 19657 5768 1 19 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.107 -2.776 19657 5769 1 19 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.496 -3.734 19657 5770 1 19 . 1 1 53 53 ASP H H 53 8.613 8.613 8.687 -0.074 19657 5771 1 19 . 1 1 54 54 CYS N N 54 122.864 122.864 122.333 0.531 19657 5772 1 19 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.656 -0.022 19657 5773 1 19 . 1 1 54 54 CYS C C 54 167.690 167.690 175.120 -7.430 19657 5774 1 19 . 1 1 54 54 CYS CA C 54 51.047 51.047 57.568 -6.521 19657 5775 1 19 . 1 1 54 54 CYS CB C 54 41.549 41.549 30.266 11.283 19657 5776 1 19 . 1 1 54 54 CYS H H 54 8.627 8.627 8.873 -0.246 19657 5777 1 20 . 1 1 2 2 LYS N N 2 119.803 119.803 121.615 -1.812 19657 5778 1 20 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.793 0.456 19657 5779 1 20 . 1 1 2 2 LYS C C 2 172.912 172.912 175.439 -2.527 19657 5780 1 20 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.466 -3.277 19657 5781 1 20 . 1 1 2 2 LYS CB C 2 31.708 31.708 33.357 -1.649 19657 5782 1 20 . 1 1 2 2 LYS H H 2 8.180 8.180 8.085 0.095 19657 5783 1 20 . 1 1 3 3 TYR N N 3 122.744 122.744 124.431 -1.687 19657 5784 1 20 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.800 -0.004 19657 5785 1 20 . 1 1 3 3 TYR C C 3 172.523 172.523 175.047 -2.524 19657 5786 1 20 . 1 1 3 3 TYR CA C 3 53.741 53.741 57.077 -3.336 19657 5787 1 20 . 1 1 3 3 TYR CB C 3 39.690 39.690 41.234 -1.544 19657 5788 1 20 . 1 1 3 3 TYR H H 3 8.951 8.951 8.325 0.626 19657 5789 1 20 . 1 1 4 4 THR N N 4 117.010 117.010 118.912 -1.902 19657 5790 1 20 . 1 1 4 4 THR HA H 4 5.012 5.012 4.660 0.352 19657 5791 1 20 . 1 1 4 4 THR C C 4 171.489 171.489 174.155 -2.666 19657 5792 1 20 . 1 1 4 4 THR CA C 4 58.808 58.808 60.521 -1.713 19657 5793 1 20 . 1 1 4 4 THR CB C 4 67.837 67.837 69.922 -2.085 19657 5794 1 20 . 1 1 4 4 THR H H 4 8.870 8.870 8.650 0.220 19657 5795 1 20 . 1 1 5 5 GLY N N 5 115.340 115.340 114.414 0.926 19657 5796 1 20 . 1 1 5 5 GLY C C 5 171.505 171.505 172.241 -0.736 19657 5797 1 20 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.615 -2.550 19657 5798 1 20 . 1 1 5 5 GLY H H 5 9.116 9.116 7.934 1.182 19657 5799 1 20 . 1 1 6 6 LYS N N 6 121.120 121.120 119.166 1.954 19657 5800 1 20 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.263 0.126 19657 5801 1 20 . 1 1 6 6 LYS C C 6 174.162 174.162 175.583 -1.421 19657 5802 1 20 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.513 -2.869 19657 5803 1 20 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.239 -1.242 19657 5804 1 20 . 1 1 6 6 LYS H H 6 8.408 8.408 8.346 0.062 19657 5805 1 20 . 1 1 7 7 CYS N N 7 122.530 122.530 118.635 3.895 19657 5806 1 20 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.662 0.670 19657 5807 1 20 . 1 1 7 7 CYS C C 7 169.635 169.635 173.748 -4.113 19657 5808 1 20 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.792 -5.382 19657 5809 1 20 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.338 11.306 19657 5810 1 20 . 1 1 7 7 CYS H H 7 9.795 9.795 8.682 1.113 19657 5811 1 20 . 1 1 8 8 THR N N 8 112.909 112.909 114.551 -1.642 19657 5812 1 20 . 1 1 8 8 THR HA H 8 4.690 4.690 4.800 -0.110 19657 5813 1 20 . 1 1 8 8 THR C C 8 172.048 172.048 175.245 -3.197 19657 5814 1 20 . 1 1 8 8 THR CA C 8 57.291 57.291 60.111 -2.820 19657 5815 1 20 . 1 1 8 8 THR CB C 8 68.608 68.608 71.485 -2.877 19657 5816 1 20 . 1 1 8 8 THR H H 8 8.630 8.630 8.026 0.604 19657 5817 1 20 . 1 1 9 9 LYS N N 9 127.151 127.151 123.284 3.867 19657 5818 1 20 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.110 -0.552 19657 5819 1 20 . 1 1 9 9 LYS C C 9 176.697 176.697 176.248 0.449 19657 5820 1 20 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.538 -1.342 19657 5821 1 20 . 1 1 9 9 LYS CB C 9 31.079 31.079 31.896 -0.817 19657 5822 1 20 . 1 1 9 9 LYS H H 9 8.916 8.916 8.635 0.281 19657 5823 1 20 . 1 1 10 10 SER N N 10 116.323 116.323 115.440 0.883 19657 5824 1 20 . 1 1 10 10 SER C C 10 176.174 176.174 175.471 0.703 19657 5825 1 20 . 1 1 10 10 SER CA C 10 59.045 59.045 60.458 -1.413 19657 5826 1 20 . 1 1 10 10 SER H H 10 9.391 9.391 8.132 1.259 19657 5827 1 20 . 1 1 11 11 LYS N N 11 116.908 116.908 120.556 -3.648 19657 5828 1 20 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.330 -0.179 19657 5829 1 20 . 1 1 11 11 LYS C C 11 173.027 173.027 176.371 -3.344 19657 5830 1 20 . 1 1 11 11 LYS CA C 11 53.362 53.362 56.013 -2.651 19657 5831 1 20 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.428 -1.878 19657 5832 1 20 . 1 1 11 11 LYS H H 11 7.079 7.079 8.049 -0.970 19657 5833 1 20 . 1 1 12 12 ASN N N 12 120.313 120.313 117.149 3.164 19657 5834 1 20 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.507 0.078 19657 5835 1 20 . 1 1 12 12 ASN C C 12 171.411 171.411 173.292 -1.881 19657 5836 1 20 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.254 -3.380 19657 5837 1 20 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.755 -3.272 19657 5838 1 20 . 1 1 12 12 ASN H H 12 7.589 7.589 8.025 -0.436 19657 5839 1 20 . 1 1 13 13 GLU N N 13 114.653 114.653 116.652 -1.999 19657 5840 1 20 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.717 0.157 19657 5841 1 20 . 1 1 13 13 GLU C C 13 170.929 170.929 174.582 -3.653 19657 5842 1 20 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.662 -2.633 19657 5843 1 20 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.336 0.437 19657 5844 1 20 . 1 1 13 13 GLU H H 13 7.237 7.237 7.751 -0.514 19657 5845 1 20 . 1 1 14 14 CYS N N 14 123.273 123.273 123.468 -0.195 19657 5846 1 20 . 1 1 14 14 CYS HA H 14 4.632 4.632 5.099 -0.467 19657 5847 1 20 . 1 1 14 14 CYS C C 14 168.900 168.900 173.375 -4.475 19657 5848 1 20 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.039 -5.925 19657 5849 1 20 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.512 9.030 19657 5850 1 20 . 1 1 14 14 CYS H H 14 9.637 9.637 9.133 0.504 19657 5851 1 20 . 1 1 15 15 LYS N N 15 111.712 111.712 122.943 -11.231 19657 5852 1 20 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.490 -0.562 19657 5853 1 20 . 1 1 15 15 LYS C C 15 172.655 172.655 174.662 -2.007 19657 5854 1 20 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.143 -3.708 19657 5855 1 20 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.365 -2.893 19657 5856 1 20 . 1 1 15 15 LYS H H 15 8.620 8.620 8.660 -0.040 19657 5857 1 20 . 1 1 16 16 TYR N N 16 126.641 126.641 119.736 6.905 19657 5858 1 20 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.038 -0.133 19657 5859 1 20 . 1 1 16 16 TYR C C 16 168.924 168.924 173.634 -4.710 19657 5860 1 20 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.245 -3.152 19657 5861 1 20 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.947 -3.468 19657 5862 1 20 . 1 1 16 16 TYR H H 16 8.993 8.993 9.197 -0.204 19657 5863 1 20 . 1 1 17 17 LYS N N 17 120.730 120.730 121.940 -1.210 19657 5864 1 20 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.708 -0.294 19657 5865 1 20 . 1 1 17 17 LYS C C 17 173.386 173.386 176.310 -2.924 19657 5866 1 20 . 1 1 17 17 LYS CA C 17 51.694 51.694 54.992 -3.298 19657 5867 1 20 . 1 1 17 17 LYS CB C 17 30.894 30.894 33.892 -2.998 19657 5868 1 20 . 1 1 17 17 LYS H H 17 8.414 8.414 8.708 -0.294 19657 5869 1 20 . 1 1 18 18 ASN N N 18 122.104 122.104 124.264 -2.160 19657 5870 1 20 . 1 1 18 18 ASN HA H 18 4.096 4.096 3.924 0.172 19657 5871 1 20 . 1 1 18 18 ASN C C 18 173.990 173.990 176.390 -2.400 19657 5872 1 20 . 1 1 18 18 ASN CA C 18 48.158 48.158 52.466 -4.308 19657 5873 1 20 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.197 -4.054 19657 5874 1 20 . 1 1 18 18 ASN H H 18 7.729 7.729 7.955 -0.226 19657 5875 1 20 . 1 1 19 19 ASP N N 19 117.316 117.316 118.233 -0.917 19657 5876 1 20 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.475 -0.102 19657 5877 1 20 . 1 1 19 19 ASP C C 19 173.929 173.929 176.818 -2.889 19657 5878 1 20 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.755 -2.490 19657 5879 1 20 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.336 -2.977 19657 5880 1 20 . 1 1 19 19 ASP H H 19 8.231 8.231 8.724 -0.493 19657 5881 1 20 . 1 1 20 20 ALA N N 20 120.814 120.814 120.155 0.659 19657 5882 1 20 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.198 0.197 19657 5883 1 20 . 1 1 20 20 ALA C C 20 174.854 174.854 178.659 -3.805 19657 5884 1 20 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.308 -3.543 19657 5885 1 20 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.057 -3.044 19657 5886 1 20 . 1 1 20 20 ALA H H 20 7.413 7.413 8.300 -0.887 19657 5887 1 20 . 1 1 21 21 GLY N N 21 126.585 126.585 106.134 20.451 19657 5888 1 20 . 1 1 21 21 GLY C C 21 171.015 171.015 173.979 -2.964 19657 5889 1 20 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.279 -2.452 19657 5890 1 20 . 1 1 21 21 GLY H H 21 8.162 8.162 7.991 0.171 19657 5891 1 20 . 1 1 22 22 LYS N N 22 120.322 120.322 121.581 -1.259 19657 5892 1 20 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.229 0.088 19657 5893 1 20 . 1 1 22 22 LYS C C 22 174.076 174.076 175.439 -1.363 19657 5894 1 20 . 1 1 22 22 LYS CA C 22 51.436 51.436 56.533 -5.097 19657 5895 1 20 . 1 1 22 22 LYS CB C 22 30.576 30.576 32.874 -2.298 19657 5896 1 20 . 1 1 22 22 LYS H H 22 7.676 7.676 7.737 -0.061 19657 5897 1 20 . 1 1 23 23 ASP N N 23 126.455 126.455 121.615 4.840 19657 5898 1 20 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.465 -0.203 19657 5899 1 20 . 1 1 23 23 ASP C C 23 172.391 172.391 176.084 -3.693 19657 5900 1 20 . 1 1 23 23 ASP CA C 23 52.973 52.973 54.973 -2.000 19657 5901 1 20 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.384 -3.261 19657 5902 1 20 . 1 1 23 23 ASP H H 23 8.619 8.619 8.329 0.290 19657 5903 1 20 . 1 1 24 24 THR N N 24 122.762 122.762 119.967 2.795 19657 5904 1 20 . 1 1 24 24 THR HA H 24 4.009 4.009 4.404 -0.395 19657 5905 1 20 . 1 1 24 24 THR C C 24 167.562 167.562 172.867 -5.305 19657 5906 1 20 . 1 1 24 24 THR CA C 24 59.223 59.223 61.175 -1.952 19657 5907 1 20 . 1 1 24 24 THR CB C 24 67.985 67.985 70.316 -2.331 19657 5908 1 20 . 1 1 24 24 THR H H 24 8.773 8.773 8.781 -0.008 19657 5909 1 20 . 1 1 25 25 PHE N N 25 122.224 122.224 124.766 -2.542 19657 5910 1 20 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.499 -0.117 19657 5911 1 20 . 1 1 25 25 PHE C C 25 172.781 172.781 174.181 -1.400 19657 5912 1 20 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.332 -1.735 19657 5913 1 20 . 1 1 25 25 PHE CB C 25 39.245 39.245 40.809 -1.564 19657 5914 1 20 . 1 1 25 25 PHE H H 25 8.314 8.314 7.796 0.518 19657 5915 1 20 . 1 1 26 26 ILE N N 26 123.050 123.050 125.132 -2.082 19657 5916 1 20 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.509 0.107 19657 5917 1 20 . 1 1 26 26 ILE C C 26 170.373 170.373 174.497 -4.124 19657 5918 1 20 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.555 -2.711 19657 5919 1 20 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.931 -3.457 19657 5920 1 20 . 1 1 26 26 ILE H H 26 9.093 9.093 9.147 -0.054 19657 5921 1 20 . 1 1 27 27 LYS N N 27 126.928 126.928 126.057 0.871 19657 5922 1 20 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.360 -0.169 19657 5923 1 20 . 1 1 27 27 LYS C C 27 174.551 174.551 175.244 -0.693 19657 5924 1 20 . 1 1 27 27 LYS CA C 27 55.166 55.166 55.642 -0.476 19657 5925 1 20 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.262 -2.682 19657 5926 1 20 . 1 1 27 27 LYS H H 27 8.309 8.309 8.286 0.023 19657 5927 1 20 . 1 1 28 28 CYS N N 28 119.357 119.357 123.846 -4.489 19657 5928 1 20 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.943 -0.371 19657 5929 1 20 . 1 1 28 28 CYS C C 28 169.287 169.287 173.242 -3.955 19657 5930 1 20 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.415 -4.874 19657 5931 1 20 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.347 10.240 19657 5932 1 20 . 1 1 28 28 CYS H H 28 8.414 8.414 8.449 -0.035 19657 5933 1 20 . 1 1 30 30 LYS N N 30 116.481 116.481 119.447 -2.966 19657 5934 1 20 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.299 -0.343 19657 5935 1 20 . 1 1 30 30 LYS C C 30 173.819 173.819 176.103 -2.284 19657 5936 1 20 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.291 -2.793 19657 5937 1 20 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.448 -2.358 19657 5938 1 20 . 1 1 30 30 LYS H H 30 8.004 8.004 8.643 -0.639 19657 5939 1 20 . 1 1 31 31 PHE N N 31 116.963 116.963 119.347 -2.384 19657 5940 1 20 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.465 0.012 19657 5941 1 20 . 1 1 31 31 PHE C C 31 173.518 173.518 177.410 -3.892 19657 5942 1 20 . 1 1 31 31 PHE CA C 31 54.044 54.044 57.994 -3.950 19657 5943 1 20 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.312 -2.669 19657 5944 1 20 . 1 1 31 31 PHE H H 31 6.424 6.424 7.942 -1.518 19657 5945 1 20 . 1 1 32 32 ASP N N 32 121.612 121.612 122.838 -1.226 19657 5946 1 20 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.340 -0.204 19657 5947 1 20 . 1 1 32 32 ASP C C 32 173.688 173.688 176.223 -2.535 19657 5948 1 20 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.380 -1.587 19657 5949 1 20 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.441 -2.550 19657 5950 1 20 . 1 1 32 32 ASP H H 32 8.800 8.800 8.796 0.004 19657 5951 1 20 . 1 1 33 33 ASN N N 33 113.168 113.168 118.026 -4.858 19657 5952 1 20 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.620 -0.057 19657 5953 1 20 . 1 1 33 33 ASN C C 33 172.656 172.656 175.363 -2.707 19657 5954 1 20 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.174 -2.812 19657 5955 1 20 . 1 1 33 33 ASN CB C 33 34.754 34.754 38.696 -3.942 19657 5956 1 20 . 1 1 33 33 ASN H H 33 8.455 8.455 8.582 -0.127 19657 5957 1 20 . 1 1 34 34 LYS N N 34 117.622 117.622 118.094 -0.472 19657 5958 1 20 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.611 0.253 19657 5959 1 20 . 1 1 34 34 LYS C C 34 171.666 171.666 173.948 -2.282 19657 5960 1 20 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.303 -4.155 19657 5961 1 20 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.231 -2.418 19657 5962 1 20 . 1 1 34 34 LYS H H 34 7.676 7.676 7.774 -0.098 19657 5963 1 20 . 1 1 35 35 LYS N N 35 116.880 116.880 117.705 -0.825 19657 5964 1 20 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.761 -0.262 19657 5965 1 20 . 1 1 35 35 LYS C C 35 172.133 172.133 174.694 -2.561 19657 5966 1 20 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.885 -2.730 19657 5967 1 20 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.499 -4.724 19657 5968 1 20 . 1 1 35 35 LYS H H 35 6.927 6.927 8.001 -1.074 19657 5969 1 20 . 1 1 36 36 CYS N N 36 117.678 117.678 119.436 -1.758 19657 5970 1 20 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.772 -0.085 19657 5971 1 20 . 1 1 36 36 CYS C C 36 174.909 174.909 175.873 -0.964 19657 5972 1 20 . 1 1 36 36 CYS CA C 36 53.356 53.356 59.606 -6.250 19657 5973 1 20 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.035 12.668 19657 5974 1 20 . 1 1 36 36 CYS H H 36 8.572 8.572 8.598 -0.026 19657 5975 1 20 . 1 1 37 37 THR N N 37 121.872 121.872 118.096 3.776 19657 5976 1 20 . 1 1 37 37 THR HA H 37 4.219 4.219 4.337 -0.118 19657 5977 1 20 . 1 1 37 37 THR C C 37 172.565 172.565 173.966 -1.401 19657 5978 1 20 . 1 1 37 37 THR CA C 37 60.478 60.478 63.432 -2.954 19657 5979 1 20 . 1 1 37 37 THR CB C 37 68.235 68.235 69.174 -0.939 19657 5980 1 20 . 1 1 37 37 THR H H 37 10.105 10.105 8.795 1.310 19657 5981 1 20 . 1 1 38 38 LYS N N 38 122.020 122.020 119.159 2.861 19657 5982 1 20 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.510 -0.355 19657 5983 1 20 . 1 1 38 38 LYS C C 38 170.713 170.713 174.408 -3.695 19657 5984 1 20 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.271 -0.406 19657 5985 1 20 . 1 1 38 38 LYS CB C 38 32.499 32.499 36.090 -3.591 19657 5986 1 20 . 1 1 38 38 LYS H H 38 7.258 7.258 7.483 -0.225 19657 5987 1 20 . 1 1 39 39 ASP N N 39 124.776 124.776 119.278 5.498 19657 5988 1 20 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.518 0.059 19657 5989 1 20 . 1 1 39 39 ASP C C 39 175.068 175.068 176.764 -1.696 19657 5990 1 20 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.489 -0.456 19657 5991 1 20 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.522 -4.068 19657 5992 1 20 . 1 1 39 39 ASP H H 39 8.783 8.783 8.346 0.437 19657 5993 1 20 . 1 1 40 40 ASN N N 40 114.764 114.764 115.983 -1.219 19657 5994 1 20 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.260 0.002 19657 5995 1 20 . 1 1 40 40 ASN C C 40 171.530 171.530 174.523 -2.993 19657 5996 1 20 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.480 -1.505 19657 5997 1 20 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.417 -4.237 19657 5998 1 20 . 1 1 40 40 ASN H H 40 9.467 9.467 8.455 1.012 19657 5999 1 20 . 1 1 41 41 ASN N N 41 120.183 120.183 116.182 4.001 19657 6000 1 20 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.556 0.119 19657 6001 1 20 . 1 1 41 41 ASN C C 41 171.964 171.964 174.965 -3.001 19657 6002 1 20 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.815 -5.447 19657 6003 1 20 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.297 -2.899 19657 6004 1 20 . 1 1 41 41 ASN H H 41 7.729 7.729 7.934 -0.205 19657 6005 1 20 . 1 1 42 42 LYS N N 42 119.700 119.700 118.029 1.671 19657 6006 1 20 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.205 -0.850 19657 6007 1 20 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.357 -0.807 19657 6008 1 20 . 1 1 42 42 LYS CB C 42 30.627 30.627 36.060 -5.433 19657 6009 1 20 . 1 1 42 42 LYS H H 42 8.496 8.496 8.546 -0.050 19657 6010 1 20 . 1 1 43 43 CYS N N 43 113.920 113.920 118.872 -4.952 19657 6011 1 20 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.342 0.002 19657 6012 1 20 . 1 1 43 43 CYS C C 43 169.725 169.725 173.936 -4.211 19657 6013 1 20 . 1 1 43 43 CYS CA C 43 50.891 50.891 56.911 -6.020 19657 6014 1 20 . 1 1 43 43 CYS H H 43 7.542 7.542 9.196 -1.654 19657 6015 1 20 . 1 1 44 44 THR N N 44 113.141 113.141 114.046 -0.905 19657 6016 1 20 . 1 1 44 44 THR HA H 44 5.229 5.229 5.072 0.157 19657 6017 1 20 . 1 1 44 44 THR C C 44 169.993 169.993 173.215 -3.222 19657 6018 1 20 . 1 1 44 44 THR CA C 44 57.308 57.308 61.056 -3.748 19657 6019 1 20 . 1 1 44 44 THR CB C 44 69.607 69.607 71.375 -1.768 19657 6020 1 20 . 1 1 44 44 THR H H 44 8.987 8.987 8.938 0.049 19657 6021 1 20 . 1 1 45 45 VAL N N 45 121.909 121.909 123.161 -1.252 19657 6022 1 20 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.474 0.013 19657 6023 1 20 . 1 1 45 45 VAL C C 45 171.182 171.182 173.586 -2.404 19657 6024 1 20 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.133 -3.064 19657 6025 1 20 . 1 1 45 45 VAL CB C 45 33.384 33.384 34.872 -1.488 19657 6026 1 20 . 1 1 45 45 VAL H H 45 8.571 8.571 8.163 0.408 19657 6027 1 20 . 1 1 46 46 ASP N N 46 126.446 126.446 126.938 -0.492 19657 6028 1 20 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.529 -0.202 19657 6029 1 20 . 1 1 46 46 ASP C C 46 175.630 175.630 176.702 -1.072 19657 6030 1 20 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.382 -3.127 19657 6031 1 20 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.741 -4.690 19657 6032 1 20 . 1 1 46 46 ASP H H 46 8.566 8.566 8.250 0.316 19657 6033 1 20 . 1 1 47 47 THR N N 47 114.273 114.273 119.586 -5.313 19657 6034 1 20 . 1 1 47 47 THR HA H 47 4.185 4.185 4.435 -0.250 19657 6035 1 20 . 1 1 47 47 THR C C 47 173.322 173.322 175.171 -1.849 19657 6036 1 20 . 1 1 47 47 THR CA C 47 60.559 60.559 64.138 -3.579 19657 6037 1 20 . 1 1 47 47 THR CB C 47 66.582 66.582 69.188 -2.606 19657 6038 1 20 . 1 1 47 47 THR H H 47 9.087 9.087 8.444 0.643 19657 6039 1 20 . 1 1 48 48 TYR N N 48 123.848 123.848 121.216 2.632 19657 6040 1 20 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.365 0.028 19657 6041 1 20 . 1 1 48 48 TYR C C 48 173.776 173.776 176.440 -2.664 19657 6042 1 20 . 1 1 48 48 TYR CA C 48 57.619 57.619 61.073 -3.454 19657 6043 1 20 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.965 -3.147 19657 6044 1 20 . 1 1 48 48 TYR H H 48 8.818 8.818 8.115 0.703 19657 6045 1 20 . 1 1 49 49 ASN N N 49 113.642 113.642 114.635 -0.993 19657 6046 1 20 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.709 -0.244 19657 6047 1 20 . 1 1 49 49 ASN C C 49 172.356 172.356 174.598 -2.242 19657 6048 1 20 . 1 1 49 49 ASN CA C 49 49.231 49.231 52.780 -3.549 19657 6049 1 20 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.510 -4.026 19657 6050 1 20 . 1 1 49 49 ASN H H 49 7.460 7.460 8.230 -0.770 19657 6051 1 20 . 1 1 50 50 ASN N N 50 117.167 117.167 116.845 0.322 19657 6052 1 20 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.483 -0.293 19657 6053 1 20 . 1 1 50 50 ASN C C 50 170.581 170.581 173.512 -2.931 19657 6054 1 20 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.384 -2.721 19657 6055 1 20 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.001 -2.799 19657 6056 1 20 . 1 1 50 50 ASN H H 50 7.886 7.886 7.905 -0.019 19657 6057 1 20 . 1 1 51 51 ALA N N 51 121.083 121.083 120.976 0.107 19657 6058 1 20 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.545 -0.113 19657 6059 1 20 . 1 1 51 51 ALA C C 51 174.002 174.002 176.170 -2.168 19657 6060 1 20 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.272 -1.669 19657 6061 1 20 . 1 1 51 51 ALA CB C 51 17.688 17.688 20.741 -3.053 19657 6062 1 20 . 1 1 51 51 ALA H H 51 7.843 7.843 7.488 0.355 19657 6063 1 20 . 1 1 52 52 VAL N N 52 125.592 125.592 120.049 5.543 19657 6064 1 20 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.176 -0.277 19657 6065 1 20 . 1 1 52 52 VAL C C 52 171.449 171.449 174.687 -3.238 19657 6066 1 20 . 1 1 52 52 VAL CA C 52 57.894 57.894 59.411 -1.517 19657 6067 1 20 . 1 1 52 52 VAL CB C 52 32.369 32.369 33.968 -1.599 19657 6068 1 20 . 1 1 52 52 VAL H H 52 8.241 8.241 8.361 -0.120 19657 6069 1 20 . 1 1 53 53 ASP N N 53 125.731 125.731 125.767 -0.036 19657 6070 1 20 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.894 0.029 19657 6071 1 20 . 1 1 53 53 ASP C C 53 172.314 172.314 174.296 -1.982 19657 6072 1 20 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.612 -3.281 19657 6073 1 20 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.432 -3.670 19657 6074 1 20 . 1 1 53 53 ASP H H 53 8.613 8.613 8.848 -0.235 19657 6075 1 20 . 1 1 54 54 CYS N N 54 122.864 122.864 122.905 -0.041 19657 6076 1 20 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.629 0.005 19657 6077 1 20 . 1 1 54 54 CYS C C 54 167.690 167.690 174.578 -6.888 19657 6078 1 20 . 1 1 54 54 CYS CA C 54 51.047 51.047 57.891 -6.844 19657 6079 1 20 . 1 1 54 54 CYS CB C 54 41.549 41.549 30.536 11.013 19657 6080 1 20 . 1 1 54 54 CYS H H 54 8.627 8.627 8.851 -0.224 19657 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 52 4.256 -0.216 4.292 19657 2 1 1 "Average Difference" HA 53 0.307 0.112 0.289 19657 3 1 1 "Average Difference" C 51 2.922 2.623 1.301 19657 4 1 1 "Average Difference" CA 52 3.357 3.059 1.396 19657 5 1 1 "Average Difference" CB 48 4.578 1.467 4.383 19657 6 1 1 "Average Difference" HN 52 0.611 -0.034 0.616 19657 7 1 2 "Average Difference" N 52 4.036 -0.451 4.049 19657 8 1 2 "Average Difference" HA 53 0.300 0.126 0.275 19657 9 1 2 "Average Difference" C 51 3.086 2.751 1.413 19657 10 1 2 "Average Difference" CA 52 3.390 3.073 1.445 19657 11 1 2 "Average Difference" CB 48 4.583 1.464 4.389 19657 12 1 2 "Average Difference" HN 52 0.609 -0.048 0.613 19657 13 1 3 "Average Difference" N 52 4.244 -0.274 4.277 19657 14 1 3 "Average Difference" HA 53 0.296 0.095 0.283 19657 15 1 3 "Average Difference" C 51 2.945 2.670 1.256 19657 16 1 3 "Average Difference" CA 52 3.425 3.133 1.397 19657 17 1 3 "Average Difference" CB 48 4.566 1.342 4.411 19657 18 1 3 "Average Difference" HN 52 0.706 -0.074 0.709 19657 19 1 4 "Average Difference" N 52 4.299 -0.527 4.309 19657 20 1 4 "Average Difference" HA 53 0.305 0.110 0.288 19657 21 1 4 "Average Difference" C 51 3.006 2.720 1.293 19657 22 1 4 "Average Difference" CA 52 3.452 3.122 1.487 19657 23 1 4 "Average Difference" CB 48 4.519 1.433 4.331 19657 24 1 4 "Average Difference" HN 52 0.634 -0.037 0.639 19657 25 1 5 "Average Difference" N 52 4.095 -0.264 4.126 19657 26 1 5 "Average Difference" HA 53 0.307 0.105 0.291 19657 27 1 5 "Average Difference" C 51 2.955 2.687 1.240 19657 28 1 5 "Average Difference" CA 52 3.239 2.921 1.412 19657 29 1 5 "Average Difference" CB 48 4.527 1.386 4.355 19657 30 1 5 "Average Difference" HN 52 0.658 -0.096 0.658 19657 31 1 6 "Average Difference" N 52 4.224 -0.300 4.254 19657 32 1 6 "Average Difference" HA 53 0.313 0.119 0.292 19657 33 1 6 "Average Difference" C 51 3.049 2.728 1.375 19657 34 1 6 "Average Difference" CA 52 3.322 2.976 1.491 19657 35 1 6 "Average Difference" CB 48 4.543 1.299 4.399 19657 36 1 6 "Average Difference" HN 52 0.653 -0.066 0.656 19657 37 1 7 "Average Difference" N 52 4.144 -0.361 4.169 19657 38 1 7 "Average Difference" HA 53 0.306 0.131 0.279 19657 39 1 7 "Average Difference" C 51 3.090 2.782 1.360 19657 40 1 7 "Average Difference" CA 52 3.368 3.032 1.480 19657 41 1 7 "Average Difference" CB 48 4.544 1.401 4.368 19657 42 1 7 "Average Difference" HN 52 0.622 -0.022 0.628 19657 43 1 8 "Average Difference" N 52 4.382 -0.309 4.413 19657 44 1 8 "Average Difference" HA 53 0.290 0.075 0.283 19657 45 1 8 "Average Difference" C 51 2.959 2.657 1.316 19657 46 1 8 "Average Difference" CA 52 3.346 3.004 1.489 19657 47 1 8 "Average Difference" CB 48 4.576 1.394 4.405 19657 48 1 8 "Average Difference" HN 52 0.645 -0.087 0.645 19657 49 1 9 "Average Difference" N 52 4.333 -0.148 4.373 19657 50 1 9 "Average Difference" HA 53 0.305 0.102 0.290 19657 51 1 9 "Average Difference" C 51 2.941 2.671 1.245 19657 52 1 9 "Average Difference" CA 52 3.372 3.060 1.432 19657 53 1 9 "Average Difference" CB 48 4.570 1.361 4.409 19657 54 1 9 "Average Difference" HN 52 0.665 -0.088 0.665 19657 55 1 10 "Average Difference" N 52 4.116 -0.348 4.142 19657 56 1 10 "Average Difference" HA 53 0.290 0.128 0.263 19657 57 1 10 "Average Difference" C 51 3.021 2.685 1.397 19657 58 1 10 "Average Difference" CA 52 3.394 3.081 1.438 19657 59 1 10 "Average Difference" CB 48 4.539 1.490 4.333 19657 60 1 10 "Average Difference" HN 52 0.678 -0.045 0.683 19657 61 1 11 "Average Difference" N 52 4.200 -0.331 4.228 19657 62 1 11 "Average Difference" HA 53 0.298 0.088 0.288 19657 63 1 11 "Average Difference" C 51 2.969 2.666 1.320 19657 64 1 11 "Average Difference" CA 52 3.417 3.118 1.411 19657 65 1 11 "Average Difference" CB 48 4.482 1.358 4.317 19657 66 1 11 "Average Difference" HN 52 0.669 -0.067 0.672 19657 67 1 12 "Average Difference" N 52 4.271 -0.366 4.297 19657 68 1 12 "Average Difference" HA 53 0.311 0.124 0.288 19657 69 1 12 "Average Difference" C 51 2.962 2.664 1.308 19657 70 1 12 "Average Difference" CA 52 3.336 3.021 1.428 19657 71 1 12 "Average Difference" CB 48 4.595 1.446 4.408 19657 72 1 12 "Average Difference" HN 52 0.635 -0.026 0.641 19657 73 1 13 "Average Difference" N 52 4.328 -0.414 4.350 19657 74 1 13 "Average Difference" HA 53 0.304 0.079 0.296 19657 75 1 13 "Average Difference" C 51 2.942 2.629 1.333 19657 76 1 13 "Average Difference" CA 52 3.289 3.018 1.318 19657 77 1 13 "Average Difference" CB 48 4.474 1.438 4.282 19657 78 1 13 "Average Difference" HN 52 0.656 -0.024 0.662 19657 79 1 14 "Average Difference" N 52 4.229 -0.011 4.270 19657 80 1 14 "Average Difference" HA 53 0.291 0.088 0.280 19657 81 1 14 "Average Difference" C 51 2.946 2.622 1.356 19657 82 1 14 "Average Difference" CA 52 3.343 3.016 1.457 19657 83 1 14 "Average Difference" CB 48 4.553 1.410 4.375 19657 84 1 14 "Average Difference" HN 52 0.645 -0.059 0.648 19657 85 1 15 "Average Difference" N 52 4.292 -0.199 4.329 19657 86 1 15 "Average Difference" HA 53 0.289 0.090 0.277 19657 87 1 15 "Average Difference" C 51 2.987 2.649 1.393 19657 88 1 15 "Average Difference" CA 52 3.345 3.067 1.349 19657 89 1 15 "Average Difference" CB 48 4.531 1.364 4.367 19657 90 1 15 "Average Difference" HN 52 0.630 -0.036 0.635 19657 91 1 16 "Average Difference" N 52 4.273 -0.617 4.269 19657 92 1 16 "Average Difference" HA 53 0.314 0.135 0.286 19657 93 1 16 "Average Difference" C 51 2.932 2.635 1.299 19657 94 1 16 "Average Difference" CA 52 3.357 3.037 1.446 19657 95 1 16 "Average Difference" CB 48 4.466 1.482 4.257 19657 96 1 16 "Average Difference" HN 52 0.675 -0.047 0.679 19657 97 1 17 "Average Difference" N 52 4.289 0.132 4.328 19657 98 1 17 "Average Difference" HA 53 0.304 0.091 0.293 19657 99 1 17 "Average Difference" C 51 2.957 2.695 1.228 19657 100 1 17 "Average Difference" CA 52 3.360 3.060 1.401 19657 101 1 17 "Average Difference" CB 48 4.739 1.321 4.600 19657 102 1 17 "Average Difference" HN 52 0.665 -0.020 0.671 19657 103 1 18 "Average Difference" N 52 4.136 -0.190 4.172 19657 104 1 18 "Average Difference" HA 53 0.301 0.113 0.281 19657 105 1 18 "Average Difference" C 51 2.973 2.663 1.336 19657 106 1 18 "Average Difference" CA 52 3.327 3.061 1.318 19657 107 1 18 "Average Difference" CB 48 4.406 1.475 4.196 19657 108 1 18 "Average Difference" HN 52 0.623 -0.016 0.628 19657 109 1 19 "Average Difference" N 52 4.075 -0.219 4.108 19657 110 1 19 "Average Difference" HA 53 0.306 0.122 0.284 19657 111 1 19 "Average Difference" C 51 3.030 2.708 1.372 19657 112 1 19 "Average Difference" CA 52 3.350 3.032 1.437 19657 113 1 19 "Average Difference" CB 48 4.522 1.330 4.367 19657 114 1 19 "Average Difference" HN 52 0.647 -0.071 0.649 19657 115 1 20 "Average Difference" N 52 4.274 -0.176 4.312 19657 116 1 20 "Average Difference" HA 53 0.295 0.094 0.282 19657 117 1 20 "Average Difference" C 51 2.997 2.676 1.363 19657 118 1 20 "Average Difference" CA 52 3.405 3.067 1.493 19657 119 1 20 "Average Difference" CB 48 4.518 1.341 4.360 19657 120 1 20 "Average Difference" HN 52 0.621 -0.019 0.626 19657 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 19657 _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 LYS N N 2 119.803 119.803 119.339 0.464 19657 2 1 . 1 1 2 2 LYS HA H 2 5.249 5.249 4.847 0.402 19657 3 1 . 1 1 2 2 LYS C C 2 172.912 172.912 175.209 -2.297 19657 4 1 . 1 1 2 2 LYS CA C 2 52.189 52.189 55.160 -2.971 19657 5 1 . 1 1 2 2 LYS CB C 2 31.708 31.708 33.660 -1.952 19657 6 1 . 1 1 2 2 LYS H H 2 8.180 8.180 7.548 0.632 19657 7 1 . 1 1 3 3 TYR N N 3 122.744 122.744 123.203 -0.459 19657 8 1 . 1 1 3 3 TYR HA H 3 4.796 4.796 4.760 0.036 19657 9 1 . 1 1 3 3 TYR C C 3 172.523 172.523 175.111 -2.588 19657 10 1 . 1 1 3 3 TYR CA C 3 53.741 53.741 57.012 -3.271 19657 11 1 . 1 1 3 3 TYR CB C 3 39.690 39.690 40.935 -1.245 19657 12 1 . 1 1 3 3 TYR H H 3 8.951 8.951 8.340 0.611 19657 13 1 . 1 1 4 4 THR N N 4 117.010 117.010 119.515 -2.506 19657 14 1 . 1 1 4 4 THR HA H 4 5.012 5.012 4.680 0.332 19657 15 1 . 1 1 4 4 THR C C 4 171.489 171.489 174.084 -2.595 19657 16 1 . 1 1 4 4 THR CA C 4 58.808 58.808 61.200 -2.393 19657 17 1 . 1 1 4 4 THR CB C 4 67.837 67.837 69.795 -1.958 19657 18 1 . 1 1 4 4 THR H H 4 8.870 8.870 8.644 0.226 19657 19 1 . 1 1 5 5 GLY N N 5 115.340 115.340 113.136 2.204 19657 20 1 . 1 1 5 5 GLY C C 5 171.505 171.505 172.075 -0.571 19657 21 1 . 1 1 5 5 GLY CA C 5 42.066 42.066 44.632 -2.566 19657 22 1 . 1 1 5 5 GLY H H 5 9.116 9.116 7.984 1.132 19657 23 1 . 1 1 6 6 LYS N N 6 121.120 121.120 119.613 1.507 19657 24 1 . 1 1 6 6 LYS HA H 6 5.389 5.389 5.258 0.131 19657 25 1 . 1 1 6 6 LYS C C 6 174.162 174.162 175.797 -1.635 19657 26 1 . 1 1 6 6 LYS CA C 6 51.644 51.644 54.804 -3.159 19657 27 1 . 1 1 6 6 LYS CB C 6 34.997 34.997 36.097 -1.100 19657 28 1 . 1 1 6 6 LYS H H 6 8.408 8.408 8.152 0.256 19657 29 1 . 1 1 7 7 CYS N N 7 122.530 122.530 119.197 3.333 19657 30 1 . 1 1 7 7 CYS HA H 7 6.332 6.332 5.681 0.651 19657 31 1 . 1 1 7 7 CYS C C 7 169.635 169.635 173.793 -4.158 19657 32 1 . 1 1 7 7 CYS CA C 7 50.410 50.410 55.717 -5.307 19657 33 1 . 1 1 7 7 CYS CB C 7 42.645 42.645 31.467 11.178 19657 34 1 . 1 1 7 7 CYS H H 7 9.795 9.795 8.333 1.462 19657 35 1 . 1 1 8 8 THR N N 8 112.909 112.909 113.721 -0.812 19657 36 1 . 1 1 8 8 THR HA H 8 4.690 4.690 4.767 -0.077 19657 37 1 . 1 1 8 8 THR C C 8 172.048 172.048 175.142 -3.094 19657 38 1 . 1 1 8 8 THR CA C 8 57.291 57.291 60.189 -2.898 19657 39 1 . 1 1 8 8 THR CB C 8 68.608 68.608 71.501 -2.893 19657 40 1 . 1 1 8 8 THR H H 8 8.630 8.630 8.070 0.560 19657 41 1 . 1 1 9 9 LYS N N 9 127.151 127.151 123.500 3.651 19657 42 1 . 1 1 9 9 LYS HA H 9 3.558 3.558 4.206 -0.648 19657 43 1 . 1 1 9 9 LYS C C 9 176.697 176.697 176.902 -0.205 19657 44 1 . 1 1 9 9 LYS CA C 9 57.196 57.196 58.350 -1.154 19657 45 1 . 1 1 9 9 LYS CB C 9 31.079 31.079 32.089 -1.010 19657 46 1 . 1 1 9 9 LYS H H 9 8.916 8.916 8.659 0.257 19657 47 1 . 1 1 10 10 SER N N 10 116.323 116.323 115.036 1.287 19657 48 1 . 1 1 10 10 SER C C 10 176.174 176.174 175.321 0.853 19657 49 1 . 1 1 10 10 SER CA C 10 59.045 59.045 60.396 -1.351 19657 50 1 . 1 1 10 10 SER H H 10 9.391 9.391 8.060 1.331 19657 51 1 . 1 1 11 11 LYS N N 11 116.908 116.908 119.686 -2.778 19657 52 1 . 1 1 11 11 LYS HA H 11 4.151 4.151 4.356 -0.205 19657 53 1 . 1 1 11 11 LYS C C 11 173.027 173.027 176.315 -3.288 19657 54 1 . 1 1 11 11 LYS CA C 11 53.362 53.362 55.910 -2.548 19657 55 1 . 1 1 11 11 LYS CB C 11 30.550 30.550 32.541 -1.991 19657 56 1 . 1 1 11 11 LYS H H 11 7.079 7.079 8.101 -1.022 19657 57 1 . 1 1 12 12 ASN N N 12 120.313 120.313 117.444 2.869 19657 58 1 . 1 1 12 12 ASN HA H 12 4.585 4.585 4.496 0.089 19657 59 1 . 1 1 12 12 ASN C C 12 171.411 171.411 173.263 -1.852 19657 60 1 . 1 1 12 12 ASN CA C 12 50.874 50.874 54.295 -3.421 19657 61 1 . 1 1 12 12 ASN CB C 12 34.483 34.483 37.477 -2.994 19657 62 1 . 1 1 12 12 ASN H H 12 7.589 7.589 8.040 -0.451 19657 63 1 . 1 1 13 13 GLU N N 13 114.653 114.653 116.027 -1.374 19657 64 1 . 1 1 13 13 GLU HA H 13 4.874 4.874 4.825 0.049 19657 65 1 . 1 1 13 13 GLU C C 13 170.929 170.929 174.617 -3.688 19657 66 1 . 1 1 13 13 GLU CA C 13 52.029 52.029 54.578 -2.549 19657 67 1 . 1 1 13 13 GLU CB C 13 33.773 33.773 33.158 0.615 19657 68 1 . 1 1 13 13 GLU H H 13 7.237 7.237 7.730 -0.493 19657 69 1 . 1 1 14 14 CYS N N 14 123.273 123.273 123.274 -0.001 19657 70 1 . 1 1 14 14 CYS HA H 14 4.632 4.632 5.007 -0.375 19657 71 1 . 1 1 14 14 CYS C C 14 168.900 168.900 173.404 -4.504 19657 72 1 . 1 1 14 14 CYS CA C 14 51.114 51.114 57.335 -6.221 19657 73 1 . 1 1 14 14 CYS CB C 14 39.542 39.542 30.450 9.092 19657 74 1 . 1 1 14 14 CYS H H 14 9.637 9.637 9.090 0.547 19657 75 1 . 1 1 15 15 LYS N N 15 111.712 111.712 123.685 -11.973 19657 76 1 . 1 1 15 15 LYS HA H 15 4.928 4.928 5.291 -0.363 19657 77 1 . 1 1 15 15 LYS C C 15 172.655 172.655 174.631 -1.976 19657 78 1 . 1 1 15 15 LYS CA C 15 51.435 51.435 55.200 -3.765 19657 79 1 . 1 1 15 15 LYS CB C 15 31.472 31.472 34.778 -3.305 19657 80 1 . 1 1 15 15 LYS H H 15 8.620 8.620 8.560 0.060 19657 81 1 . 1 1 16 16 TYR N N 16 126.641 126.641 120.938 5.703 19657 82 1 . 1 1 16 16 TYR HA H 16 4.905 4.905 5.028 -0.123 19657 83 1 . 1 1 16 16 TYR C C 16 168.924 168.924 173.513 -4.589 19657 84 1 . 1 1 16 16 TYR CA C 16 52.093 52.093 55.377 -3.284 19657 85 1 . 1 1 16 16 TYR CB C 16 38.479 38.479 41.722 -3.243 19657 86 1 . 1 1 16 16 TYR H H 16 8.993 8.993 8.995 -0.002 19657 87 1 . 1 1 17 17 LYS N N 17 120.730 120.730 121.697 -0.967 19657 88 1 . 1 1 17 17 LYS HA H 17 4.414 4.414 4.808 -0.393 19657 89 1 . 1 1 17 17 LYS C C 17 173.386 173.386 176.201 -2.815 19657 90 1 . 1 1 17 17 LYS CA C 17 51.694 51.694 55.040 -3.346 19657 91 1 . 1 1 17 17 LYS CB C 17 30.894 30.894 34.111 -3.217 19657 92 1 . 1 1 17 17 LYS H H 17 8.414 8.414 8.714 -0.300 19657 93 1 . 1 1 18 18 ASN N N 18 122.104 122.104 123.012 -0.908 19657 94 1 . 1 1 18 18 ASN HA H 18 4.096 4.096 4.171 -0.075 19657 95 1 . 1 1 18 18 ASN C C 18 173.990 173.990 176.459 -2.469 19657 96 1 . 1 1 18 18 ASN CA C 18 48.158 48.158 51.974 -3.816 19657 97 1 . 1 1 18 18 ASN CB C 18 35.143 35.143 39.164 -4.021 19657 98 1 . 1 1 18 18 ASN H H 18 7.729 7.729 8.023 -0.294 19657 99 1 . 1 1 19 19 ASP N N 19 117.316 117.316 119.385 -2.069 19657 100 1 . 1 1 19 19 ASP HA H 19 4.373 4.373 4.473 -0.101 19657 101 1 . 1 1 19 19 ASP C C 19 173.929 173.929 176.800 -2.871 19657 102 1 . 1 1 19 19 ASP CA C 19 54.265 54.265 56.813 -2.548 19657 103 1 . 1 1 19 19 ASP CB C 19 37.359 37.359 40.340 -2.980 19657 104 1 . 1 1 19 19 ASP H H 19 8.231 8.231 8.756 -0.525 19657 105 1 . 1 1 20 20 ALA N N 20 120.814 120.814 120.778 0.036 19657 106 1 . 1 1 20 20 ALA HA H 20 4.395 4.395 4.264 0.131 19657 107 1 . 1 1 20 20 ALA C C 20 174.854 174.854 178.336 -3.482 19657 108 1 . 1 1 20 20 ALA CA C 20 48.765 48.765 52.363 -3.598 19657 109 1 . 1 1 20 20 ALA CB C 20 16.013 16.013 19.060 -3.047 19657 110 1 . 1 1 20 20 ALA H H 20 7.413 7.413 8.161 -0.748 19657 111 1 . 1 1 21 21 GLY N N 21 126.585 126.585 105.912 20.673 19657 112 1 . 1 1 21 21 GLY C C 21 171.015 171.015 174.205 -3.190 19657 113 1 . 1 1 21 21 GLY CA C 21 42.827 42.827 45.163 -2.336 19657 114 1 . 1 1 21 21 GLY H H 21 8.162 8.162 8.046 0.116 19657 115 1 . 1 1 22 22 LYS N N 22 120.322 120.322 121.486 -1.164 19657 116 1 . 1 1 22 22 LYS HA H 22 4.317 4.317 4.286 0.031 19657 117 1 . 1 1 22 22 LYS C C 22 174.076 174.076 175.305 -1.229 19657 118 1 . 1 1 22 22 LYS CA C 22 51.436 51.436 55.879 -4.443 19657 119 1 . 1 1 22 22 LYS CB C 22 30.576 30.576 33.224 -2.648 19657 120 1 . 1 1 22 22 LYS H H 22 7.676 7.676 7.719 -0.043 19657 121 1 . 1 1 23 23 ASP N N 23 126.455 126.455 121.807 4.648 19657 122 1 . 1 1 23 23 ASP HA H 23 4.262 4.262 4.585 -0.323 19657 123 1 . 1 1 23 23 ASP C C 23 172.391 172.391 175.825 -3.434 19657 124 1 . 1 1 23 23 ASP CA C 23 52.973 52.973 54.306 -1.333 19657 125 1 . 1 1 23 23 ASP CB C 23 38.123 38.123 41.212 -3.089 19657 126 1 . 1 1 23 23 ASP H H 23 8.619 8.619 8.415 0.205 19657 127 1 . 1 1 24 24 THR N N 24 122.762 122.762 119.875 2.887 19657 128 1 . 1 1 24 24 THR HA H 24 4.009 4.009 4.416 -0.407 19657 129 1 . 1 1 24 24 THR C C 24 167.562 167.562 172.840 -5.278 19657 130 1 . 1 1 24 24 THR CA C 24 59.223 59.223 61.067 -1.844 19657 131 1 . 1 1 24 24 THR CB C 24 67.985 67.985 70.445 -2.460 19657 132 1 . 1 1 24 24 THR H H 24 8.773 8.773 8.700 0.073 19657 133 1 . 1 1 25 25 PHE N N 25 122.224 122.224 124.032 -1.808 19657 134 1 . 1 1 25 25 PHE HA H 25 5.382 5.382 5.476 -0.094 19657 135 1 . 1 1 25 25 PHE C C 25 172.781 172.781 174.172 -1.391 19657 136 1 . 1 1 25 25 PHE CA C 25 53.597 53.597 55.316 -1.719 19657 137 1 . 1 1 25 25 PHE CB C 25 39.245 39.245 41.131 -1.886 19657 138 1 . 1 1 25 25 PHE H H 25 8.314 8.314 7.744 0.570 19657 139 1 . 1 1 26 26 ILE N N 26 123.050 123.050 123.620 -0.570 19657 140 1 . 1 1 26 26 ILE HA H 26 4.616 4.616 4.577 0.039 19657 141 1 . 1 1 26 26 ILE C C 26 170.373 170.373 174.266 -3.893 19657 142 1 . 1 1 26 26 ILE CA C 26 56.844 56.844 59.392 -2.548 19657 143 1 . 1 1 26 26 ILE CB C 26 39.475 39.475 42.775 -3.300 19657 144 1 . 1 1 26 26 ILE H H 26 9.093 9.093 9.048 0.045 19657 145 1 . 1 1 27 27 LYS N N 27 126.928 126.928 125.107 1.821 19657 146 1 . 1 1 27 27 LYS HA H 27 4.191 4.191 4.352 -0.161 19657 147 1 . 1 1 27 27 LYS C C 27 174.551 174.551 175.685 -1.134 19657 148 1 . 1 1 27 27 LYS CA C 27 55.166 55.166 56.123 -0.957 19657 149 1 . 1 1 27 27 LYS CB C 27 29.580 29.580 32.392 -2.812 19657 150 1 . 1 1 27 27 LYS H H 27 8.309 8.309 8.279 0.030 19657 151 1 . 1 1 28 28 CYS N N 28 119.357 119.357 122.498 -3.141 19657 152 1 . 1 1 28 28 CYS HA H 28 4.572 4.572 4.882 -0.310 19657 153 1 . 1 1 28 28 CYS C C 28 169.287 169.287 173.019 -3.732 19657 154 1 . 1 1 28 28 CYS CA C 28 52.541 52.541 57.242 -4.701 19657 155 1 . 1 1 28 28 CYS CB C 28 38.587 38.587 28.427 10.160 19657 156 1 . 1 1 28 28 CYS H H 28 8.414 8.414 8.555 -0.141 19657 157 1 . 1 1 30 30 LYS N N 30 116.481 116.481 119.749 -3.268 19657 158 1 . 1 1 30 30 LYS HA H 30 3.956 3.956 4.311 -0.355 19657 159 1 . 1 1 30 30 LYS C C 30 173.819 173.819 176.163 -2.344 19657 160 1 . 1 1 30 30 LYS CA C 30 53.497 53.497 56.339 -2.842 19657 161 1 . 1 1 30 30 LYS CB C 30 30.090 30.090 32.377 -2.287 19657 162 1 . 1 1 30 30 LYS H H 30 8.004 8.004 8.457 -0.453 19657 163 1 . 1 1 31 31 PHE N N 31 116.963 116.963 118.828 -1.865 19657 164 1 . 1 1 31 31 PHE HA H 31 4.477 4.477 4.505 -0.028 19657 165 1 . 1 1 31 31 PHE C C 31 173.518 173.518 177.193 -3.675 19657 166 1 . 1 1 31 31 PHE CA C 31 54.044 54.044 58.044 -4.000 19657 167 1 . 1 1 31 31 PHE CB C 31 37.643 37.643 40.080 -2.436 19657 168 1 . 1 1 31 31 PHE H H 31 6.424 6.424 7.805 -1.381 19657 169 1 . 1 1 32 32 ASP N N 32 121.612 121.612 122.191 -0.579 19657 170 1 . 1 1 32 32 ASP HA H 32 4.136 4.136 4.418 -0.282 19657 171 1 . 1 1 32 32 ASP C C 32 173.688 173.688 177.082 -3.394 19657 172 1 . 1 1 32 32 ASP CA C 32 54.793 54.793 56.687 -1.894 19657 173 1 . 1 1 32 32 ASP CB C 32 37.892 37.892 40.802 -2.910 19657 174 1 . 1 1 32 32 ASP H H 32 8.800 8.800 8.856 -0.056 19657 175 1 . 1 1 33 33 ASN N N 33 113.168 113.168 116.854 -3.686 19657 176 1 . 1 1 33 33 ASN HA H 33 4.563 4.563 4.619 -0.056 19657 177 1 . 1 1 33 33 ASN C C 33 172.656 172.656 175.238 -2.582 19657 178 1 . 1 1 33 33 ASN CA C 33 51.362 51.362 54.383 -3.021 19657 179 1 . 1 1 33 33 ASN CB C 33 34.754 34.754 38.947 -4.193 19657 180 1 . 1 1 33 33 ASN H H 33 8.455 8.455 8.437 0.018 19657 181 1 . 1 1 34 34 LYS N N 34 117.622 117.622 118.218 -0.596 19657 182 1 . 1 1 34 34 LYS HA H 34 4.864 4.864 4.554 0.310 19657 183 1 . 1 1 34 34 LYS C C 34 171.666 171.666 173.912 -2.246 19657 184 1 . 1 1 34 34 LYS CA C 34 52.148 52.148 56.220 -4.072 19657 185 1 . 1 1 34 34 LYS CB C 34 32.813 32.813 35.061 -2.248 19657 186 1 . 1 1 34 34 LYS H H 34 7.676 7.676 7.739 -0.064 19657 187 1 . 1 1 35 35 LYS N N 35 116.880 116.880 118.402 -1.522 19657 188 1 . 1 1 35 35 LYS HA H 35 4.499 4.499 4.709 -0.210 19657 189 1 . 1 1 35 35 LYS C C 35 172.133 172.133 174.412 -2.279 19657 190 1 . 1 1 35 35 LYS CA C 35 52.155 52.155 54.932 -2.777 19657 191 1 . 1 1 35 35 LYS CB C 35 30.775 30.775 35.554 -4.779 19657 192 1 . 1 1 35 35 LYS H H 35 6.927 6.927 7.895 -0.968 19657 193 1 . 1 1 36 36 CYS N N 36 117.678 117.678 119.956 -2.278 19657 194 1 . 1 1 36 36 CYS HA H 36 4.687 4.687 4.817 -0.130 19657 195 1 . 1 1 36 36 CYS C C 36 174.909 174.909 176.261 -1.352 19657 196 1 . 1 1 36 36 CYS CA C 36 53.356 53.356 58.896 -5.540 19657 197 1 . 1 1 36 36 CYS CB C 36 38.703 38.703 26.682 12.021 19657 198 1 . 1 1 36 36 CYS H H 36 8.572 8.572 8.719 -0.147 19657 199 1 . 1 1 37 37 THR N N 37 121.872 121.872 118.490 3.382 19657 200 1 . 1 1 37 37 THR HA H 37 4.219 4.219 4.347 -0.128 19657 201 1 . 1 1 37 37 THR C C 37 172.565 172.565 174.072 -1.507 19657 202 1 . 1 1 37 37 THR CA C 37 60.478 60.478 63.070 -2.592 19657 203 1 . 1 1 37 37 THR CB C 37 68.235 68.235 69.494 -1.259 19657 204 1 . 1 1 37 37 THR H H 37 10.105 10.105 8.634 1.471 19657 205 1 . 1 1 38 38 LYS N N 38 122.020 122.020 120.358 1.662 19657 206 1 . 1 1 38 38 LYS HA H 38 4.155 4.155 4.540 -0.385 19657 207 1 . 1 1 38 38 LYS C C 38 170.713 170.713 174.549 -3.836 19657 208 1 . 1 1 38 38 LYS CA C 38 53.865 53.865 54.607 -0.742 19657 209 1 . 1 1 38 38 LYS CB C 38 32.499 32.499 35.880 -3.381 19657 210 1 . 1 1 38 38 LYS H H 38 7.258 7.258 7.604 -0.346 19657 211 1 . 1 1 39 39 ASP N N 39 124.776 124.776 120.571 4.205 19657 212 1 . 1 1 39 39 ASP HA H 39 4.577 4.577 4.593 -0.016 19657 213 1 . 1 1 39 39 ASP C C 39 175.068 175.068 176.519 -1.451 19657 214 1 . 1 1 39 39 ASP CA C 39 54.033 54.033 54.590 -0.557 19657 215 1 . 1 1 39 39 ASP CB C 39 37.454 37.454 41.383 -3.929 19657 216 1 . 1 1 39 39 ASP H H 39 8.783 8.783 8.433 0.350 19657 217 1 . 1 1 40 40 ASN N N 40 114.764 114.764 116.156 -1.392 19657 218 1 . 1 1 40 40 ASN HA H 40 4.262 4.262 4.281 -0.019 19657 219 1 . 1 1 40 40 ASN C C 40 171.530 171.530 174.665 -3.135 19657 220 1 . 1 1 40 40 ASN CA C 40 52.975 52.975 54.430 -1.455 19657 221 1 . 1 1 40 40 ASN CB C 40 34.180 34.180 38.289 -4.109 19657 222 1 . 1 1 40 40 ASN H H 40 9.467 9.467 8.478 0.989 19657 223 1 . 1 1 41 41 ASN N N 41 120.183 120.183 116.111 4.072 19657 224 1 . 1 1 41 41 ASN HA H 41 4.675 4.675 4.537 0.138 19657 225 1 . 1 1 41 41 ASN C C 41 171.964 171.964 174.896 -2.932 19657 226 1 . 1 1 41 41 ASN CA C 41 49.368 49.368 54.503 -5.135 19657 227 1 . 1 1 41 41 ASN CB C 41 36.398 36.398 39.511 -3.113 19657 228 1 . 1 1 41 41 ASN H H 41 7.729 7.729 7.929 -0.200 19657 229 1 . 1 1 42 42 LYS N N 42 119.700 119.700 117.870 1.830 19657 230 1 . 1 1 42 42 LYS HA H 42 4.355 4.355 5.122 -0.767 19657 231 1 . 1 1 42 42 LYS CA C 42 54.550 54.550 55.082 -0.532 19657 232 1 . 1 1 42 42 LYS CB C 42 30.627 30.627 35.803 -5.176 19657 233 1 . 1 1 42 42 LYS H H 42 8.496 8.496 8.293 0.203 19657 234 1 . 1 1 43 43 CYS N N 43 113.920 113.920 118.811 -4.891 19657 235 1 . 1 1 43 43 CYS HA H 43 5.344 5.344 5.498 -0.154 19657 236 1 . 1 1 43 43 CYS C C 43 169.725 169.725 173.570 -3.844 19657 237 1 . 1 1 43 43 CYS CA C 43 50.891 50.891 56.318 -5.427 19657 238 1 . 1 1 43 43 CYS H H 43 7.542 7.542 9.277 -1.735 19657 239 1 . 1 1 44 44 THR N N 44 113.141 113.141 114.381 -1.240 19657 240 1 . 1 1 44 44 THR HA H 44 5.229 5.229 5.099 0.130 19657 241 1 . 1 1 44 44 THR C C 44 169.993 169.993 173.303 -3.310 19657 242 1 . 1 1 44 44 THR CA C 44 57.308 57.308 61.071 -3.763 19657 243 1 . 1 1 44 44 THR CB C 44 69.607 69.607 71.548 -1.941 19657 244 1 . 1 1 44 44 THR H H 44 8.987 8.987 8.873 0.114 19657 245 1 . 1 1 45 45 VAL N N 45 121.909 121.909 122.920 -1.011 19657 246 1 . 1 1 45 45 VAL HA H 45 4.487 4.487 4.682 -0.195 19657 247 1 . 1 1 45 45 VAL C C 45 171.182 171.182 173.699 -2.517 19657 248 1 . 1 1 45 45 VAL CA C 45 58.069 58.069 61.298 -3.229 19657 249 1 . 1 1 45 45 VAL CB C 45 33.384 33.384 34.947 -1.563 19657 250 1 . 1 1 45 45 VAL H H 45 8.571 8.571 8.110 0.461 19657 251 1 . 1 1 46 46 ASP N N 46 126.446 126.446 126.261 0.185 19657 252 1 . 1 1 46 46 ASP HA H 46 5.327 5.327 5.397 -0.070 19657 253 1 . 1 1 46 46 ASP C C 46 175.630 175.630 176.753 -1.123 19657 254 1 . 1 1 46 46 ASP CA C 46 49.255 49.255 52.506 -3.251 19657 255 1 . 1 1 46 46 ASP CB C 46 40.051 40.051 44.727 -4.676 19657 256 1 . 1 1 46 46 ASP H H 46 8.566 8.566 8.453 0.113 19657 257 1 . 1 1 47 47 THR N N 47 114.273 114.273 119.614 -5.341 19657 258 1 . 1 1 47 47 THR HA H 47 4.185 4.185 4.360 -0.175 19657 259 1 . 1 1 47 47 THR C C 47 173.322 173.322 175.282 -1.960 19657 260 1 . 1 1 47 47 THR CA C 47 60.559 60.559 64.286 -3.727 19657 261 1 . 1 1 47 47 THR CB C 47 66.582 66.582 69.241 -2.660 19657 262 1 . 1 1 47 47 THR H H 47 9.087 9.087 8.625 0.462 19657 263 1 . 1 1 48 48 TYR N N 48 123.848 123.848 121.495 2.353 19657 264 1 . 1 1 48 48 TYR HA H 48 4.393 4.393 4.386 0.007 19657 265 1 . 1 1 48 48 TYR C C 48 173.776 173.776 176.647 -2.871 19657 266 1 . 1 1 48 48 TYR CA C 48 57.619 57.619 60.891 -3.272 19657 267 1 . 1 1 48 48 TYR CB C 48 35.817 35.817 38.940 -3.123 19657 268 1 . 1 1 48 48 TYR H H 48 8.818 8.818 8.301 0.517 19657 269 1 . 1 1 49 49 ASN N N 49 113.642 113.642 114.404 -0.762 19657 270 1 . 1 1 49 49 ASN HA H 49 4.465 4.465 4.736 -0.271 19657 271 1 . 1 1 49 49 ASN C C 49 172.356 172.356 174.651 -2.295 19657 272 1 . 1 1 49 49 ASN CA C 49 49.231 49.231 53.013 -3.782 19657 273 1 . 1 1 49 49 ASN CB C 49 34.484 34.484 38.872 -4.388 19657 274 1 . 1 1 49 49 ASN H H 49 7.460 7.460 8.184 -0.724 19657 275 1 . 1 1 50 50 ASN N N 50 117.167 117.167 116.624 0.543 19657 276 1 . 1 1 50 50 ASN HA H 50 4.190 4.190 4.451 -0.261 19657 277 1 . 1 1 50 50 ASN C C 50 170.581 170.581 173.481 -2.900 19657 278 1 . 1 1 50 50 ASN CA C 50 51.663 51.663 54.331 -2.668 19657 279 1 . 1 1 50 50 ASN CB C 50 34.202 34.202 37.073 -2.871 19657 280 1 . 1 1 50 50 ASN H H 50 7.886 7.886 7.940 -0.054 19657 281 1 . 1 1 51 51 ALA N N 51 121.083 121.083 120.628 0.455 19657 282 1 . 1 1 51 51 ALA HA H 51 4.432 4.432 4.572 -0.140 19657 283 1 . 1 1 51 51 ALA C C 51 174.002 174.002 175.787 -1.785 19657 284 1 . 1 1 51 51 ALA CA C 51 49.603 49.603 51.440 -1.837 19657 285 1 . 1 1 51 51 ALA CB C 51 17.688 17.688 21.015 -3.327 19657 286 1 . 1 1 51 51 ALA H H 51 7.843 7.843 7.492 0.351 19657 287 1 . 1 1 52 52 VAL N N 52 125.592 125.592 121.344 4.248 19657 288 1 . 1 1 52 52 VAL HA H 52 4.899 4.899 5.138 -0.239 19657 289 1 . 1 1 52 52 VAL C C 52 171.449 171.449 174.679 -3.230 19657 290 1 . 1 1 52 52 VAL CA C 52 57.894 57.894 60.359 -2.465 19657 291 1 . 1 1 52 52 VAL CB C 52 32.369 32.369 34.884 -2.515 19657 292 1 . 1 1 52 52 VAL H H 52 8.241 8.241 8.343 -0.102 19657 293 1 . 1 1 53 53 ASP N N 53 125.731 125.731 126.505 -0.774 19657 294 1 . 1 1 53 53 ASP HA H 53 4.923 4.923 4.957 -0.034 19657 295 1 . 1 1 53 53 ASP C C 53 172.314 172.314 174.457 -2.143 19657 296 1 . 1 1 53 53 ASP CA C 53 50.331 50.331 53.510 -3.179 19657 297 1 . 1 1 53 53 ASP CB C 53 40.762 40.762 44.545 -3.783 19657 298 1 . 1 1 53 53 ASP H H 53 8.613 8.613 8.783 -0.170 19657 299 1 . 1 1 54 54 CYS N N 54 122.864 122.864 122.619 0.245 19657 300 1 . 1 1 54 54 CYS HA H 54 4.634 4.634 4.698 -0.064 19657 301 1 . 1 1 54 54 CYS C C 54 167.690 167.690 174.504 -6.814 19657 302 1 . 1 1 54 54 CYS CA C 54 51.047 51.047 57.732 -6.685 19657 303 1 . 1 1 54 54 CYS CB C 54 41.549 41.549 29.997 11.552 19657 304 1 . 1 1 54 54 CYS H H 54 8.627 8.627 8.814 -0.187 19657 stop_ save_