data_25660 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25660 _Entry.PDB_ID 2N3Y 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 25660 _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 ASP N N 2 124.691 124.691 121.335 3.356 25660 2 1 1 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.923 -0.148 25660 3 1 1 . 1 1 2 2 ASP C C 2 175.662 175.662 175.615 0.047 25660 4 1 1 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.397 0.376 25660 5 1 1 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.332 -1.019 25660 6 1 1 . 1 1 2 2 ASP H H 2 9.541 9.541 8.415 1.126 25660 7 1 1 . 1 1 3 3 VAL N N 3 123.739 123.739 118.321 5.418 25660 8 1 1 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.895 -0.345 25660 9 1 1 . 1 1 3 3 VAL C C 3 177.302 177.302 177.489 -0.187 25660 10 1 1 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.930 0.016 25660 11 1 1 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.153 -0.188 25660 12 1 1 . 1 1 3 3 VAL H H 3 8.569 8.569 8.329 0.240 25660 13 1 1 . 1 1 4 4 GLU N N 4 120.310 120.310 118.690 1.620 25660 14 1 1 . 1 1 4 4 GLU HA H 4 4.008 4.008 4.126 -0.118 25660 15 1 1 . 1 1 4 4 GLU C C 4 180.515 180.515 179.271 1.244 25660 16 1 1 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.045 -0.082 25660 17 1 1 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.243 -0.764 25660 18 1 1 . 1 1 4 4 GLU H H 4 8.083 8.083 8.421 -0.338 25660 19 1 1 . 1 1 5 5 LYS N N 5 121.058 121.058 118.241 2.817 25660 20 1 1 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.153 -0.254 25660 21 1 1 . 1 1 5 5 LYS C C 5 180.515 180.515 178.320 2.195 25660 22 1 1 . 1 1 5 5 LYS CA C 5 59.459 59.459 57.837 1.622 25660 23 1 1 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.260 0.194 25660 24 1 1 . 1 1 5 5 LYS H H 5 8.096 8.096 7.900 0.196 25660 25 1 1 . 1 1 6 6 GLY N N 6 107.193 107.193 106.482 0.711 25660 26 1 1 . 1 1 6 6 GLY C C 6 174.012 174.012 175.243 -1.231 25660 27 1 1 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.392 0.086 25660 28 1 1 . 1 1 6 6 GLY H H 6 8.709 8.709 8.035 0.674 25660 29 1 1 . 1 1 7 7 LYS N N 7 124.124 124.124 119.982 4.142 25660 30 1 1 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.199 -1.039 25660 31 1 1 . 1 1 7 7 LYS C C 7 177.457 177.457 177.777 -0.320 25660 32 1 1 . 1 1 7 7 LYS CA C 7 59.052 59.052 58.636 0.416 25660 33 1 1 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.226 0.879 25660 34 1 1 . 1 1 7 7 LYS H H 7 8.039 8.039 7.948 0.091 25660 35 1 1 . 1 1 8 8 LYS N N 8 116.732 116.732 118.019 -1.287 25660 36 1 1 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.088 -0.273 25660 37 1 1 . 1 1 8 8 LYS C C 8 179.228 179.228 177.368 1.860 25660 38 1 1 . 1 1 8 8 LYS CA C 8 59.322 59.322 57.883 1.439 25660 39 1 1 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.522 0.293 25660 40 1 1 . 1 1 8 8 LYS H H 8 6.958 6.958 7.787 -0.829 25660 41 1 1 . 1 1 9 9 ILE N N 9 119.269 119.269 117.782 1.487 25660 42 1 1 . 1 1 9 9 ILE HA H 9 3.719 3.719 4.114 -0.395 25660 43 1 1 . 1 1 9 9 ILE C C 9 177.006 177.006 177.020 -0.014 25660 44 1 1 . 1 1 9 9 ILE CA C 9 65.105 65.105 60.948 4.157 25660 45 1 1 . 1 1 9 9 ILE CB C 9 37.562 37.562 38.327 -0.765 25660 46 1 1 . 1 1 9 9 ILE H H 9 7.681 7.681 7.579 0.102 25660 47 1 1 . 1 1 10 10 PHE N N 10 120.908 120.908 122.526 -1.618 25660 48 1 1 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.347 -0.374 25660 49 1 1 . 1 1 10 10 PHE C C 10 178.820 178.820 177.936 0.884 25660 50 1 1 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.845 0.319 25660 51 1 1 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.660 -0.283 25660 52 1 1 . 1 1 10 10 PHE H H 10 8.635 8.635 7.759 0.876 25660 53 1 1 . 1 1 11 11 ILE N N 11 121.053 121.053 117.364 3.689 25660 54 1 1 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.802 -0.486 25660 55 1 1 . 1 1 11 11 ILE C C 11 178.867 178.867 177.383 1.484 25660 56 1 1 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.534 1.088 25660 57 1 1 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.856 -0.239 25660 58 1 1 . 1 1 11 11 ILE H H 11 8.834 8.834 8.414 0.420 25660 59 1 1 . 1 1 12 12 MET N N 12 117.328 117.328 117.732 -0.404 25660 60 1 1 . 1 1 12 12 MET HA H 12 4.219 4.219 4.301 -0.082 25660 61 1 1 . 1 1 12 12 MET C C 12 177.972 177.972 177.285 0.687 25660 62 1 1 . 1 1 12 12 MET CA C 12 58.560 58.560 57.941 0.619 25660 63 1 1 . 1 1 12 12 MET CB C 12 33.675 33.675 33.249 0.426 25660 64 1 1 . 1 1 12 12 MET H H 12 8.047 8.047 7.319 0.728 25660 65 1 1 . 1 1 13 13 LYS N N 13 113.452 113.452 116.543 -3.091 25660 66 1 1 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.433 0.502 25660 67 1 1 . 1 1 13 13 LYS C C 13 177.353 177.353 176.934 0.419 25660 68 1 1 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.973 -0.713 25660 69 1 1 . 1 1 13 13 LYS CB C 13 35.199 35.199 33.889 1.310 25660 70 1 1 . 1 1 13 13 LYS H H 13 9.016 9.016 8.264 0.752 25660 71 1 1 . 1 1 14 14 CYS N N 14 115.390 115.390 116.464 -1.074 25660 72 1 1 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.512 0.784 25660 73 1 1 . 1 1 14 14 CYS C C 14 177.723 177.723 175.707 2.016 25660 74 1 1 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.819 -5.700 25660 75 1 1 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.826 7.958 25660 76 1 1 . 1 1 14 14 CYS H H 14 8.130 8.130 8.465 -0.335 25660 77 1 1 . 1 1 15 15 SER N N 15 114.347 114.347 117.744 -3.397 25660 78 1 1 . 1 1 15 15 SER HA H 15 3.768 3.768 4.118 -0.350 25660 79 1 1 . 1 1 15 15 SER C C 15 174.272 174.272 175.997 -1.725 25660 80 1 1 . 1 1 15 15 SER CA C 15 60.587 60.587 61.488 -0.901 25660 81 1 1 . 1 1 15 15 SER CB C 15 62.483 62.483 63.289 -0.806 25660 82 1 1 . 1 1 15 15 SER H H 15 7.297 7.297 8.148 -0.851 25660 83 1 1 . 1 1 16 16 GLN N N 16 120.608 120.608 119.084 1.524 25660 84 1 1 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.113 -0.204 25660 85 1 1 . 1 1 16 16 GLN C C 16 176.559 176.559 176.866 -0.307 25660 86 1 1 . 1 1 16 16 GLN CA C 16 57.938 57.938 58.208 -0.270 25660 87 1 1 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.092 -0.192 25660 88 1 1 . 1 1 16 16 GLN H H 16 8.879 8.879 8.544 0.335 25660 89 1 1 . 1 1 17 17 CYS N N 17 112.857 112.857 114.712 -1.855 25660 90 1 1 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.520 -0.436 25660 91 1 1 . 1 1 17 17 CYS C C 17 171.419 171.419 174.448 -3.029 25660 92 1 1 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.336 -5.369 25660 93 1 1 . 1 1 17 17 CYS CB C 17 38.172 38.172 29.905 8.267 25660 94 1 1 . 1 1 17 17 CYS H H 17 6.805 6.805 7.887 -1.082 25660 95 1 1 . 1 1 18 18 HIS N N 18 113.603 113.603 118.522 -4.919 25660 96 1 1 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.278 -1.656 25660 97 1 1 . 1 1 18 18 HIS CA C 18 53.514 53.514 55.823 -2.309 25660 98 1 1 . 1 1 18 18 HIS CB C 18 31.916 31.916 32.388 -0.472 25660 99 1 1 . 1 1 18 18 HIS H H 18 6.223 6.223 8.230 -2.007 25660 100 1 1 . 1 1 19 19 THR N N 19 109.280 109.280 113.559 -4.279 25660 101 1 1 . 1 1 19 19 THR HA H 19 4.413 4.413 4.847 -0.434 25660 102 1 1 . 1 1 19 19 THR C C 19 174.026 174.026 173.828 0.198 25660 103 1 1 . 1 1 19 19 THR CA C 19 58.557 58.557 61.486 -2.929 25660 104 1 1 . 1 1 19 19 THR CB C 19 71.176 71.176 71.479 -0.303 25660 105 1 1 . 1 1 19 19 THR H H 19 7.636 7.636 8.133 -0.497 25660 106 1 1 . 1 1 20 20 VAL N N 20 110.620 110.620 115.700 -5.080 25660 107 1 1 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.709 -0.944 25660 108 1 1 . 1 1 20 20 VAL C C 20 173.470 173.470 174.646 -1.176 25660 109 1 1 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.130 0.664 25660 110 1 1 . 1 1 20 20 VAL CB C 20 33.427 33.427 31.935 1.492 25660 111 1 1 . 1 1 20 20 VAL H H 20 7.675 7.675 8.506 -0.831 25660 112 1 1 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.331 -0.197 25660 113 1 1 . 1 1 21 21 GLU C C 21 177.538 177.538 176.161 1.377 25660 114 1 1 . 1 1 21 21 GLU CA C 21 56.452 56.452 55.551 0.901 25660 115 1 1 . 1 1 21 21 GLU CB C 21 29.646 29.646 31.141 -1.495 25660 116 1 1 . 1 1 22 22 LYS N N 22 126.123 126.123 128.354 -2.231 25660 117 1 1 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.991 -0.939 25660 118 1 1 . 1 1 22 22 LYS C C 22 177.538 177.538 177.510 0.028 25660 119 1 1 . 1 1 22 22 LYS CA C 22 57.749 57.749 57.815 -0.066 25660 120 1 1 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.554 -1.613 25660 121 1 1 . 1 1 22 22 LYS H H 22 8.717 8.717 8.688 0.029 25660 122 1 1 . 1 1 23 23 GLY N N 23 117.177 117.177 112.839 4.338 25660 123 1 1 . 1 1 23 23 GLY C C 23 174.531 174.531 174.542 -0.011 25660 124 1 1 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.908 -0.002 25660 125 1 1 . 1 1 23 23 GLY H H 23 9.078 9.078 8.813 0.265 25660 126 1 1 . 1 1 24 24 GLY N N 24 107.042 107.042 108.558 -1.516 25660 127 1 1 . 1 1 24 24 GLY C C 24 172.234 172.234 173.274 -1.040 25660 128 1 1 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.990 -0.844 25660 129 1 1 . 1 1 24 24 GLY H H 24 7.730 7.730 7.877 -0.147 25660 130 1 1 . 1 1 25 25 LYS N N 25 118.452 118.452 120.769 -2.317 25660 131 1 1 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.661 -0.828 25660 132 1 1 . 1 1 25 25 LYS C C 25 178.209 178.209 174.375 3.834 25660 133 1 1 . 1 1 25 25 LYS CA C 25 55.712 55.712 54.446 1.266 25660 134 1 1 . 1 1 25 25 LYS CB C 25 32.861 32.861 35.377 -2.515 25660 135 1 1 . 1 1 25 25 LYS H H 25 8.222 8.222 9.117 -0.895 25660 136 1 1 . 1 1 26 26 HIS N N 26 122.465 122.465 118.931 3.534 25660 137 1 1 . 1 1 26 26 HIS HA H 26 4.192 4.192 5.032 -0.840 25660 138 1 1 . 1 1 26 26 HIS C C 26 175.081 175.081 174.580 0.501 25660 139 1 1 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.946 -0.133 25660 140 1 1 . 1 1 26 26 HIS CB C 26 30.173 30.173 32.358 -2.185 25660 141 1 1 . 1 1 26 26 HIS H H 26 8.545 8.545 8.819 -0.274 25660 142 1 1 . 1 1 27 27 LYS N N 27 126.571 126.571 124.067 2.504 25660 143 1 1 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.712 -0.342 25660 144 1 1 . 1 1 27 27 LYS C C 27 175.781 175.781 176.539 -0.758 25660 145 1 1 . 1 1 27 27 LYS CA C 27 55.066 55.066 54.754 0.312 25660 146 1 1 . 1 1 27 27 LYS CB C 27 30.731 30.731 34.912 -4.181 25660 147 1 1 . 1 1 27 27 LYS H H 27 7.439 7.439 8.234 -0.795 25660 148 1 1 . 1 1 28 28 THR HA H 28 4.017 4.017 4.209 -0.192 25660 149 1 1 . 1 1 28 28 THR C C 28 174.931 174.931 175.464 -0.533 25660 150 1 1 . 1 1 28 28 THR CA C 28 67.083 67.083 64.373 2.710 25660 151 1 1 . 1 1 28 28 THR CB C 28 69.766 69.766 69.011 0.755 25660 152 1 1 . 1 1 29 29 GLY N N 29 106.150 106.150 107.906 -1.756 25660 153 1 1 . 1 1 29 29 GLY C C 29 169.328 169.328 171.475 -2.147 25660 154 1 1 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.883 -2.001 25660 155 1 1 . 1 1 29 29 GLY H H 29 7.548 7.548 7.499 0.049 25660 156 1 1 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.516 -0.926 25660 157 1 1 . 1 1 30 30 PRO CA C 30 60.269 60.269 61.779 -1.510 25660 158 1 1 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.405 -2.385 25660 159 1 1 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.620 -0.597 25660 160 1 1 . 1 1 31 31 ASN C C 31 176.303 176.303 176.133 0.170 25660 161 1 1 . 1 1 31 31 ASN CA C 31 54.344 54.344 53.163 1.181 25660 162 1 1 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.249 1.536 25660 163 1 1 . 1 1 31 31 ASN H H 31 10.198 10.198 7.720 2.478 25660 164 1 1 . 1 1 32 32 LEU N N 32 121.653 121.653 116.284 5.369 25660 165 1 1 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.857 0.010 25660 166 1 1 . 1 1 32 32 LEU C C 32 174.533 174.533 175.087 -0.554 25660 167 1 1 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.611 -2.324 25660 168 1 1 . 1 1 32 32 LEU CB C 32 42.520 42.520 40.592 1.928 25660 169 1 1 . 1 1 32 32 LEU H H 32 7.889 7.889 7.773 0.116 25660 170 1 1 . 1 1 33 33 HIS N N 33 119.860 119.860 119.946 -0.086 25660 171 1 1 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.316 -0.609 25660 172 1 1 . 1 1 33 33 HIS C C 33 176.992 176.992 176.100 0.892 25660 173 1 1 . 1 1 33 33 HIS CA C 33 60.491 60.491 57.867 2.624 25660 174 1 1 . 1 1 33 33 HIS CB C 33 28.223 28.223 28.454 -0.231 25660 175 1 1 . 1 1 33 33 HIS H H 33 7.445 7.445 7.820 -0.375 25660 176 1 1 . 1 1 34 34 GLY N N 34 114.645 114.645 114.816 -0.171 25660 177 1 1 . 1 1 34 34 GLY C C 34 174.473 174.473 175.345 -0.872 25660 178 1 1 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.605 0.108 25660 179 1 1 . 1 1 34 34 GLY H H 34 8.763 8.763 8.404 0.359 25660 180 1 1 . 1 1 35 35 LEU N N 35 117.774 117.774 120.187 -2.413 25660 181 1 1 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.101 -0.574 25660 182 1 1 . 1 1 35 35 LEU C C 35 176.507 176.507 176.313 0.194 25660 183 1 1 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.029 0.430 25660 184 1 1 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.333 1.475 25660 185 1 1 . 1 1 35 35 LEU H H 35 7.010 7.010 7.714 -0.704 25660 186 1 1 . 1 1 36 36 PHE N N 36 113.600 113.600 115.634 -2.034 25660 187 1 1 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.753 -0.905 25660 188 1 1 . 1 1 36 36 PHE C C 36 176.553 176.553 177.251 -0.698 25660 189 1 1 . 1 1 36 36 PHE CA C 36 59.702 59.702 58.915 0.787 25660 190 1 1 . 1 1 36 36 PHE CB C 36 36.223 36.223 39.573 -3.350 25660 191 1 1 . 1 1 36 36 PHE H H 36 8.694 8.694 7.844 0.850 25660 192 1 1 . 1 1 37 37 GLY N N 37 112.857 112.857 111.670 1.187 25660 193 1 1 . 1 1 37 37 GLY C C 37 173.382 173.382 173.390 -0.008 25660 194 1 1 . 1 1 37 37 GLY CA C 37 44.455 44.455 45.203 -0.748 25660 195 1 1 . 1 1 37 37 GLY H H 37 8.839 8.839 8.675 0.164 25660 196 1 1 . 1 1 38 38 ARG N N 38 124.035 124.035 118.283 5.752 25660 197 1 1 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.717 -0.268 25660 198 1 1 . 1 1 38 38 ARG C C 38 174.415 174.415 174.480 -0.065 25660 199 1 1 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.236 1.528 25660 200 1 1 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.734 -0.323 25660 201 1 1 . 1 1 38 38 ARG H H 38 8.215 8.215 7.457 0.758 25660 202 1 1 . 1 1 39 39 LYS N N 39 123.290 123.290 121.329 1.961 25660 203 1 1 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.067 0.780 25660 204 1 1 . 1 1 39 39 LYS C C 39 172.219 172.219 176.140 -3.921 25660 205 1 1 . 1 1 39 39 LYS CA C 39 55.199 55.199 55.709 -0.510 25660 206 1 1 . 1 1 39 39 LYS CB C 39 33.682 33.682 33.503 0.179 25660 207 1 1 . 1 1 39 39 LYS H H 39 8.147 8.147 8.475 -0.328 25660 208 1 1 . 1 1 40 40 THR N N 40 113.158 113.158 110.739 2.419 25660 209 1 1 . 1 1 40 40 THR HA H 40 4.463 4.463 4.754 -0.291 25660 210 1 1 . 1 1 40 40 THR C C 40 175.638 175.638 175.086 0.552 25660 211 1 1 . 1 1 40 40 THR CA C 40 61.920 61.920 59.991 1.929 25660 212 1 1 . 1 1 40 40 THR CB C 40 68.539 68.539 70.654 -2.115 25660 213 1 1 . 1 1 40 40 THR H H 40 7.804 7.804 8.240 -0.436 25660 214 1 1 . 1 1 41 41 GLY N N 41 111.811 111.811 109.098 2.713 25660 215 1 1 . 1 1 41 41 GLY C C 41 174.720 174.720 174.329 0.391 25660 216 1 1 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.563 -0.154 25660 217 1 1 . 1 1 41 41 GLY H H 41 9.040 9.040 8.259 0.781 25660 218 1 1 . 1 1 42 42 GLN N N 42 117.180 117.180 113.692 3.488 25660 219 1 1 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.322 0.032 25660 220 1 1 . 1 1 42 42 GLN C C 42 175.152 175.152 174.607 0.545 25660 221 1 1 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.257 -0.642 25660 222 1 1 . 1 1 42 42 GLN CB C 42 28.977 28.977 29.868 -0.891 25660 223 1 1 . 1 1 42 42 GLN H H 42 8.084 8.084 7.991 0.093 25660 224 1 1 . 1 1 43 43 ALA N N 43 125.825 125.825 125.811 0.014 25660 225 1 1 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.611 -0.075 25660 226 1 1 . 1 1 43 43 ALA C C 43 175.308 175.308 177.639 -2.331 25660 227 1 1 . 1 1 43 43 ALA CA C 43 49.991 49.991 51.066 -1.075 25660 228 1 1 . 1 1 43 43 ALA CB C 43 18.488 18.488 18.544 -0.056 25660 229 1 1 . 1 1 43 43 ALA H H 43 8.063 8.063 8.012 0.051 25660 230 1 1 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.163 0.193 25660 231 1 1 . 1 1 44 44 PRO C C 44 178.294 178.294 177.402 0.892 25660 232 1 1 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.836 -1.380 25660 233 1 1 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.826 -0.312 25660 234 1 1 . 1 1 45 45 GLY N N 45 112.024 112.024 102.171 9.853 25660 235 1 1 . 1 1 45 45 GLY C C 45 173.301 173.301 172.309 0.992 25660 236 1 1 . 1 1 45 45 GLY CA C 45 45.350 45.350 44.842 0.508 25660 237 1 1 . 1 1 45 45 GLY H H 45 8.831 8.831 8.190 0.641 25660 238 1 1 . 1 1 46 46 TYR N N 46 120.307 120.307 118.588 1.719 25660 239 1 1 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.793 -0.601 25660 240 1 1 . 1 1 46 46 TYR C C 46 174.910 174.910 175.016 -0.106 25660 241 1 1 . 1 1 46 46 TYR CA C 46 57.515 57.515 56.623 0.892 25660 242 1 1 . 1 1 46 46 TYR CB C 46 39.539 39.539 41.187 -1.648 25660 243 1 1 . 1 1 46 46 TYR H H 46 7.661 7.661 7.493 0.168 25660 244 1 1 . 1 1 50 50 ALA N N 50 125.381 125.381 125.299 0.082 25660 245 1 1 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.738 -0.572 25660 246 1 1 . 1 1 50 50 ALA C C 50 178.430 178.430 177.978 0.452 25660 247 1 1 . 1 1 50 50 ALA CA C 50 53.813 53.813 52.221 1.593 25660 248 1 1 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.552 -1.610 25660 249 1 1 . 1 1 50 50 ALA H H 50 8.507 8.507 8.707 -0.200 25660 250 1 1 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.864 0.129 25660 251 1 1 . 1 1 51 51 ALA C C 51 178.634 178.634 178.405 0.229 25660 252 1 1 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.903 -0.971 25660 253 1 1 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.229 0.021 25660 254 1 1 . 1 1 52 52 ASN N N 52 117.178 117.178 114.188 2.990 25660 255 1 1 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.380 -0.051 25660 256 1 1 . 1 1 52 52 ASN C C 52 176.255 176.255 177.167 -0.912 25660 257 1 1 . 1 1 52 52 ASN CA C 52 55.769 55.769 56.074 -0.305 25660 258 1 1 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.002 1.251 25660 259 1 1 . 1 1 52 52 ASN H H 52 8.286 8.286 8.727 -0.441 25660 260 1 1 . 1 1 53 53 LYS N N 53 120.164 120.164 118.353 1.811 25660 261 1 1 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.224 -0.496 25660 262 1 1 . 1 1 53 53 LYS C C 53 177.676 177.676 176.828 0.848 25660 263 1 1 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.631 -0.229 25660 264 1 1 . 1 1 53 53 LYS CB C 53 32.296 32.296 33.091 -0.795 25660 265 1 1 . 1 1 53 53 LYS H H 53 8.152 8.152 8.052 0.100 25660 266 1 1 . 1 1 54 54 ASN N N 54 116.286 116.286 116.100 0.186 25660 267 1 1 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.611 -0.222 25660 268 1 1 . 1 1 54 54 ASN C C 54 175.501 175.501 176.541 -1.040 25660 269 1 1 . 1 1 54 54 ASN CA C 54 53.488 53.488 53.953 -0.465 25660 270 1 1 . 1 1 54 54 ASN CB C 54 38.101 38.101 38.682 -0.581 25660 271 1 1 . 1 1 54 54 ASN H H 54 8.553 8.553 7.571 0.982 25660 272 1 1 . 1 1 55 55 LYS N N 55 121.354 121.354 119.735 1.619 25660 273 1 1 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.049 -0.017 25660 274 1 1 . 1 1 55 55 LYS C C 55 177.422 177.422 177.484 -0.062 25660 275 1 1 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.952 0.866 25660 276 1 1 . 1 1 55 55 LYS CB C 55 31.536 31.536 31.941 -0.405 25660 277 1 1 . 1 1 55 55 LYS H H 55 7.634 7.634 7.480 0.154 25660 278 1 1 . 1 1 56 56 GLY CA C 56 46.052 46.052 45.679 0.373 25660 279 1 1 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.335 -0.293 25660 280 1 1 . 1 1 57 57 ILE C C 57 173.923 173.923 174.497 -0.574 25660 281 1 1 . 1 1 57 57 ILE CA C 57 58.621 58.621 58.871 -0.250 25660 282 1 1 . 1 1 57 57 ILE CB C 57 38.366 38.366 40.643 -2.277 25660 283 1 1 . 1 1 58 58 ILE N N 58 121.053 121.053 120.823 0.230 25660 284 1 1 . 1 1 58 58 ILE HA H 58 4.082 4.082 4.136 -0.054 25660 285 1 1 . 1 1 58 58 ILE C C 58 177.495 177.495 175.673 1.822 25660 286 1 1 . 1 1 58 58 ILE CA C 58 58.867 58.867 60.437 -1.570 25660 287 1 1 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.509 -0.005 25660 288 1 1 . 1 1 58 58 ILE H H 58 7.988 7.988 8.030 -0.042 25660 289 1 1 . 1 1 59 59 TRP N N 59 130.896 130.896 121.417 9.479 25660 290 1 1 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.374 0.455 25660 291 1 1 . 1 1 59 59 TRP C C 59 175.793 175.793 176.062 -0.269 25660 292 1 1 . 1 1 59 59 TRP CA C 59 57.229 57.229 57.557 -0.328 25660 293 1 1 . 1 1 59 59 TRP CB C 59 29.908 29.908 28.499 1.409 25660 294 1 1 . 1 1 59 59 TRP H H 59 8.931 8.931 8.025 0.906 25660 295 1 1 . 1 1 60 60 GLY N N 60 111.218 111.218 110.535 0.683 25660 296 1 1 . 1 1 60 60 GLY C C 60 171.636 171.636 173.298 -1.662 25660 297 1 1 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.327 -1.113 25660 298 1 1 . 1 1 60 60 GLY H H 60 7.839 7.839 8.639 -0.800 25660 299 1 1 . 1 1 61 61 GLU N N 61 120.606 120.606 118.537 2.069 25660 300 1 1 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.303 -0.445 25660 301 1 1 . 1 1 61 61 GLU C C 61 177.011 177.011 176.528 0.483 25660 302 1 1 . 1 1 61 61 GLU CA C 61 62.088 62.088 58.825 3.263 25660 303 1 1 . 1 1 61 61 GLU CB C 61 29.364 29.364 30.036 -0.672 25660 304 1 1 . 1 1 61 61 GLU H H 61 9.619 9.619 8.820 0.799 25660 305 1 1 . 1 1 62 62 ASP N N 62 114.943 114.943 114.130 0.813 25660 306 1 1 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.781 -0.447 25660 307 1 1 . 1 1 62 62 ASP C C 62 179.228 179.228 177.167 2.061 25660 308 1 1 . 1 1 62 62 ASP CA C 62 57.208 57.208 54.765 2.443 25660 309 1 1 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.997 -1.520 25660 310 1 1 . 1 1 62 62 ASP H H 62 8.396 8.396 8.308 0.088 25660 311 1 1 . 1 1 63 63 THR N N 63 112.857 112.857 112.166 0.691 25660 312 1 1 . 1 1 63 63 THR HA H 63 4.116 4.116 4.304 -0.188 25660 313 1 1 . 1 1 63 63 THR C C 63 177.971 177.971 175.932 2.039 25660 314 1 1 . 1 1 63 63 THR CA C 63 63.601 63.601 64.371 -0.770 25660 315 1 1 . 1 1 63 63 THR CB C 63 68.918 68.918 69.957 -1.040 25660 316 1 1 . 1 1 63 63 THR H H 63 8.246 8.246 7.442 0.804 25660 317 1 1 . 1 1 64 64 LEU N N 64 121.355 121.355 123.642 -2.287 25660 318 1 1 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.188 0.045 25660 319 1 1 . 1 1 64 64 LEU C C 64 178.628 178.628 178.930 -0.302 25660 320 1 1 . 1 1 64 64 LEU CA C 64 58.314 58.314 57.853 0.461 25660 321 1 1 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.586 0.769 25660 322 1 1 . 1 1 64 64 LEU H H 64 8.809 8.809 8.093 0.716 25660 323 1 1 . 1 1 65 65 MET N N 65 118.519 118.519 118.329 0.190 25660 324 1 1 . 1 1 65 65 MET HA H 65 3.896 3.896 4.124 -0.228 25660 325 1 1 . 1 1 65 65 MET C C 65 177.782 177.782 177.209 0.573 25660 326 1 1 . 1 1 65 65 MET CA C 65 57.910 57.910 58.717 -0.807 25660 327 1 1 . 1 1 65 65 MET CB C 65 31.019 31.019 32.137 -1.118 25660 328 1 1 . 1 1 65 65 MET H H 65 7.934 7.934 8.429 -0.495 25660 329 1 1 . 1 1 66 66 GLU N N 66 117.027 117.027 119.036 -2.009 25660 330 1 1 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.025 -0.067 25660 331 1 1 . 1 1 66 66 GLU C C 66 178.928 178.928 178.674 0.254 25660 332 1 1 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.218 -0.115 25660 333 1 1 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.029 0.647 25660 334 1 1 . 1 1 66 66 GLU H H 66 6.795 6.795 7.918 -1.123 25660 335 1 1 . 1 1 67 67 TYR N N 67 120.608 120.608 122.514 -1.906 25660 336 1 1 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.145 -0.644 25660 337 1 1 . 1 1 67 67 TYR C C 67 176.312 176.312 177.391 -1.079 25660 338 1 1 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.297 -1.386 25660 339 1 1 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.761 1.357 25660 340 1 1 . 1 1 67 67 TYR H H 67 8.170 8.170 7.858 0.312 25660 341 1 1 . 1 1 68 68 LEU N N 68 109.278 109.278 116.943 -7.665 25660 342 1 1 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.824 -0.838 25660 343 1 1 . 1 1 68 68 LEU C C 68 176.652 176.652 178.651 -1.999 25660 344 1 1 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.634 -1.423 25660 345 1 1 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.363 -0.175 25660 346 1 1 . 1 1 68 68 LEU H H 68 8.108 8.108 8.366 -0.258 25660 347 1 1 . 1 1 69 69 GLU N N 69 119.118 119.118 120.078 -0.960 25660 348 1 1 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.076 -0.216 25660 349 1 1 . 1 1 69 69 GLU C C 69 176.033 176.033 175.729 0.304 25660 350 1 1 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.168 -0.642 25660 351 1 1 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.530 -0.981 25660 352 1 1 . 1 1 69 69 GLU H H 69 6.783 6.783 7.906 -1.123 25660 353 1 1 . 1 1 70 70 ASN N N 70 105.553 105.553 112.052 -6.499 25660 354 1 1 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.456 -1.325 25660 355 1 1 . 1 1 70 70 ASN C C 70 172.247 172.247 172.962 -0.715 25660 356 1 1 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.035 0.330 25660 357 1 1 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.900 -2.103 25660 358 1 1 . 1 1 70 70 ASN H H 70 6.092 6.092 7.653 -1.561 25660 359 1 1 . 1 1 71 71 PRO HA H 71 3.517 3.517 3.991 -0.474 25660 360 1 1 . 1 1 71 71 PRO C C 71 176.414 176.414 177.829 -1.415 25660 361 1 1 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.212 0.460 25660 362 1 1 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.822 -1.887 25660 363 1 1 . 1 1 72 72 LYS N N 72 113.454 113.454 115.069 -1.615 25660 364 1 1 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.480 -0.765 25660 365 1 1 . 1 1 72 72 LYS C C 72 177.234 177.234 177.819 -0.585 25660 366 1 1 . 1 1 72 72 LYS CA C 72 57.046 57.046 57.973 -0.927 25660 367 1 1 . 1 1 72 72 LYS CB C 72 31.565 31.565 31.377 0.189 25660 368 1 1 . 1 1 72 72 LYS H H 72 7.457 7.457 8.722 -1.265 25660 369 1 1 . 1 1 73 73 LYS N N 73 118.522 118.522 119.595 -1.073 25660 370 1 1 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.303 -0.513 25660 371 1 1 . 1 1 73 73 LYS C C 73 176.890 176.890 178.763 -1.873 25660 372 1 1 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.328 -0.921 25660 373 1 1 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.922 -0.023 25660 374 1 1 . 1 1 73 73 LYS H H 73 6.855 6.855 7.447 -0.592 25660 375 1 1 . 1 1 74 74 TYR N N 74 118.674 118.674 120.437 -1.763 25660 376 1 1 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.369 -0.138 25660 377 1 1 . 1 1 74 74 TYR C C 74 175.794 175.794 175.420 0.374 25660 378 1 1 . 1 1 74 74 TYR CA C 74 60.721 60.721 60.744 -0.023 25660 379 1 1 . 1 1 74 74 TYR CB C 74 39.536 39.536 39.957 -0.421 25660 380 1 1 . 1 1 74 74 TYR H H 74 7.219 7.219 7.504 -0.285 25660 381 1 1 . 1 1 75 75 ILE N N 75 114.346 114.346 117.976 -3.630 25660 382 1 1 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.568 -0.501 25660 383 1 1 . 1 1 75 75 ILE C C 75 179.773 179.773 173.951 5.822 25660 384 1 1 . 1 1 75 75 ILE CA C 75 58.474 58.474 57.014 1.460 25660 385 1 1 . 1 1 75 75 ILE CB C 75 37.615 37.615 37.740 -0.125 25660 386 1 1 . 1 1 75 75 ILE H H 75 8.189 8.189 8.140 0.049 25660 387 1 1 . 1 1 76 76 PRO HA H 76 4.477 4.477 5.036 -0.559 25660 388 1 1 . 1 1 76 76 PRO C C 76 178.583 178.583 176.833 1.750 25660 389 1 1 . 1 1 76 76 PRO CA C 76 64.021 64.021 61.947 2.075 25660 390 1 1 . 1 1 76 76 PRO CB C 76 31.137 31.137 30.168 0.969 25660 391 1 1 . 1 1 77 77 GLY N N 77 108.831 108.831 109.467 -0.636 25660 392 1 1 . 1 1 77 77 GLY C C 77 174.866 174.866 172.505 2.361 25660 393 1 1 . 1 1 77 77 GLY CA C 77 44.314 44.314 45.588 -1.274 25660 394 1 1 . 1 1 77 77 GLY H H 77 8.563 8.563 8.200 0.363 25660 395 1 1 . 1 1 78 78 THR N N 78 115.541 115.541 114.944 0.597 25660 396 1 1 . 1 1 78 78 THR HA H 78 4.226 4.226 4.790 -0.564 25660 397 1 1 . 1 1 78 78 THR C C 78 173.114 173.114 174.202 -1.088 25660 398 1 1 . 1 1 78 78 THR CA C 78 61.759 61.759 59.731 2.028 25660 399 1 1 . 1 1 78 78 THR CB C 78 67.910 67.910 70.864 -2.954 25660 400 1 1 . 1 1 78 78 THR H H 78 7.922 7.922 7.897 0.025 25660 401 1 1 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.547 -0.166 25660 402 1 1 . 1 1 79 79 LYS C C 79 175.845 175.845 176.692 -0.847 25660 403 1 1 . 1 1 79 79 LYS CA C 79 55.526 55.526 55.513 0.013 25660 404 1 1 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.712 -0.409 25660 405 1 1 . 1 1 80 80 MET N N 80 123.515 123.515 122.042 1.473 25660 406 1 1 . 1 1 80 80 MET HA H 80 2.934 2.934 4.448 -1.514 25660 407 1 1 . 1 1 80 80 MET C C 80 171.833 171.833 175.196 -3.363 25660 408 1 1 . 1 1 80 80 MET CA C 80 55.863 55.863 54.967 0.896 25660 409 1 1 . 1 1 80 80 MET CB C 80 27.552 27.552 31.787 -4.234 25660 410 1 1 . 1 1 80 80 MET H H 80 7.384 7.384 7.615 -0.231 25660 411 1 1 . 1 1 81 81 ILE N N 81 130.146 130.146 129.392 0.754 25660 412 1 1 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.284 -0.799 25660 413 1 1 . 1 1 81 81 ILE C C 81 173.220 173.220 175.218 -1.998 25660 414 1 1 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.361 -1.077 25660 415 1 1 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.425 -0.813 25660 416 1 1 . 1 1 81 81 ILE H H 81 7.856 7.856 8.420 -0.564 25660 417 1 1 . 1 1 82 82 PHE N N 82 123.143 123.143 127.483 -4.340 25660 418 1 1 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.744 -0.417 25660 419 1 1 . 1 1 82 82 PHE C C 82 174.333 174.333 174.457 -0.124 25660 420 1 1 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.578 -1.000 25660 421 1 1 . 1 1 82 82 PHE CB C 82 40.644 40.644 41.854 -1.210 25660 422 1 1 . 1 1 82 82 PHE H H 82 6.529 6.529 7.896 -1.367 25660 423 1 1 . 1 1 83 83 VAL N N 83 125.079 125.079 124.804 0.275 25660 424 1 1 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.888 -0.602 25660 425 1 1 . 1 1 83 83 VAL C C 83 174.444 174.444 175.484 -1.040 25660 426 1 1 . 1 1 83 83 VAL CA C 83 64.273 64.273 63.439 0.834 25660 427 1 1 . 1 1 83 83 VAL CB C 83 31.352 31.352 31.991 -0.639 25660 428 1 1 . 1 1 83 83 VAL H H 83 7.739 7.739 7.654 0.085 25660 429 1 1 . 1 1 84 84 GLY C C 84 172.113 172.113 172.958 -0.845 25660 430 1 1 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.827 -1.990 25660 431 1 1 . 1 1 85 85 ILE N N 85 120.758 120.758 123.618 -2.860 25660 432 1 1 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.394 -0.258 25660 433 1 1 . 1 1 85 85 ILE C C 85 175.103 175.103 176.306 -1.203 25660 434 1 1 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.964 -1.574 25660 435 1 1 . 1 1 85 85 ILE CB C 85 39.528 39.528 37.482 2.046 25660 436 1 1 . 1 1 85 85 ILE H H 85 8.327 8.327 9.068 -0.741 25660 437 1 1 . 1 1 86 86 LYS N N 86 127.466 127.466 126.411 1.055 25660 438 1 1 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.079 -0.107 25660 439 1 1 . 1 1 86 86 LYS C C 86 178.442 178.442 177.305 1.137 25660 440 1 1 . 1 1 86 86 LYS CA C 86 58.619 58.619 57.969 0.649 25660 441 1 1 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.532 -0.189 25660 442 1 1 . 1 1 86 86 LYS H H 86 8.518 8.518 8.626 -0.108 25660 443 1 1 . 1 1 87 87 LYS N N 87 120.309 120.309 119.446 0.863 25660 444 1 1 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.403 -0.156 25660 445 1 1 . 1 1 87 87 LYS C C 87 177.569 177.569 177.538 0.031 25660 446 1 1 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.280 1.585 25660 447 1 1 . 1 1 87 87 LYS CB C 87 32.531 32.531 33.296 -0.765 25660 448 1 1 . 1 1 87 87 LYS H H 87 8.368 8.368 8.123 0.245 25660 449 1 1 . 1 1 88 88 LYS N N 88 129.999 129.999 125.138 4.861 25660 450 1 1 . 1 1 88 88 LYS HA H 88 3.562 3.562 4.216 -0.654 25660 451 1 1 . 1 1 88 88 LYS C C 88 177.664 177.664 178.065 -0.401 25660 452 1 1 . 1 1 88 88 LYS CA C 88 60.314 60.314 59.059 1.255 25660 453 1 1 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.513 -0.430 25660 454 1 1 . 1 1 88 88 LYS H H 88 9.151 9.151 8.808 0.343 25660 455 1 1 . 1 1 89 89 GLU N N 89 117.925 117.925 120.903 -2.978 25660 456 1 1 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.069 -0.170 25660 457 1 1 . 1 1 89 89 GLU C C 89 177.911 177.911 178.616 -0.705 25660 458 1 1 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.445 0.315 25660 459 1 1 . 1 1 89 89 GLU CB C 89 28.814 28.814 28.450 0.364 25660 460 1 1 . 1 1 89 89 GLU H H 89 9.462 9.462 8.908 0.554 25660 461 1 1 . 1 1 90 90 GLU N N 90 116.437 116.437 119.434 -2.997 25660 462 1 1 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.081 0.117 25660 463 1 1 . 1 1 90 90 GLU C C 90 178.730 178.730 179.303 -0.573 25660 464 1 1 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.359 -1.082 25660 465 1 1 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.308 0.682 25660 466 1 1 . 1 1 90 90 GLU H H 90 6.347 6.347 8.589 -2.242 25660 467 1 1 . 1 1 91 91 ARG N N 91 117.405 117.405 119.167 -1.762 25660 468 1 1 . 1 1 91 91 ARG HA H 91 3.740 3.740 3.912 -0.172 25660 469 1 1 . 1 1 91 91 ARG C C 91 177.430 177.430 178.452 -1.022 25660 470 1 1 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.853 1.329 25660 471 1 1 . 1 1 91 91 ARG CB C 91 31.106 31.106 30.116 0.990 25660 472 1 1 . 1 1 91 91 ARG H H 91 7.423 7.423 7.698 -0.275 25660 473 1 1 . 1 1 92 92 ALA N N 92 120.161 120.161 122.210 -2.049 25660 474 1 1 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.073 -0.103 25660 475 1 1 . 1 1 92 92 ALA C C 92 181.044 181.044 179.344 1.700 25660 476 1 1 . 1 1 92 92 ALA CA C 92 55.281 55.281 55.178 0.103 25660 477 1 1 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.354 -0.815 25660 478 1 1 . 1 1 92 92 ALA H H 92 8.668 8.668 8.190 0.478 25660 479 1 1 . 1 1 93 93 ASP N N 93 122.101 122.101 120.218 1.883 25660 480 1 1 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.489 -0.281 25660 481 1 1 . 1 1 93 93 ASP C C 93 177.634 177.634 178.512 -0.878 25660 482 1 1 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.814 0.333 25660 483 1 1 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.710 -1.158 25660 484 1 1 . 1 1 93 93 ASP H H 93 8.153 8.153 7.920 0.233 25660 485 1 1 . 1 1 94 94 LEU N N 94 121.208 121.208 122.220 -1.012 25660 486 1 1 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.093 0.112 25660 487 1 1 . 1 1 94 94 LEU C C 94 178.395 178.395 178.958 -0.563 25660 488 1 1 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.034 0.261 25660 489 1 1 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.246 -0.535 25660 490 1 1 . 1 1 94 94 LEU H H 94 8.183 8.183 8.406 -0.223 25660 491 1 1 . 1 1 95 95 ILE N N 95 120.159 120.159 118.114 2.045 25660 492 1 1 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.638 -0.029 25660 493 1 1 . 1 1 95 95 ILE C C 95 176.351 176.351 177.600 -1.249 25660 494 1 1 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.301 0.921 25660 495 1 1 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.613 0.055 25660 496 1 1 . 1 1 95 95 ILE H H 95 8.974 8.974 8.350 0.624 25660 497 1 1 . 1 1 96 96 ALA N N 96 123.001 123.001 123.067 -0.066 25660 498 1 1 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.900 0.126 25660 499 1 1 . 1 1 96 96 ALA C C 96 180.700 180.700 179.217 1.483 25660 500 1 1 . 1 1 96 96 ALA CA C 96 54.933 54.933 54.974 -0.042 25660 501 1 1 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.140 -1.171 25660 502 1 1 . 1 1 96 96 ALA H H 96 7.974 7.974 7.551 0.423 25660 503 1 1 . 1 1 97 97 TYR N N 97 118.224 118.224 119.924 -1.700 25660 504 1 1 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.055 0.142 25660 505 1 1 . 1 1 97 97 TYR C C 97 176.278 176.278 177.348 -1.070 25660 506 1 1 . 1 1 97 97 TYR CA C 97 61.456 61.456 60.111 1.345 25660 507 1 1 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.231 -1.288 25660 508 1 1 . 1 1 97 97 TYR H H 97 8.089 8.089 7.907 0.182 25660 509 1 1 . 1 1 98 98 LEU N N 98 119.118 119.118 118.397 0.721 25660 510 1 1 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.246 0.088 25660 511 1 1 . 1 1 98 98 LEU C C 98 179.188 179.188 178.950 0.238 25660 512 1 1 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.611 0.039 25660 513 1 1 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.289 0.356 25660 514 1 1 . 1 1 98 98 LEU H H 98 8.982 8.982 8.233 0.749 25660 515 1 1 . 1 1 99 99 LYS N N 99 123.889 123.889 117.082 6.807 25660 516 1 1 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.410 -0.861 25660 517 1 1 . 1 1 99 99 LYS C C 99 176.653 176.653 178.048 -1.395 25660 518 1 1 . 1 1 99 99 LYS CA C 99 59.190 59.190 58.498 0.691 25660 519 1 1 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.752 0.117 25660 520 1 1 . 1 1 99 99 LYS H H 99 8.945 8.945 7.713 1.232 25660 521 1 1 . 1 1 100 100 LYS N N 100 116.726 116.726 118.592 -1.866 25660 522 1 1 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.056 -0.080 25660 523 1 1 . 1 1 100 100 LYS C C 100 178.363 178.363 177.067 1.296 25660 524 1 1 . 1 1 100 100 LYS CA C 100 57.655 57.655 57.963 -0.308 25660 525 1 1 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.597 0.578 25660 526 1 1 . 1 1 100 100 LYS H H 100 6.724 6.724 7.305 -0.581 25660 527 1 1 . 1 1 101 101 ALA N N 101 119.416 119.416 117.530 1.886 25660 528 1 1 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.587 -0.792 25660 529 1 1 . 1 1 101 101 ALA C C 101 179.576 179.576 179.467 0.109 25660 530 1 1 . 1 1 101 101 ALA CA C 101 54.401 54.401 53.490 0.911 25660 531 1 1 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.328 -0.975 25660 532 1 1 . 1 1 101 101 ALA H H 101 8.539 8.539 7.499 1.040 25660 533 1 1 . 1 1 102 102 THR N N 102 101.974 101.974 109.862 -7.888 25660 534 1 1 . 1 1 102 102 THR HA H 102 4.157 4.157 3.925 0.232 25660 535 1 1 . 1 1 102 102 THR C C 102 172.872 172.872 175.029 -2.157 25660 536 1 1 . 1 1 102 102 THR CA C 102 61.954 61.954 64.479 -2.525 25660 537 1 1 . 1 1 102 102 THR CB C 102 69.403 69.403 69.000 0.403 25660 538 1 1 . 1 1 102 102 THR H H 102 7.810 7.810 8.234 -0.424 25660 539 1 1 . 1 1 103 103 ASN N N 103 118.372 118.372 116.771 1.601 25660 540 1 1 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.833 -0.066 25660 541 1 1 . 1 1 103 103 ASN C C 103 173.663 173.663 174.809 -1.146 25660 542 1 1 . 1 1 103 103 ASN CA C 103 52.469 52.469 52.923 -0.454 25660 543 1 1 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.534 2.842 25660 544 1 1 . 1 1 103 103 ASN H H 103 6.968 6.968 8.221 -1.253 25660 545 1 2 . 1 1 2 2 ASP N N 2 124.691 124.691 121.371 3.320 25660 546 1 2 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.971 -0.196 25660 547 1 2 . 1 1 2 2 ASP C C 2 175.662 175.662 175.606 0.056 25660 548 1 2 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.633 0.139 25660 549 1 2 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.072 -0.759 25660 550 1 2 . 1 1 2 2 ASP H H 2 9.541 9.541 8.642 0.899 25660 551 1 2 . 1 1 3 3 VAL N N 3 123.739 123.739 118.288 5.451 25660 552 1 2 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.844 -0.294 25660 553 1 2 . 1 1 3 3 VAL C C 3 177.302 177.302 177.376 -0.074 25660 554 1 2 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.609 0.337 25660 555 1 2 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.130 -0.165 25660 556 1 2 . 1 1 3 3 VAL H H 3 8.569 8.569 8.322 0.247 25660 557 1 2 . 1 1 4 4 GLU N N 4 120.310 120.310 119.300 1.010 25660 558 1 2 . 1 1 4 4 GLU HA H 4 4.008 4.008 4.055 -0.047 25660 559 1 2 . 1 1 4 4 GLU C C 4 180.515 180.515 179.052 1.463 25660 560 1 2 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.196 -0.233 25660 561 1 2 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.457 -0.978 25660 562 1 2 . 1 1 4 4 GLU H H 4 8.083 8.083 8.274 -0.191 25660 563 1 2 . 1 1 5 5 LYS N N 5 121.058 121.058 118.865 2.193 25660 564 1 2 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.127 -0.228 25660 565 1 2 . 1 1 5 5 LYS C C 5 180.515 180.515 179.065 1.450 25660 566 1 2 . 1 1 5 5 LYS CA C 5 59.459 59.459 57.866 1.593 25660 567 1 2 . 1 1 5 5 LYS CB C 5 32.454 32.454 31.999 0.455 25660 568 1 2 . 1 1 5 5 LYS H H 5 8.096 8.096 7.551 0.545 25660 569 1 2 . 1 1 6 6 GLY N N 6 107.193 107.193 107.551 -0.358 25660 570 1 2 . 1 1 6 6 GLY C C 6 174.012 174.012 175.942 -1.930 25660 571 1 2 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.818 -0.339 25660 572 1 2 . 1 1 6 6 GLY H H 6 8.709 8.709 8.138 0.571 25660 573 1 2 . 1 1 7 7 LYS N N 7 124.124 124.124 120.962 3.162 25660 574 1 2 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.179 -1.020 25660 575 1 2 . 1 1 7 7 LYS C C 7 177.457 177.457 178.691 -1.234 25660 576 1 2 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.815 -0.763 25660 577 1 2 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.881 0.224 25660 578 1 2 . 1 1 7 7 LYS H H 7 8.039 8.039 8.044 -0.005 25660 579 1 2 . 1 1 8 8 LYS N N 8 116.732 116.732 118.158 -1.426 25660 580 1 2 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.053 -0.238 25660 581 1 2 . 1 1 8 8 LYS C C 8 179.228 179.228 178.997 0.231 25660 582 1 2 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.939 0.383 25660 583 1 2 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.797 0.019 25660 584 1 2 . 1 1 8 8 LYS H H 8 6.958 6.958 7.687 -0.729 25660 585 1 2 . 1 1 9 9 ILE N N 9 119.269 119.269 119.575 -0.306 25660 586 1 2 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.905 -0.186 25660 587 1 2 . 1 1 9 9 ILE C C 9 177.006 177.006 177.898 -0.892 25660 588 1 2 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.467 2.639 25660 589 1 2 . 1 1 9 9 ILE CB C 9 37.562 37.562 36.839 0.723 25660 590 1 2 . 1 1 9 9 ILE H H 9 7.681 7.681 7.426 0.255 25660 591 1 2 . 1 1 10 10 PHE N N 10 120.908 120.908 121.590 -0.682 25660 592 1 2 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.367 -0.394 25660 593 1 2 . 1 1 10 10 PHE C C 10 178.820 178.820 178.791 0.029 25660 594 1 2 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.467 0.697 25660 595 1 2 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.419 -0.042 25660 596 1 2 . 1 1 10 10 PHE H H 10 8.635 8.635 7.785 0.850 25660 597 1 2 . 1 1 11 11 ILE N N 11 121.053 121.053 119.607 1.446 25660 598 1 2 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.701 -0.385 25660 599 1 2 . 1 1 11 11 ILE C C 11 178.867 178.867 177.412 1.455 25660 600 1 2 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.388 1.234 25660 601 1 2 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.934 -0.317 25660 602 1 2 . 1 1 11 11 ILE H H 11 8.834 8.834 8.782 0.052 25660 603 1 2 . 1 1 12 12 MET N N 12 117.328 117.328 120.633 -3.305 25660 604 1 2 . 1 1 12 12 MET HA H 12 4.219 4.219 4.322 -0.103 25660 605 1 2 . 1 1 12 12 MET C C 12 177.972 177.972 177.635 0.337 25660 606 1 2 . 1 1 12 12 MET CA C 12 58.560 58.560 58.315 0.245 25660 607 1 2 . 1 1 12 12 MET CB C 12 33.675 33.675 32.678 0.997 25660 608 1 2 . 1 1 12 12 MET H H 12 8.047 8.047 7.842 0.205 25660 609 1 2 . 1 1 13 13 LYS N N 13 113.452 113.452 116.396 -2.944 25660 610 1 2 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.497 0.438 25660 611 1 2 . 1 1 13 13 LYS C C 13 177.353 177.353 177.271 0.082 25660 612 1 2 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.171 0.089 25660 613 1 2 . 1 1 13 13 LYS CB C 13 35.199 35.199 33.847 1.352 25660 614 1 2 . 1 1 13 13 LYS H H 13 9.016 9.016 8.002 1.014 25660 615 1 2 . 1 1 14 14 CYS N N 14 115.390 115.390 117.049 -1.659 25660 616 1 2 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.557 0.739 25660 617 1 2 . 1 1 14 14 CYS C C 14 177.723 177.723 175.756 1.967 25660 618 1 2 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.820 -5.701 25660 619 1 2 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.680 8.104 25660 620 1 2 . 1 1 14 14 CYS H H 14 8.130 8.130 7.796 0.334 25660 621 1 2 . 1 1 15 15 SER N N 15 114.347 114.347 116.526 -2.179 25660 622 1 2 . 1 1 15 15 SER HA H 15 3.768 3.768 4.239 -0.471 25660 623 1 2 . 1 1 15 15 SER C C 15 174.272 174.272 175.240 -0.968 25660 624 1 2 . 1 1 15 15 SER CA C 15 60.587 60.587 60.493 0.094 25660 625 1 2 . 1 1 15 15 SER CB C 15 62.483 62.483 63.133 -0.650 25660 626 1 2 . 1 1 15 15 SER H H 15 7.297 7.297 7.939 -0.642 25660 627 1 2 . 1 1 16 16 GLN N N 16 120.608 120.608 117.817 2.791 25660 628 1 2 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.190 -0.281 25660 629 1 2 . 1 1 16 16 GLN C C 16 176.559 176.559 175.941 0.618 25660 630 1 2 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.688 0.250 25660 631 1 2 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.544 -0.644 25660 632 1 2 . 1 1 16 16 GLN H H 16 8.879 8.879 8.295 0.584 25660 633 1 2 . 1 1 17 17 CYS N N 17 112.857 112.857 115.798 -2.941 25660 634 1 2 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.745 -0.661 25660 635 1 2 . 1 1 17 17 CYS C C 17 171.419 171.419 175.635 -4.216 25660 636 1 2 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.610 -5.643 25660 637 1 2 . 1 1 17 17 CYS CB C 17 38.172 38.172 29.776 8.396 25660 638 1 2 . 1 1 17 17 CYS H H 17 6.805 6.805 7.669 -0.864 25660 639 1 2 . 1 1 18 18 HIS N N 18 113.603 113.603 120.042 -6.439 25660 640 1 2 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.047 -1.425 25660 641 1 2 . 1 1 18 18 HIS CA C 18 53.514 53.514 57.059 -3.545 25660 642 1 2 . 1 1 18 18 HIS CB C 18 31.916 31.916 30.966 0.950 25660 643 1 2 . 1 1 18 18 HIS H H 18 6.223 6.223 8.410 -2.187 25660 644 1 2 . 1 1 19 19 THR N N 19 109.280 109.280 110.693 -1.413 25660 645 1 2 . 1 1 19 19 THR HA H 19 4.413 4.413 4.999 -0.586 25660 646 1 2 . 1 1 19 19 THR C C 19 174.026 174.026 173.942 0.084 25660 647 1 2 . 1 1 19 19 THR CA C 19 58.557 58.557 60.057 -1.500 25660 648 1 2 . 1 1 19 19 THR CB C 19 71.176 71.176 71.627 -0.451 25660 649 1 2 . 1 1 19 19 THR H H 19 7.636 7.636 8.142 -0.506 25660 650 1 2 . 1 1 20 20 VAL N N 20 110.620 110.620 114.110 -3.490 25660 651 1 2 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.906 -1.141 25660 652 1 2 . 1 1 20 20 VAL C C 20 173.470 173.470 174.968 -1.498 25660 653 1 2 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.131 0.663 25660 654 1 2 . 1 1 20 20 VAL CB C 20 33.427 33.427 32.354 1.073 25660 655 1 2 . 1 1 20 20 VAL H H 20 7.675 7.675 8.487 -0.812 25660 656 1 2 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.398 -0.264 25660 657 1 2 . 1 1 21 21 GLU C C 21 177.538 177.538 175.776 1.762 25660 658 1 2 . 1 1 21 21 GLU CA C 21 56.452 56.452 56.032 0.419 25660 659 1 2 . 1 1 21 21 GLU CB C 21 29.646 29.646 31.694 -2.048 25660 660 1 2 . 1 1 22 22 LYS N N 22 126.123 126.123 122.678 3.445 25660 661 1 2 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.790 -0.738 25660 662 1 2 . 1 1 22 22 LYS C C 22 177.538 177.538 178.025 -0.487 25660 663 1 2 . 1 1 22 22 LYS CA C 22 57.749 57.749 56.879 0.870 25660 664 1 2 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.649 -1.708 25660 665 1 2 . 1 1 22 22 LYS H H 22 8.717 8.717 8.395 0.322 25660 666 1 2 . 1 1 23 23 GLY N N 23 117.177 117.177 111.410 5.767 25660 667 1 2 . 1 1 23 23 GLY C C 23 174.531 174.531 174.239 0.292 25660 668 1 2 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.905 0.001 25660 669 1 2 . 1 1 23 23 GLY H H 23 9.078 9.078 8.689 0.389 25660 670 1 2 . 1 1 24 24 GLY N N 24 107.042 107.042 109.767 -2.725 25660 671 1 2 . 1 1 24 24 GLY C C 24 172.234 172.234 173.316 -1.082 25660 672 1 2 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.786 -0.640 25660 673 1 2 . 1 1 24 24 GLY H H 24 7.730 7.730 7.647 0.083 25660 674 1 2 . 1 1 25 25 LYS N N 25 118.452 118.452 121.686 -3.234 25660 675 1 2 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.614 -0.781 25660 676 1 2 . 1 1 25 25 LYS C C 25 178.209 178.209 174.995 3.214 25660 677 1 2 . 1 1 25 25 LYS CA C 25 55.712 55.712 55.106 0.606 25660 678 1 2 . 1 1 25 25 LYS CB C 25 32.861 32.861 36.237 -3.376 25660 679 1 2 . 1 1 25 25 LYS H H 25 8.222 8.222 8.371 -0.149 25660 680 1 2 . 1 1 26 26 HIS N N 26 122.465 122.465 119.235 3.230 25660 681 1 2 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.818 -0.626 25660 682 1 2 . 1 1 26 26 HIS C C 26 175.081 175.081 174.255 0.826 25660 683 1 2 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.865 -0.052 25660 684 1 2 . 1 1 26 26 HIS CB C 26 30.173 30.173 30.136 0.037 25660 685 1 2 . 1 1 26 26 HIS H H 26 8.545 8.545 8.407 0.138 25660 686 1 2 . 1 1 27 27 LYS N N 27 126.571 126.571 124.671 1.900 25660 687 1 2 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.560 -0.190 25660 688 1 2 . 1 1 27 27 LYS C C 27 175.781 175.781 175.980 -0.199 25660 689 1 2 . 1 1 27 27 LYS CA C 27 55.066 55.066 55.235 -0.169 25660 690 1 2 . 1 1 27 27 LYS CB C 27 30.731 30.731 33.322 -2.591 25660 691 1 2 . 1 1 27 27 LYS H H 27 7.439 7.439 8.215 -0.776 25660 692 1 2 . 1 1 28 28 THR HA H 28 4.017 4.017 4.255 -0.238 25660 693 1 2 . 1 1 28 28 THR C C 28 174.931 174.931 175.087 -0.156 25660 694 1 2 . 1 1 28 28 THR CA C 28 67.083 67.083 64.471 2.612 25660 695 1 2 . 1 1 28 28 THR CB C 28 69.766 69.766 68.849 0.917 25660 696 1 2 . 1 1 29 29 GLY N N 29 106.150 106.150 107.450 -1.300 25660 697 1 2 . 1 1 29 29 GLY C C 29 169.328 169.328 171.572 -2.244 25660 698 1 2 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.535 -1.653 25660 699 1 2 . 1 1 29 29 GLY H H 29 7.548 7.548 7.378 0.171 25660 700 1 2 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.770 -1.180 25660 701 1 2 . 1 1 30 30 PRO CA C 30 60.269 60.269 61.675 -1.407 25660 702 1 2 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.649 -2.629 25660 703 1 2 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.669 -0.646 25660 704 1 2 . 1 1 31 31 ASN C C 31 176.303 176.303 176.142 0.161 25660 705 1 2 . 1 1 31 31 ASN CA C 31 54.344 54.344 53.328 1.016 25660 706 1 2 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.419 1.366 25660 707 1 2 . 1 1 31 31 ASN H H 31 10.198 10.198 8.157 2.041 25660 708 1 2 . 1 1 32 32 LEU N N 32 121.653 121.653 116.191 5.462 25660 709 1 2 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.865 0.002 25660 710 1 2 . 1 1 32 32 LEU C C 32 174.533 174.533 174.841 -0.308 25660 711 1 2 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.916 -2.629 25660 712 1 2 . 1 1 32 32 LEU CB C 32 42.520 42.520 40.584 1.936 25660 713 1 2 . 1 1 32 32 LEU H H 32 7.889 7.889 7.770 0.119 25660 714 1 2 . 1 1 33 33 HIS N N 33 119.860 119.860 117.836 2.024 25660 715 1 2 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.294 -0.587 25660 716 1 2 . 1 1 33 33 HIS C C 33 176.992 176.992 176.268 0.724 25660 717 1 2 . 1 1 33 33 HIS CA C 33 60.491 60.491 58.504 1.987 25660 718 1 2 . 1 1 33 33 HIS CB C 33 28.223 28.223 30.218 -1.995 25660 719 1 2 . 1 1 33 33 HIS H H 33 7.445 7.445 7.137 0.308 25660 720 1 2 . 1 1 34 34 GLY N N 34 114.645 114.645 113.448 1.197 25660 721 1 2 . 1 1 34 34 GLY C C 34 174.473 174.473 174.747 -0.274 25660 722 1 2 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.995 -0.281 25660 723 1 2 . 1 1 34 34 GLY H H 34 8.763 8.763 8.130 0.633 25660 724 1 2 . 1 1 35 35 LEU N N 35 117.774 117.774 119.737 -1.963 25660 725 1 2 . 1 1 35 35 LEU HA H 35 3.527 3.527 3.959 -0.432 25660 726 1 2 . 1 1 35 35 LEU C C 35 176.507 176.507 176.403 0.104 25660 727 1 2 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.663 -0.204 25660 728 1 2 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.498 1.310 25660 729 1 2 . 1 1 35 35 LEU H H 35 7.010 7.010 7.342 -0.332 25660 730 1 2 . 1 1 36 36 PHE N N 36 113.600 113.600 116.250 -2.650 25660 731 1 2 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.660 -0.812 25660 732 1 2 . 1 1 36 36 PHE C C 36 176.553 176.553 177.052 -0.499 25660 733 1 2 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.316 0.386 25660 734 1 2 . 1 1 36 36 PHE CB C 36 36.223 36.223 38.315 -2.092 25660 735 1 2 . 1 1 36 36 PHE H H 36 8.694 8.694 8.056 0.638 25660 736 1 2 . 1 1 37 37 GLY N N 37 112.857 112.857 113.481 -0.624 25660 737 1 2 . 1 1 37 37 GLY C C 37 173.382 173.382 173.464 -0.082 25660 738 1 2 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.887 -0.432 25660 739 1 2 . 1 1 37 37 GLY H H 37 8.839 8.839 8.806 0.033 25660 740 1 2 . 1 1 38 38 ARG N N 38 124.035 124.035 119.278 4.757 25660 741 1 2 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.791 -0.342 25660 742 1 2 . 1 1 38 38 ARG C C 38 174.415 174.415 174.986 -0.571 25660 743 1 2 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.192 1.572 25660 744 1 2 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.483 -0.072 25660 745 1 2 . 1 1 38 38 ARG H H 38 8.215 8.215 7.890 0.325 25660 746 1 2 . 1 1 39 39 LYS N N 39 123.290 123.290 121.475 1.815 25660 747 1 2 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.197 0.650 25660 748 1 2 . 1 1 39 39 LYS C C 39 172.219 172.219 176.231 -4.012 25660 749 1 2 . 1 1 39 39 LYS CA C 39 55.199 55.199 56.077 -0.878 25660 750 1 2 . 1 1 39 39 LYS CB C 39 33.682 33.682 33.440 0.242 25660 751 1 2 . 1 1 39 39 LYS H H 39 8.147 8.147 8.529 -0.382 25660 752 1 2 . 1 1 40 40 THR N N 40 113.158 113.158 113.488 -0.330 25660 753 1 2 . 1 1 40 40 THR HA H 40 4.463 4.463 4.664 -0.201 25660 754 1 2 . 1 1 40 40 THR C C 40 175.638 175.638 175.052 0.586 25660 755 1 2 . 1 1 40 40 THR CA C 40 61.920 61.920 60.481 1.439 25660 756 1 2 . 1 1 40 40 THR CB C 40 68.539 68.539 70.485 -1.946 25660 757 1 2 . 1 1 40 40 THR H H 40 7.804 7.804 8.770 -0.966 25660 758 1 2 . 1 1 41 41 GLY N N 41 111.811 111.811 108.391 3.420 25660 759 1 2 . 1 1 41 41 GLY C C 41 174.720 174.720 174.362 0.358 25660 760 1 2 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.424 -0.015 25660 761 1 2 . 1 1 41 41 GLY H H 41 9.040 9.040 8.650 0.390 25660 762 1 2 . 1 1 42 42 GLN N N 42 117.180 117.180 115.224 1.956 25660 763 1 2 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.450 -0.096 25660 764 1 2 . 1 1 42 42 GLN C C 42 175.152 175.152 175.273 -0.121 25660 765 1 2 . 1 1 42 42 GLN CA C 42 54.615 54.615 54.981 -0.366 25660 766 1 2 . 1 1 42 42 GLN CB C 42 28.977 28.977 30.786 -1.809 25660 767 1 2 . 1 1 42 42 GLN H H 42 8.084 8.084 8.200 -0.116 25660 768 1 2 . 1 1 43 43 ALA N N 43 125.825 125.825 126.023 -0.198 25660 769 1 2 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.821 -0.285 25660 770 1 2 . 1 1 43 43 ALA C C 43 175.308 175.308 176.753 -1.445 25660 771 1 2 . 1 1 43 43 ALA CA C 43 49.991 49.991 50.160 -0.169 25660 772 1 2 . 1 1 43 43 ALA CB C 43 18.488 18.488 19.165 -0.676 25660 773 1 2 . 1 1 43 43 ALA H H 43 8.063 8.063 7.950 0.113 25660 774 1 2 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.194 0.162 25660 775 1 2 . 1 1 44 44 PRO C C 44 178.294 178.294 177.302 0.992 25660 776 1 2 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.866 -1.410 25660 777 1 2 . 1 1 44 44 PRO CB C 44 31.514 31.514 32.013 -0.499 25660 778 1 2 . 1 1 45 45 GLY N N 45 112.024 112.024 102.474 9.550 25660 779 1 2 . 1 1 45 45 GLY C C 45 173.301 173.301 174.138 -0.837 25660 780 1 2 . 1 1 45 45 GLY CA C 45 45.350 45.350 44.038 1.312 25660 781 1 2 . 1 1 45 45 GLY H H 45 8.831 8.831 8.091 0.740 25660 782 1 2 . 1 1 46 46 TYR N N 46 120.307 120.307 118.452 1.855 25660 783 1 2 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.786 -0.594 25660 784 1 2 . 1 1 46 46 TYR C C 46 174.910 174.910 174.394 0.516 25660 785 1 2 . 1 1 46 46 TYR CA C 46 57.515 57.515 58.165 -0.650 25660 786 1 2 . 1 1 46 46 TYR CB C 46 39.539 39.539 41.505 -1.966 25660 787 1 2 . 1 1 46 46 TYR H H 46 7.661 7.661 7.902 -0.241 25660 788 1 2 . 1 1 50 50 ALA N N 50 125.381 125.381 129.580 -4.199 25660 789 1 2 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.446 -0.280 25660 790 1 2 . 1 1 50 50 ALA C C 50 178.430 178.430 178.327 0.103 25660 791 1 2 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.509 0.304 25660 792 1 2 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.171 -1.228 25660 793 1 2 . 1 1 50 50 ALA H H 50 8.507 8.507 8.630 -0.123 25660 794 1 2 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.964 0.029 25660 795 1 2 . 1 1 51 51 ALA C C 51 178.634 178.634 178.560 0.074 25660 796 1 2 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.701 -0.769 25660 797 1 2 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.015 0.234 25660 798 1 2 . 1 1 52 52 ASN N N 52 117.178 117.178 117.152 0.026 25660 799 1 2 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.386 -0.057 25660 800 1 2 . 1 1 52 52 ASN C C 52 176.255 176.255 177.326 -1.071 25660 801 1 2 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.827 -0.058 25660 802 1 2 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.451 0.802 25660 803 1 2 . 1 1 52 52 ASN H H 52 8.286 8.286 7.942 0.344 25660 804 1 2 . 1 1 53 53 LYS N N 53 120.164 120.164 115.554 4.610 25660 805 1 2 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.092 -0.364 25660 806 1 2 . 1 1 53 53 LYS C C 53 177.676 177.676 176.534 1.142 25660 807 1 2 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.000 0.402 25660 808 1 2 . 1 1 53 53 LYS CB C 53 32.296 32.296 31.812 0.484 25660 809 1 2 . 1 1 53 53 LYS H H 53 8.152 8.152 7.564 0.588 25660 810 1 2 . 1 1 54 54 ASN N N 54 116.286 116.286 116.897 -0.611 25660 811 1 2 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.799 -0.410 25660 812 1 2 . 1 1 54 54 ASN C C 54 175.501 175.501 175.283 0.218 25660 813 1 2 . 1 1 54 54 ASN CA C 54 53.488 53.488 53.514 -0.026 25660 814 1 2 . 1 1 54 54 ASN CB C 54 38.101 38.101 39.022 -0.921 25660 815 1 2 . 1 1 54 54 ASN H H 54 8.553 8.553 7.633 0.920 25660 816 1 2 . 1 1 55 55 LYS N N 55 121.354 121.354 120.700 0.654 25660 817 1 2 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.316 -0.284 25660 818 1 2 . 1 1 55 55 LYS C C 55 177.422 177.422 176.920 0.502 25660 819 1 2 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.887 0.931 25660 820 1 2 . 1 1 55 55 LYS CB C 55 31.536 31.536 32.378 -0.842 25660 821 1 2 . 1 1 55 55 LYS H H 55 7.634 7.634 7.305 0.329 25660 822 1 2 . 1 1 56 56 GLY CA C 56 46.052 46.052 45.788 0.264 25660 823 1 2 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.311 -0.269 25660 824 1 2 . 1 1 57 57 ILE C C 57 173.923 173.923 173.765 0.158 25660 825 1 2 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.871 -1.250 25660 826 1 2 . 1 1 57 57 ILE CB C 57 38.366 38.366 40.736 -2.370 25660 827 1 2 . 1 1 58 58 ILE N N 58 121.053 121.053 120.205 0.848 25660 828 1 2 . 1 1 58 58 ILE HA H 58 4.082 4.082 4.255 -0.173 25660 829 1 2 . 1 1 58 58 ILE C C 58 177.495 177.495 174.247 3.248 25660 830 1 2 . 1 1 58 58 ILE CA C 58 58.867 58.867 59.674 -0.807 25660 831 1 2 . 1 1 58 58 ILE CB C 58 38.504 38.504 42.120 -3.616 25660 832 1 2 . 1 1 58 58 ILE H H 58 7.988 7.988 8.201 -0.213 25660 833 1 2 . 1 1 59 59 TRP N N 59 130.896 130.896 125.483 5.413 25660 834 1 2 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.530 0.299 25660 835 1 2 . 1 1 59 59 TRP C C 59 175.793 175.793 175.611 0.182 25660 836 1 2 . 1 1 59 59 TRP CA C 59 57.229 57.229 56.731 0.498 25660 837 1 2 . 1 1 59 59 TRP CB C 59 29.908 29.908 29.345 0.563 25660 838 1 2 . 1 1 59 59 TRP H H 59 8.931 8.931 8.355 0.576 25660 839 1 2 . 1 1 60 60 GLY N N 60 111.218 111.218 110.542 0.676 25660 840 1 2 . 1 1 60 60 GLY C C 60 171.636 171.636 173.381 -1.745 25660 841 1 2 . 1 1 60 60 GLY CA C 60 44.214 44.214 44.951 -0.737 25660 842 1 2 . 1 1 60 60 GLY H H 60 7.839 7.839 8.612 -0.773 25660 843 1 2 . 1 1 61 61 GLU N N 61 120.606 120.606 118.734 1.872 25660 844 1 2 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.128 -0.270 25660 845 1 2 . 1 1 61 61 GLU C C 61 177.011 177.011 177.924 -0.913 25660 846 1 2 . 1 1 61 61 GLU CA C 61 62.088 62.088 59.553 2.535 25660 847 1 2 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.906 -0.542 25660 848 1 2 . 1 1 61 61 GLU H H 61 9.619 9.619 8.889 0.730 25660 849 1 2 . 1 1 62 62 ASP N N 62 114.943 114.943 116.222 -1.279 25660 850 1 2 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.531 -0.197 25660 851 1 2 . 1 1 62 62 ASP C C 62 179.228 179.228 176.513 2.715 25660 852 1 2 . 1 1 62 62 ASP CA C 62 57.208 57.208 55.737 1.471 25660 853 1 2 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.683 -1.206 25660 854 1 2 . 1 1 62 62 ASP H H 62 8.396 8.396 8.649 -0.253 25660 855 1 2 . 1 1 63 63 THR N N 63 112.857 112.857 108.759 4.098 25660 856 1 2 . 1 1 63 63 THR HA H 63 4.116 4.116 4.567 -0.451 25660 857 1 2 . 1 1 63 63 THR C C 63 177.971 177.971 175.613 2.358 25660 858 1 2 . 1 1 63 63 THR CA C 63 63.601 63.601 63.026 0.575 25660 859 1 2 . 1 1 63 63 THR CB C 63 68.918 68.918 70.504 -1.586 25660 860 1 2 . 1 1 63 63 THR H H 63 8.246 8.246 7.562 0.684 25660 861 1 2 . 1 1 64 64 LEU N N 64 121.355 121.355 124.142 -2.787 25660 862 1 2 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.160 0.073 25660 863 1 2 . 1 1 64 64 LEU C C 64 178.628 178.628 178.618 0.010 25660 864 1 2 . 1 1 64 64 LEU CA C 64 58.314 58.314 58.719 -0.405 25660 865 1 2 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.821 0.534 25660 866 1 2 . 1 1 64 64 LEU H H 64 8.809 8.809 8.850 -0.041 25660 867 1 2 . 1 1 65 65 MET N N 65 118.519 118.519 117.509 1.010 25660 868 1 2 . 1 1 65 65 MET HA H 65 3.896 3.896 4.076 -0.180 25660 869 1 2 . 1 1 65 65 MET C C 65 177.782 177.782 176.747 1.035 25660 870 1 2 . 1 1 65 65 MET CA C 65 57.910 57.910 59.260 -1.350 25660 871 1 2 . 1 1 65 65 MET CB C 65 31.019 31.019 32.510 -1.491 25660 872 1 2 . 1 1 65 65 MET H H 65 7.934 7.934 7.768 0.166 25660 873 1 2 . 1 1 66 66 GLU N N 66 117.027 117.027 117.732 -0.705 25660 874 1 2 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.016 -0.058 25660 875 1 2 . 1 1 66 66 GLU C C 66 178.928 178.928 178.360 0.568 25660 876 1 2 . 1 1 66 66 GLU CA C 66 58.103 58.103 57.744 0.359 25660 877 1 2 . 1 1 66 66 GLU CB C 66 29.676 29.676 28.900 0.776 25660 878 1 2 . 1 1 66 66 GLU H H 66 6.795 6.795 7.757 -0.962 25660 879 1 2 . 1 1 67 67 TYR N N 67 120.608 120.608 122.701 -2.093 25660 880 1 2 . 1 1 67 67 TYR HA H 67 3.501 3.501 3.849 -0.348 25660 881 1 2 . 1 1 67 67 TYR C C 67 176.312 176.312 177.288 -0.976 25660 882 1 2 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.230 -1.319 25660 883 1 2 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.785 1.333 25660 884 1 2 . 1 1 67 67 TYR H H 67 8.170 8.170 8.110 0.060 25660 885 1 2 . 1 1 68 68 LEU N N 68 109.278 109.278 116.502 -7.224 25660 886 1 2 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.808 -0.822 25660 887 1 2 . 1 1 68 68 LEU C C 68 176.652 176.652 178.370 -1.718 25660 888 1 2 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.407 -1.196 25660 889 1 2 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.233 -0.044 25660 890 1 2 . 1 1 68 68 LEU H H 68 8.108 8.108 8.518 -0.410 25660 891 1 2 . 1 1 69 69 GLU N N 69 119.118 119.118 119.897 -0.779 25660 892 1 2 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.054 -0.194 25660 893 1 2 . 1 1 69 69 GLU C C 69 176.033 176.033 175.548 0.485 25660 894 1 2 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.093 -0.567 25660 895 1 2 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.490 -0.941 25660 896 1 2 . 1 1 69 69 GLU H H 69 6.783 6.783 7.912 -1.129 25660 897 1 2 . 1 1 70 70 ASN N N 70 105.553 105.553 111.648 -6.095 25660 898 1 2 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.246 -1.115 25660 899 1 2 . 1 1 70 70 ASN C C 70 172.247 172.247 172.662 -0.415 25660 900 1 2 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.206 0.160 25660 901 1 2 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.682 -1.885 25660 902 1 2 . 1 1 70 70 ASN H H 70 6.092 6.092 7.611 -1.519 25660 903 1 2 . 1 1 71 71 PRO HA H 71 3.517 3.517 3.823 -0.306 25660 904 1 2 . 1 1 71 71 PRO C C 71 176.414 176.414 177.776 -1.362 25660 905 1 2 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.354 0.318 25660 906 1 2 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.959 -2.024 25660 907 1 2 . 1 1 72 72 LYS N N 72 113.454 113.454 115.737 -2.283 25660 908 1 2 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.564 -0.849 25660 909 1 2 . 1 1 72 72 LYS C C 72 177.234 177.234 178.213 -0.979 25660 910 1 2 . 1 1 72 72 LYS CA C 72 57.046 57.046 57.604 -0.558 25660 911 1 2 . 1 1 72 72 LYS CB C 72 31.565 31.565 31.576 -0.011 25660 912 1 2 . 1 1 72 72 LYS H H 72 7.457 7.457 8.710 -1.253 25660 913 1 2 . 1 1 73 73 LYS N N 73 118.522 118.522 118.902 -0.380 25660 914 1 2 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.175 -0.385 25660 915 1 2 . 1 1 73 73 LYS C C 73 176.890 176.890 177.184 -0.294 25660 916 1 2 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.260 -0.853 25660 917 1 2 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.501 0.398 25660 918 1 2 . 1 1 73 73 LYS H H 73 6.855 6.855 7.613 -0.758 25660 919 1 2 . 1 1 74 74 TYR N N 74 118.674 118.674 117.622 1.052 25660 920 1 2 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.576 -0.345 25660 921 1 2 . 1 1 74 74 TYR C C 74 175.794 175.794 174.789 1.005 25660 922 1 2 . 1 1 74 74 TYR CA C 74 60.721 60.721 59.499 1.222 25660 923 1 2 . 1 1 74 74 TYR CB C 74 39.536 39.536 41.980 -2.444 25660 924 1 2 . 1 1 74 74 TYR H H 74 7.219 7.219 7.726 -0.507 25660 925 1 2 . 1 1 75 75 ILE N N 75 114.346 114.346 119.355 -5.009 25660 926 1 2 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.601 -0.534 25660 927 1 2 . 1 1 75 75 ILE C C 75 179.773 179.773 174.041 5.732 25660 928 1 2 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.656 -0.182 25660 929 1 2 . 1 1 75 75 ILE CB C 75 37.615 37.615 40.926 -3.311 25660 930 1 2 . 1 1 75 75 ILE H H 75 8.189 8.189 8.359 -0.170 25660 931 1 2 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.841 -0.364 25660 932 1 2 . 1 1 76 76 PRO C C 76 178.583 178.583 177.576 1.007 25660 933 1 2 . 1 1 76 76 PRO CA C 76 64.021 64.021 63.992 0.029 25660 934 1 2 . 1 1 76 76 PRO CB C 76 31.137 31.137 32.023 -0.886 25660 935 1 2 . 1 1 77 77 GLY N N 77 108.831 108.831 108.376 0.455 25660 936 1 2 . 1 1 77 77 GLY C C 77 174.866 174.866 174.684 0.182 25660 937 1 2 . 1 1 77 77 GLY CA C 77 44.314 44.314 44.540 -0.226 25660 938 1 2 . 1 1 77 77 GLY H H 77 8.563 8.563 8.248 0.315 25660 939 1 2 . 1 1 78 78 THR N N 78 115.541 115.541 115.622 -0.081 25660 940 1 2 . 1 1 78 78 THR HA H 78 4.226 4.226 4.334 -0.108 25660 941 1 2 . 1 1 78 78 THR C C 78 173.114 173.114 175.376 -2.262 25660 942 1 2 . 1 1 78 78 THR CA C 78 61.759 61.759 62.429 -0.670 25660 943 1 2 . 1 1 78 78 THR CB C 78 67.910 67.910 69.524 -1.614 25660 944 1 2 . 1 1 78 78 THR H H 78 7.922 7.922 7.542 0.380 25660 945 1 2 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.402 -0.021 25660 946 1 2 . 1 1 79 79 LYS C C 79 175.845 175.845 176.741 -0.896 25660 947 1 2 . 1 1 79 79 LYS CA C 79 55.526 55.526 55.900 -0.374 25660 948 1 2 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.740 -0.438 25660 949 1 2 . 1 1 80 80 MET N N 80 123.515 123.515 121.917 1.598 25660 950 1 2 . 1 1 80 80 MET HA H 80 2.934 2.934 4.526 -1.592 25660 951 1 2 . 1 1 80 80 MET C C 80 171.833 171.833 174.988 -3.155 25660 952 1 2 . 1 1 80 80 MET CA C 80 55.863 55.863 55.508 0.355 25660 953 1 2 . 1 1 80 80 MET CB C 80 27.552 27.552 32.518 -4.966 25660 954 1 2 . 1 1 80 80 MET H H 80 7.384 7.384 7.541 -0.157 25660 955 1 2 . 1 1 81 81 ILE N N 81 130.146 130.146 128.816 1.330 25660 956 1 2 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.228 -0.743 25660 957 1 2 . 1 1 81 81 ILE C C 81 173.220 173.220 175.233 -2.013 25660 958 1 2 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.831 -1.546 25660 959 1 2 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.254 -0.642 25660 960 1 2 . 1 1 81 81 ILE H H 81 7.856 7.856 8.592 -0.736 25660 961 1 2 . 1 1 82 82 PHE N N 82 123.143 123.143 127.656 -4.513 25660 962 1 2 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.871 -0.544 25660 963 1 2 . 1 1 82 82 PHE C C 82 174.333 174.333 173.918 0.415 25660 964 1 2 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.160 -0.582 25660 965 1 2 . 1 1 82 82 PHE CB C 82 40.644 40.644 43.113 -2.469 25660 966 1 2 . 1 1 82 82 PHE H H 82 6.529 6.529 8.048 -1.519 25660 967 1 2 . 1 1 83 83 VAL N N 83 125.079 125.079 124.120 0.959 25660 968 1 2 . 1 1 83 83 VAL HA H 83 3.286 3.286 4.052 -0.766 25660 969 1 2 . 1 1 83 83 VAL C C 83 174.444 174.444 175.956 -1.512 25660 970 1 2 . 1 1 83 83 VAL CA C 83 64.273 64.273 63.402 0.871 25660 971 1 2 . 1 1 83 83 VAL CB C 83 31.352 31.352 32.135 -0.783 25660 972 1 2 . 1 1 83 83 VAL H H 83 7.739 7.739 8.070 -0.331 25660 973 1 2 . 1 1 84 84 GLY C C 84 172.113 172.113 172.992 -0.879 25660 974 1 2 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.581 -1.746 25660 975 1 2 . 1 1 85 85 ILE N N 85 120.758 120.758 122.386 -1.628 25660 976 1 2 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.285 -0.149 25660 977 1 2 . 1 1 85 85 ILE C C 85 175.103 175.103 176.828 -1.725 25660 978 1 2 . 1 1 85 85 ILE CA C 85 59.390 59.390 61.603 -2.213 25660 979 1 2 . 1 1 85 85 ILE CB C 85 39.528 39.528 37.711 1.817 25660 980 1 2 . 1 1 85 85 ILE H H 85 8.327 8.327 8.934 -0.607 25660 981 1 2 . 1 1 86 86 LYS N N 86 127.466 127.466 127.618 -0.152 25660 982 1 2 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.020 -0.048 25660 983 1 2 . 1 1 86 86 LYS C C 86 178.442 178.442 176.616 1.826 25660 984 1 2 . 1 1 86 86 LYS CA C 86 58.619 58.619 58.830 -0.211 25660 985 1 2 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.500 -0.157 25660 986 1 2 . 1 1 86 86 LYS H H 86 8.518 8.518 8.846 -0.328 25660 987 1 2 . 1 1 87 87 LYS N N 87 120.309 120.309 118.332 1.977 25660 988 1 2 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.559 -0.312 25660 989 1 2 . 1 1 87 87 LYS C C 87 177.569 177.569 176.595 0.974 25660 990 1 2 . 1 1 87 87 LYS CA C 87 56.865 56.865 54.950 1.915 25660 991 1 2 . 1 1 87 87 LYS CB C 87 32.531 32.531 34.229 -1.698 25660 992 1 2 . 1 1 87 87 LYS H H 87 8.368 8.368 7.908 0.460 25660 993 1 2 . 1 1 88 88 LYS N N 88 129.999 129.999 125.145 4.854 25660 994 1 2 . 1 1 88 88 LYS HA H 88 3.562 3.562 3.978 -0.416 25660 995 1 2 . 1 1 88 88 LYS C C 88 177.664 177.664 177.891 -0.227 25660 996 1 2 . 1 1 88 88 LYS CA C 88 60.314 60.314 58.996 1.318 25660 997 1 2 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.021 0.062 25660 998 1 2 . 1 1 88 88 LYS H H 88 9.151 9.151 8.990 0.161 25660 999 1 2 . 1 1 89 89 GLU N N 89 117.925 117.925 120.488 -2.563 25660 1000 1 2 . 1 1 89 89 GLU HA H 89 3.899 3.899 3.973 -0.074 25660 1001 1 2 . 1 1 89 89 GLU C C 89 177.911 177.911 178.602 -0.691 25660 1002 1 2 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.828 -0.068 25660 1003 1 2 . 1 1 89 89 GLU CB C 89 28.814 28.814 29.172 -0.358 25660 1004 1 2 . 1 1 89 89 GLU H H 89 9.462 9.462 8.872 0.590 25660 1005 1 2 . 1 1 90 90 GLU N N 90 116.437 116.437 118.249 -1.812 25660 1006 1 2 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.112 0.086 25660 1007 1 2 . 1 1 90 90 GLU C C 90 178.730 178.730 179.177 -0.447 25660 1008 1 2 . 1 1 90 90 GLU CA C 90 58.277 58.277 58.745 -0.468 25660 1009 1 2 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.712 0.279 25660 1010 1 2 . 1 1 90 90 GLU H H 90 6.347 6.347 7.674 -1.327 25660 1011 1 2 . 1 1 91 91 ARG N N 91 117.405 117.405 118.979 -1.574 25660 1012 1 2 . 1 1 91 91 ARG HA H 91 3.740 3.740 3.925 -0.185 25660 1013 1 2 . 1 1 91 91 ARG C C 91 177.430 177.430 178.521 -1.091 25660 1014 1 2 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.803 1.379 25660 1015 1 2 . 1 1 91 91 ARG CB C 91 31.106 31.106 30.048 1.058 25660 1016 1 2 . 1 1 91 91 ARG H H 91 7.423 7.423 7.717 -0.294 25660 1017 1 2 . 1 1 92 92 ALA N N 92 120.161 120.161 119.935 0.226 25660 1018 1 2 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.136 -0.166 25660 1019 1 2 . 1 1 92 92 ALA C C 92 181.044 181.044 178.474 2.570 25660 1020 1 2 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.783 0.498 25660 1021 1 2 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.569 -1.030 25660 1022 1 2 . 1 1 92 92 ALA H H 92 8.668 8.668 8.089 0.579 25660 1023 1 2 . 1 1 93 93 ASP N N 93 122.101 122.101 119.243 2.858 25660 1024 1 2 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.572 -0.364 25660 1025 1 2 . 1 1 93 93 ASP C C 93 177.634 177.634 178.357 -0.723 25660 1026 1 2 . 1 1 93 93 ASP CA C 93 58.147 58.147 56.914 1.233 25660 1027 1 2 . 1 1 93 93 ASP CB C 93 39.552 39.552 41.233 -1.681 25660 1028 1 2 . 1 1 93 93 ASP H H 93 8.153 8.153 7.555 0.598 25660 1029 1 2 . 1 1 94 94 LEU N N 94 121.208 121.208 122.961 -1.753 25660 1030 1 2 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.085 0.120 25660 1031 1 2 . 1 1 94 94 LEU C C 94 178.395 178.395 178.925 -0.530 25660 1032 1 2 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.182 0.113 25660 1033 1 2 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.291 -0.580 25660 1034 1 2 . 1 1 94 94 LEU H H 94 8.183 8.183 8.275 -0.092 25660 1035 1 2 . 1 1 95 95 ILE N N 95 120.159 120.159 117.497 2.662 25660 1036 1 2 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.677 -0.068 25660 1037 1 2 . 1 1 95 95 ILE C C 95 176.351 176.351 177.381 -1.030 25660 1038 1 2 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.056 1.166 25660 1039 1 2 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.487 0.181 25660 1040 1 2 . 1 1 95 95 ILE H H 95 8.974 8.974 8.459 0.515 25660 1041 1 2 . 1 1 96 96 ALA N N 96 123.001 123.001 123.188 -0.187 25660 1042 1 2 . 1 1 96 96 ALA HA H 96 4.026 4.026 4.001 0.025 25660 1043 1 2 . 1 1 96 96 ALA C C 96 180.700 180.700 179.451 1.249 25660 1044 1 2 . 1 1 96 96 ALA CA C 96 54.933 54.933 54.999 -0.066 25660 1045 1 2 . 1 1 96 96 ALA CB C 96 16.970 16.970 17.827 -0.857 25660 1046 1 2 . 1 1 96 96 ALA H H 96 7.974 7.974 7.361 0.613 25660 1047 1 2 . 1 1 97 97 TYR N N 97 118.224 118.224 120.003 -1.779 25660 1048 1 2 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.108 0.089 25660 1049 1 2 . 1 1 97 97 TYR C C 97 176.278 176.278 177.212 -0.934 25660 1050 1 2 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.553 1.903 25660 1051 1 2 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.206 -1.263 25660 1052 1 2 . 1 1 97 97 TYR H H 97 8.089 8.089 7.774 0.315 25660 1053 1 2 . 1 1 98 98 LEU N N 98 119.118 119.118 118.963 0.155 25660 1054 1 2 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.222 0.112 25660 1055 1 2 . 1 1 98 98 LEU C C 98 179.188 179.188 178.852 0.336 25660 1056 1 2 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.924 -0.274 25660 1057 1 2 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.288 0.357 25660 1058 1 2 . 1 1 98 98 LEU H H 98 8.982 8.982 8.248 0.734 25660 1059 1 2 . 1 1 99 99 LYS N N 99 123.889 123.889 118.963 4.926 25660 1060 1 2 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.013 -0.464 25660 1061 1 2 . 1 1 99 99 LYS C C 99 176.653 176.653 178.753 -2.100 25660 1062 1 2 . 1 1 99 99 LYS CA C 99 59.190 59.190 59.457 -0.267 25660 1063 1 2 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.626 0.243 25660 1064 1 2 . 1 1 99 99 LYS H H 99 8.945 8.945 7.893 1.052 25660 1065 1 2 . 1 1 100 100 LYS N N 100 116.726 116.726 117.977 -1.251 25660 1066 1 2 . 1 1 100 100 LYS HA H 100 3.976 3.976 3.935 0.041 25660 1067 1 2 . 1 1 100 100 LYS C C 100 178.363 178.363 177.573 0.790 25660 1068 1 2 . 1 1 100 100 LYS CA C 100 57.655 57.655 58.377 -0.722 25660 1069 1 2 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.231 0.944 25660 1070 1 2 . 1 1 100 100 LYS H H 100 6.724 6.724 7.330 -0.606 25660 1071 1 2 . 1 1 101 101 ALA N N 101 119.416 119.416 117.807 1.609 25660 1072 1 2 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.306 -0.511 25660 1073 1 2 . 1 1 101 101 ALA C C 101 179.576 179.576 179.841 -0.265 25660 1074 1 2 . 1 1 101 101 ALA CA C 101 54.401 54.401 54.329 0.072 25660 1075 1 2 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.082 -0.730 25660 1076 1 2 . 1 1 101 101 ALA H H 101 8.539 8.539 7.807 0.732 25660 1077 1 2 . 1 1 102 102 THR N N 102 101.974 101.974 109.499 -7.525 25660 1078 1 2 . 1 1 102 102 THR HA H 102 4.157 4.157 3.590 0.567 25660 1079 1 2 . 1 1 102 102 THR C C 102 172.872 172.872 175.523 -2.651 25660 1080 1 2 . 1 1 102 102 THR CA C 102 61.954 61.954 63.260 -1.306 25660 1081 1 2 . 1 1 102 102 THR CB C 102 69.403 69.403 68.968 0.436 25660 1082 1 2 . 1 1 102 102 THR H H 102 7.810 7.810 7.841 -0.031 25660 1083 1 2 . 1 1 103 103 ASN N N 103 118.372 118.372 118.293 0.079 25660 1084 1 2 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.677 0.090 25660 1085 1 2 . 1 1 103 103 ASN C C 103 173.663 173.663 175.530 -1.867 25660 1086 1 2 . 1 1 103 103 ASN CA C 103 52.469 52.469 53.160 -0.690 25660 1087 1 2 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.126 3.250 25660 1088 1 2 . 1 1 103 103 ASN H H 103 6.968 6.968 7.553 -0.585 25660 1089 1 3 . 1 1 2 2 ASP N N 2 124.691 124.691 118.798 5.893 25660 1090 1 3 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.865 -0.090 25660 1091 1 3 . 1 1 2 2 ASP C C 2 175.662 175.662 176.050 -0.388 25660 1092 1 3 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.871 -0.099 25660 1093 1 3 . 1 1 2 2 ASP CB C 2 42.313 42.313 42.791 -0.478 25660 1094 1 3 . 1 1 2 2 ASP H H 2 9.541 9.541 8.067 1.474 25660 1095 1 3 . 1 1 3 3 VAL N N 3 123.739 123.739 118.177 5.562 25660 1096 1 3 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.969 -0.419 25660 1097 1 3 . 1 1 3 3 VAL C C 3 177.302 177.302 177.437 -0.135 25660 1098 1 3 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.620 0.326 25660 1099 1 3 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.342 -0.376 25660 1100 1 3 . 1 1 3 3 VAL H H 3 8.569 8.569 8.229 0.340 25660 1101 1 3 . 1 1 4 4 GLU N N 4 120.310 120.310 120.047 0.263 25660 1102 1 3 . 1 1 4 4 GLU HA H 4 4.008 4.008 3.978 0.030 25660 1103 1 3 . 1 1 4 4 GLU C C 4 180.515 180.515 179.076 1.439 25660 1104 1 3 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.504 -0.541 25660 1105 1 3 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.407 -0.928 25660 1106 1 3 . 1 1 4 4 GLU H H 4 8.083 8.083 7.897 0.186 25660 1107 1 3 . 1 1 5 5 LYS N N 5 121.058 121.058 117.835 3.223 25660 1108 1 3 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.107 -0.208 25660 1109 1 3 . 1 1 5 5 LYS C C 5 180.515 180.515 178.695 1.820 25660 1110 1 3 . 1 1 5 5 LYS CA C 5 59.459 59.459 58.048 1.411 25660 1111 1 3 . 1 1 5 5 LYS CB C 5 32.454 32.454 31.987 0.467 25660 1112 1 3 . 1 1 5 5 LYS H H 5 8.096 8.096 8.193 -0.097 25660 1113 1 3 . 1 1 6 6 GLY N N 6 107.193 107.193 106.886 0.307 25660 1114 1 3 . 1 1 6 6 GLY C C 6 174.012 174.012 175.613 -1.601 25660 1115 1 3 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.049 0.430 25660 1116 1 3 . 1 1 6 6 GLY H H 6 8.709 8.709 7.779 0.930 25660 1117 1 3 . 1 1 7 7 LYS N N 7 124.124 124.124 122.376 1.748 25660 1118 1 3 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.066 -0.906 25660 1119 1 3 . 1 1 7 7 LYS C C 7 177.457 177.457 178.816 -1.359 25660 1120 1 3 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.635 -0.583 25660 1121 1 3 . 1 1 7 7 LYS CB C 7 32.105 32.105 32.010 0.096 25660 1122 1 3 . 1 1 7 7 LYS H H 7 8.039 8.039 7.973 0.066 25660 1123 1 3 . 1 1 8 8 LYS N N 8 116.732 116.732 117.120 -0.388 25660 1124 1 3 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.091 -0.276 25660 1125 1 3 . 1 1 8 8 LYS C C 8 179.228 179.228 179.214 0.014 25660 1126 1 3 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.324 0.998 25660 1127 1 3 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.880 -0.065 25660 1128 1 3 . 1 1 8 8 LYS H H 8 6.958 6.958 7.530 -0.572 25660 1129 1 3 . 1 1 9 9 ILE N N 9 119.269 119.269 119.919 -0.650 25660 1130 1 3 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.977 -0.258 25660 1131 1 3 . 1 1 9 9 ILE C C 9 177.006 177.006 177.713 -0.707 25660 1132 1 3 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.281 2.824 25660 1133 1 3 . 1 1 9 9 ILE CB C 9 37.562 37.562 37.020 0.542 25660 1134 1 3 . 1 1 9 9 ILE H H 9 7.681 7.681 7.602 0.079 25660 1135 1 3 . 1 1 10 10 PHE N N 10 120.908 120.908 122.548 -1.640 25660 1136 1 3 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.305 -0.332 25660 1137 1 3 . 1 1 10 10 PHE C C 10 178.820 178.820 177.839 0.981 25660 1138 1 3 . 1 1 10 10 PHE CA C 10 62.164 62.164 62.109 0.055 25660 1139 1 3 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.649 -0.272 25660 1140 1 3 . 1 1 10 10 PHE H H 10 8.635 8.635 7.969 0.666 25660 1141 1 3 . 1 1 11 11 ILE N N 11 121.053 121.053 117.826 3.227 25660 1142 1 3 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.798 -0.482 25660 1143 1 3 . 1 1 11 11 ILE C C 11 178.867 178.867 177.426 1.441 25660 1144 1 3 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.093 1.529 25660 1145 1 3 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.873 -0.256 25660 1146 1 3 . 1 1 11 11 ILE H H 11 8.834 8.834 8.755 0.079 25660 1147 1 3 . 1 1 12 12 MET N N 12 117.328 117.328 118.368 -1.040 25660 1148 1 3 . 1 1 12 12 MET HA H 12 4.219 4.219 4.341 -0.122 25660 1149 1 3 . 1 1 12 12 MET C C 12 177.972 177.972 177.174 0.798 25660 1150 1 3 . 1 1 12 12 MET CA C 12 58.560 58.560 57.349 1.211 25660 1151 1 3 . 1 1 12 12 MET CB C 12 33.675 33.675 33.193 0.482 25660 1152 1 3 . 1 1 12 12 MET H H 12 8.047 8.047 7.488 0.559 25660 1153 1 3 . 1 1 13 13 LYS N N 13 113.452 113.452 115.938 -2.486 25660 1154 1 3 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.479 0.456 25660 1155 1 3 . 1 1 13 13 LYS C C 13 177.353 177.353 177.027 0.326 25660 1156 1 3 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.847 -0.587 25660 1157 1 3 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.889 0.310 25660 1158 1 3 . 1 1 13 13 LYS H H 13 9.016 9.016 8.252 0.764 25660 1159 1 3 . 1 1 14 14 CYS N N 14 115.390 115.390 117.047 -1.657 25660 1160 1 3 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.588 0.708 25660 1161 1 3 . 1 1 14 14 CYS C C 14 177.723 177.723 175.670 2.053 25660 1162 1 3 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.671 -5.552 25660 1163 1 3 . 1 1 14 14 CYS CB C 14 36.784 36.784 29.627 7.157 25660 1164 1 3 . 1 1 14 14 CYS H H 14 8.130 8.130 8.229 -0.099 25660 1165 1 3 . 1 1 15 15 SER N N 15 114.347 114.347 117.580 -3.233 25660 1166 1 3 . 1 1 15 15 SER HA H 15 3.768 3.768 3.890 -0.122 25660 1167 1 3 . 1 1 15 15 SER C C 15 174.272 174.272 175.948 -1.676 25660 1168 1 3 . 1 1 15 15 SER CA C 15 60.587 60.587 60.866 -0.279 25660 1169 1 3 . 1 1 15 15 SER CB C 15 62.483 62.483 63.149 -0.666 25660 1170 1 3 . 1 1 15 15 SER H H 15 7.297 7.297 7.985 -0.688 25660 1171 1 3 . 1 1 16 16 GLN N N 16 120.608 120.608 117.974 2.634 25660 1172 1 3 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.139 -0.230 25660 1173 1 3 . 1 1 16 16 GLN C C 16 176.559 176.559 176.694 -0.135 25660 1174 1 3 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.728 0.210 25660 1175 1 3 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.497 -0.598 25660 1176 1 3 . 1 1 16 16 GLN H H 16 8.879 8.879 8.361 0.518 25660 1177 1 3 . 1 1 17 17 CYS N N 17 112.857 112.857 115.559 -2.702 25660 1178 1 3 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.724 -0.640 25660 1179 1 3 . 1 1 17 17 CYS C C 17 171.419 171.419 174.878 -3.459 25660 1180 1 3 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.545 -5.579 25660 1181 1 3 . 1 1 17 17 CYS CB C 17 38.172 38.172 29.793 8.379 25660 1182 1 3 . 1 1 17 17 CYS H H 17 6.805 6.805 7.913 -1.108 25660 1183 1 3 . 1 1 18 18 HIS N N 18 113.603 113.603 119.044 -5.441 25660 1184 1 3 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.238 -1.616 25660 1185 1 3 . 1 1 18 18 HIS CA C 18 53.514 53.514 56.741 -3.227 25660 1186 1 3 . 1 1 18 18 HIS CB C 18 31.916 31.916 31.540 0.376 25660 1187 1 3 . 1 1 18 18 HIS H H 18 6.223 6.223 8.283 -2.060 25660 1188 1 3 . 1 1 19 19 THR N N 19 109.280 109.280 114.975 -5.695 25660 1189 1 3 . 1 1 19 19 THR HA H 19 4.413 4.413 4.767 -0.354 25660 1190 1 3 . 1 1 19 19 THR C C 19 174.026 174.026 174.059 -0.033 25660 1191 1 3 . 1 1 19 19 THR CA C 19 58.557 58.557 61.512 -2.955 25660 1192 1 3 . 1 1 19 19 THR CB C 19 71.176 71.176 71.256 -0.080 25660 1193 1 3 . 1 1 19 19 THR H H 19 7.636 7.636 8.470 -0.834 25660 1194 1 3 . 1 1 20 20 VAL N N 20 110.620 110.620 115.352 -4.732 25660 1195 1 3 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.735 -0.970 25660 1196 1 3 . 1 1 20 20 VAL C C 20 173.470 173.470 175.172 -1.702 25660 1197 1 3 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.656 0.138 25660 1198 1 3 . 1 1 20 20 VAL CB C 20 33.427 33.427 31.999 1.428 25660 1199 1 3 . 1 1 20 20 VAL H H 20 7.675 7.675 8.366 -0.691 25660 1200 1 3 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.307 -0.173 25660 1201 1 3 . 1 1 21 21 GLU C C 21 177.538 177.538 175.807 1.731 25660 1202 1 3 . 1 1 21 21 GLU CA C 21 56.452 56.452 56.155 0.297 25660 1203 1 3 . 1 1 21 21 GLU CB C 21 29.646 29.646 31.028 -1.382 25660 1204 1 3 . 1 1 22 22 LYS N N 22 126.123 126.123 122.508 3.615 25660 1205 1 3 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.888 -0.836 25660 1206 1 3 . 1 1 22 22 LYS C C 22 177.538 177.538 177.804 -0.266 25660 1207 1 3 . 1 1 22 22 LYS CA C 22 57.749 57.749 56.561 1.188 25660 1208 1 3 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.592 -1.651 25660 1209 1 3 . 1 1 22 22 LYS H H 22 8.717 8.717 8.415 0.302 25660 1210 1 3 . 1 1 23 23 GLY N N 23 117.177 117.177 111.317 5.860 25660 1211 1 3 . 1 1 23 23 GLY C C 23 174.531 174.531 174.510 0.021 25660 1212 1 3 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.990 -0.084 25660 1213 1 3 . 1 1 23 23 GLY H H 23 9.078 9.078 8.730 0.348 25660 1214 1 3 . 1 1 24 24 GLY N N 24 107.042 107.042 108.752 -1.710 25660 1215 1 3 . 1 1 24 24 GLY C C 24 172.234 172.234 172.619 -0.385 25660 1216 1 3 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.697 -0.551 25660 1217 1 3 . 1 1 24 24 GLY H H 24 7.730 7.730 7.568 0.162 25660 1218 1 3 . 1 1 25 25 LYS N N 25 118.452 118.452 118.810 -0.358 25660 1219 1 3 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.478 -0.645 25660 1220 1 3 . 1 1 25 25 LYS C C 25 178.209 178.209 174.499 3.710 25660 1221 1 3 . 1 1 25 25 LYS CA C 25 55.712 55.712 55.035 0.677 25660 1222 1 3 . 1 1 25 25 LYS CB C 25 32.861 32.861 35.582 -2.721 25660 1223 1 3 . 1 1 25 25 LYS H H 25 8.222 8.222 8.407 -0.185 25660 1224 1 3 . 1 1 26 26 HIS N N 26 122.465 122.465 123.195 -0.730 25660 1225 1 3 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.575 -0.383 25660 1226 1 3 . 1 1 26 26 HIS C C 26 175.081 175.081 174.855 0.226 25660 1227 1 3 . 1 1 26 26 HIS CA C 26 55.813 55.813 57.601 -1.788 25660 1228 1 3 . 1 1 26 26 HIS CB C 26 30.173 30.173 30.259 -0.086 25660 1229 1 3 . 1 1 26 26 HIS H H 26 8.545 8.545 8.566 -0.021 25660 1230 1 3 . 1 1 27 27 LYS N N 27 126.571 126.571 126.458 0.113 25660 1231 1 3 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.616 -0.246 25660 1232 1 3 . 1 1 27 27 LYS C C 27 175.781 175.781 176.139 -0.358 25660 1233 1 3 . 1 1 27 27 LYS CA C 27 55.066 55.066 55.200 -0.133 25660 1234 1 3 . 1 1 27 27 LYS CB C 27 30.731 30.731 33.306 -2.575 25660 1235 1 3 . 1 1 27 27 LYS H H 27 7.439 7.439 7.718 -0.279 25660 1236 1 3 . 1 1 28 28 THR HA H 28 4.017 4.017 4.019 -0.002 25660 1237 1 3 . 1 1 28 28 THR C C 28 174.931 174.931 175.072 -0.141 25660 1238 1 3 . 1 1 28 28 THR CA C 28 67.083 67.083 64.377 2.706 25660 1239 1 3 . 1 1 28 28 THR CB C 28 69.766 69.766 68.852 0.914 25660 1240 1 3 . 1 1 29 29 GLY N N 29 106.150 106.150 108.249 -2.099 25660 1241 1 3 . 1 1 29 29 GLY C C 29 169.328 169.328 171.606 -2.278 25660 1242 1 3 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.823 -1.941 25660 1243 1 3 . 1 1 29 29 GLY H H 29 7.548 7.548 7.433 0.115 25660 1244 1 3 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.691 -1.101 25660 1245 1 3 . 1 1 30 30 PRO CA C 30 60.269 60.269 61.681 -1.412 25660 1246 1 3 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.940 -2.920 25660 1247 1 3 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.766 -0.743 25660 1248 1 3 . 1 1 31 31 ASN C C 31 176.303 176.303 175.880 0.423 25660 1249 1 3 . 1 1 31 31 ASN CA C 31 54.344 54.344 53.559 0.784 25660 1250 1 3 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.890 0.895 25660 1251 1 3 . 1 1 31 31 ASN H H 31 10.198 10.198 8.247 1.951 25660 1252 1 3 . 1 1 32 32 LEU N N 32 121.653 121.653 114.257 7.396 25660 1253 1 3 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.699 0.168 25660 1254 1 3 . 1 1 32 32 LEU C C 32 174.533 174.533 175.083 -0.550 25660 1255 1 3 . 1 1 32 32 LEU CA C 32 53.287 53.287 56.207 -2.920 25660 1256 1 3 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.308 1.212 25660 1257 1 3 . 1 1 32 32 LEU H H 32 7.889 7.889 8.055 -0.166 25660 1258 1 3 . 1 1 33 33 HIS N N 33 119.860 119.860 117.804 2.056 25660 1259 1 3 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.278 -0.571 25660 1260 1 3 . 1 1 33 33 HIS C C 33 176.992 176.992 176.176 0.816 25660 1261 1 3 . 1 1 33 33 HIS CA C 33 60.491 60.491 57.983 2.508 25660 1262 1 3 . 1 1 33 33 HIS CB C 33 28.223 28.223 30.046 -1.823 25660 1263 1 3 . 1 1 33 33 HIS H H 33 7.445 7.445 7.773 -0.328 25660 1264 1 3 . 1 1 34 34 GLY N N 34 114.645 114.645 115.033 -0.388 25660 1265 1 3 . 1 1 34 34 GLY C C 34 174.473 174.473 174.773 -0.300 25660 1266 1 3 . 1 1 34 34 GLY CA C 34 45.713 45.713 46.142 -0.429 25660 1267 1 3 . 1 1 34 34 GLY H H 34 8.763 8.763 8.312 0.451 25660 1268 1 3 . 1 1 35 35 LEU N N 35 117.774 117.774 119.581 -1.807 25660 1269 1 3 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.009 -0.482 25660 1270 1 3 . 1 1 35 35 LEU C C 35 176.507 176.507 176.201 0.306 25660 1271 1 3 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.356 0.103 25660 1272 1 3 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.401 1.407 25660 1273 1 3 . 1 1 35 35 LEU H H 35 7.010 7.010 7.485 -0.475 25660 1274 1 3 . 1 1 36 36 PHE N N 36 113.600 113.600 117.038 -3.438 25660 1275 1 3 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.693 -0.845 25660 1276 1 3 . 1 1 36 36 PHE C C 36 176.553 176.553 176.951 -0.398 25660 1277 1 3 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.028 0.674 25660 1278 1 3 . 1 1 36 36 PHE CB C 36 36.223 36.223 38.577 -2.354 25660 1279 1 3 . 1 1 36 36 PHE H H 36 8.694 8.694 7.901 0.793 25660 1280 1 3 . 1 1 37 37 GLY N N 37 112.857 112.857 114.158 -1.301 25660 1281 1 3 . 1 1 37 37 GLY C C 37 173.382 173.382 173.494 -0.112 25660 1282 1 3 . 1 1 37 37 GLY CA C 37 44.455 44.455 45.043 -0.588 25660 1283 1 3 . 1 1 37 37 GLY H H 37 8.839 8.839 8.979 -0.140 25660 1284 1 3 . 1 1 38 38 ARG N N 38 124.035 124.035 119.137 4.898 25660 1285 1 3 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.736 -0.287 25660 1286 1 3 . 1 1 38 38 ARG C C 38 174.415 174.415 174.991 -0.576 25660 1287 1 3 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.370 1.394 25660 1288 1 3 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.306 0.105 25660 1289 1 3 . 1 1 38 38 ARG H H 38 8.215 8.215 7.638 0.577 25660 1290 1 3 . 1 1 39 39 LYS N N 39 123.290 123.290 121.575 1.715 25660 1291 1 3 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.230 0.617 25660 1292 1 3 . 1 1 39 39 LYS C C 39 172.219 172.219 175.972 -3.753 25660 1293 1 3 . 1 1 39 39 LYS CA C 39 55.199 55.199 55.223 -0.024 25660 1294 1 3 . 1 1 39 39 LYS CB C 39 33.682 33.682 34.115 -0.433 25660 1295 1 3 . 1 1 39 39 LYS H H 39 8.147 8.147 8.432 -0.285 25660 1296 1 3 . 1 1 40 40 THR N N 40 113.158 113.158 111.620 1.538 25660 1297 1 3 . 1 1 40 40 THR HA H 40 4.463 4.463 4.784 -0.321 25660 1298 1 3 . 1 1 40 40 THR C C 40 175.638 175.638 175.135 0.503 25660 1299 1 3 . 1 1 40 40 THR CA C 40 61.920 61.920 59.974 1.946 25660 1300 1 3 . 1 1 40 40 THR CB C 40 68.539 68.539 71.348 -2.809 25660 1301 1 3 . 1 1 40 40 THR H H 40 7.804 7.804 8.178 -0.374 25660 1302 1 3 . 1 1 41 41 GLY N N 41 111.811 111.811 107.558 4.253 25660 1303 1 3 . 1 1 41 41 GLY C C 41 174.720 174.720 174.531 0.189 25660 1304 1 3 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.271 0.138 25660 1305 1 3 . 1 1 41 41 GLY H H 41 9.040 9.040 8.746 0.294 25660 1306 1 3 . 1 1 42 42 GLN N N 42 117.180 117.180 115.520 1.660 25660 1307 1 3 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.520 -0.166 25660 1308 1 3 . 1 1 42 42 GLN C C 42 175.152 175.152 174.930 0.222 25660 1309 1 3 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.415 -0.800 25660 1310 1 3 . 1 1 42 42 GLN CB C 42 28.977 28.977 30.033 -1.056 25660 1311 1 3 . 1 1 42 42 GLN H H 42 8.084 8.084 8.449 -0.365 25660 1312 1 3 . 1 1 43 43 ALA N N 43 125.825 125.825 125.074 0.751 25660 1313 1 3 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.907 -0.371 25660 1314 1 3 . 1 1 43 43 ALA C C 43 175.308 175.308 175.901 -0.593 25660 1315 1 3 . 1 1 43 43 ALA CA C 43 49.991 49.991 49.614 0.378 25660 1316 1 3 . 1 1 43 43 ALA CB C 43 18.488 18.488 19.270 -0.782 25660 1317 1 3 . 1 1 43 43 ALA H H 43 8.063 8.063 8.064 -0.001 25660 1318 1 3 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.199 0.157 25660 1319 1 3 . 1 1 44 44 PRO C C 44 178.294 178.294 177.724 0.570 25660 1320 1 3 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.709 -1.253 25660 1321 1 3 . 1 1 44 44 PRO CB C 44 31.514 31.514 32.072 -0.558 25660 1322 1 3 . 1 1 45 45 GLY N N 45 112.024 112.024 105.268 6.756 25660 1323 1 3 . 1 1 45 45 GLY C C 45 173.301 173.301 174.116 -0.815 25660 1324 1 3 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.199 0.151 25660 1325 1 3 . 1 1 45 45 GLY H H 45 8.831 8.831 8.073 0.758 25660 1326 1 3 . 1 1 46 46 TYR N N 46 120.307 120.307 117.907 2.400 25660 1327 1 3 . 1 1 46 46 TYR HA H 46 4.192 4.192 5.025 -0.833 25660 1328 1 3 . 1 1 46 46 TYR C C 46 174.910 174.910 174.420 0.490 25660 1329 1 3 . 1 1 46 46 TYR CA C 46 57.515 57.515 56.706 0.809 25660 1330 1 3 . 1 1 46 46 TYR CB C 46 39.539 39.539 41.604 -2.065 25660 1331 1 3 . 1 1 46 46 TYR H H 46 7.661 7.661 7.459 0.202 25660 1332 1 3 . 1 1 50 50 ALA N N 50 125.381 125.381 130.170 -4.789 25660 1333 1 3 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.562 -0.396 25660 1334 1 3 . 1 1 50 50 ALA C C 50 178.430 178.430 178.342 0.088 25660 1335 1 3 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.323 0.490 25660 1336 1 3 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.137 -1.195 25660 1337 1 3 . 1 1 50 50 ALA H H 50 8.507 8.507 8.668 -0.161 25660 1338 1 3 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.929 0.064 25660 1339 1 3 . 1 1 51 51 ALA C C 51 178.634 178.634 179.190 -0.556 25660 1340 1 3 . 1 1 51 51 ALA CA C 51 53.932 53.932 55.002 -1.070 25660 1341 1 3 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.407 -0.158 25660 1342 1 3 . 1 1 52 52 ASN N N 52 117.178 117.178 114.081 3.097 25660 1343 1 3 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.492 -0.163 25660 1344 1 3 . 1 1 52 52 ASN C C 52 176.255 176.255 177.021 -0.766 25660 1345 1 3 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.612 0.157 25660 1346 1 3 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.268 0.985 25660 1347 1 3 . 1 1 52 52 ASN H H 52 8.286 8.286 8.157 0.129 25660 1348 1 3 . 1 1 53 53 LYS N N 53 120.164 120.164 119.951 0.213 25660 1349 1 3 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.231 -0.503 25660 1350 1 3 . 1 1 53 53 LYS C C 53 177.676 177.676 177.639 0.037 25660 1351 1 3 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.645 -0.243 25660 1352 1 3 . 1 1 53 53 LYS CB C 53 32.296 32.296 33.267 -0.971 25660 1353 1 3 . 1 1 53 53 LYS H H 53 8.152 8.152 8.085 0.067 25660 1354 1 3 . 1 1 54 54 ASN N N 54 116.286 116.286 118.623 -2.337 25660 1355 1 3 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.605 -0.216 25660 1356 1 3 . 1 1 54 54 ASN C C 54 175.501 175.501 176.429 -0.928 25660 1357 1 3 . 1 1 54 54 ASN CA C 54 53.488 53.488 54.726 -1.238 25660 1358 1 3 . 1 1 54 54 ASN CB C 54 38.101 38.101 38.628 -0.527 25660 1359 1 3 . 1 1 54 54 ASN H H 54 8.553 8.553 8.132 0.421 25660 1360 1 3 . 1 1 55 55 LYS N N 55 121.354 121.354 119.481 1.873 25660 1361 1 3 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.086 -0.054 25660 1362 1 3 . 1 1 55 55 LYS C C 55 177.422 177.422 177.575 -0.153 25660 1363 1 3 . 1 1 55 55 LYS CA C 55 56.818 56.818 56.036 0.782 25660 1364 1 3 . 1 1 55 55 LYS CB C 55 31.536 31.536 31.950 -0.414 25660 1365 1 3 . 1 1 55 55 LYS H H 55 7.634 7.634 7.530 0.104 25660 1366 1 3 . 1 1 56 56 GLY CA C 56 46.052 46.052 46.066 -0.014 25660 1367 1 3 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.528 -0.486 25660 1368 1 3 . 1 1 57 57 ILE C C 57 173.923 173.923 174.691 -0.768 25660 1369 1 3 . 1 1 57 57 ILE CA C 57 58.621 58.621 58.267 0.354 25660 1370 1 3 . 1 1 57 57 ILE CB C 57 38.366 38.366 41.304 -2.938 25660 1371 1 3 . 1 1 58 58 ILE N N 58 121.053 121.053 116.676 4.377 25660 1372 1 3 . 1 1 58 58 ILE HA H 58 4.082 4.082 4.152 -0.070 25660 1373 1 3 . 1 1 58 58 ILE C C 58 177.495 177.495 175.826 1.669 25660 1374 1 3 . 1 1 58 58 ILE CA C 58 58.867 58.867 60.292 -1.425 25660 1375 1 3 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.985 -0.481 25660 1376 1 3 . 1 1 58 58 ILE H H 58 7.988 7.988 8.066 -0.078 25660 1377 1 3 . 1 1 59 59 TRP N N 59 130.896 130.896 121.692 9.204 25660 1378 1 3 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.442 0.387 25660 1379 1 3 . 1 1 59 59 TRP C C 59 175.793 175.793 175.993 -0.200 25660 1380 1 3 . 1 1 59 59 TRP CA C 59 57.229 57.229 57.416 -0.187 25660 1381 1 3 . 1 1 59 59 TRP CB C 59 29.908 29.908 28.823 1.085 25660 1382 1 3 . 1 1 59 59 TRP H H 59 8.931 8.931 8.292 0.639 25660 1383 1 3 . 1 1 60 60 GLY N N 60 111.218 111.218 110.046 1.172 25660 1384 1 3 . 1 1 60 60 GLY C C 60 171.636 171.636 173.449 -1.813 25660 1385 1 3 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.392 -1.178 25660 1386 1 3 . 1 1 60 60 GLY H H 60 7.839 7.839 8.387 -0.548 25660 1387 1 3 . 1 1 61 61 GLU N N 61 120.606 120.606 118.994 1.612 25660 1388 1 3 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.048 -0.190 25660 1389 1 3 . 1 1 61 61 GLU C C 61 177.011 177.011 178.590 -1.579 25660 1390 1 3 . 1 1 61 61 GLU CA C 61 62.088 62.088 59.910 2.178 25660 1391 1 3 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.842 -0.478 25660 1392 1 3 . 1 1 61 61 GLU H H 61 9.619 9.619 8.866 0.753 25660 1393 1 3 . 1 1 62 62 ASP N N 62 114.943 114.943 116.899 -1.956 25660 1394 1 3 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.578 -0.244 25660 1395 1 3 . 1 1 62 62 ASP C C 62 179.228 179.228 178.113 1.115 25660 1396 1 3 . 1 1 62 62 ASP CA C 62 57.208 57.208 57.140 0.068 25660 1397 1 3 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.685 -1.208 25660 1398 1 3 . 1 1 62 62 ASP H H 62 8.396 8.396 8.627 -0.231 25660 1399 1 3 . 1 1 63 63 THR N N 63 112.857 112.857 112.548 0.309 25660 1400 1 3 . 1 1 63 63 THR HA H 63 4.116 4.116 4.206 -0.090 25660 1401 1 3 . 1 1 63 63 THR C C 63 177.971 177.971 176.303 1.668 25660 1402 1 3 . 1 1 63 63 THR CA C 63 63.601 63.601 65.341 -1.740 25660 1403 1 3 . 1 1 63 63 THR CB C 63 68.918 68.918 69.081 -0.163 25660 1404 1 3 . 1 1 63 63 THR H H 63 8.246 8.246 7.358 0.888 25660 1405 1 3 . 1 1 64 64 LEU N N 64 121.355 121.355 122.992 -1.637 25660 1406 1 3 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.105 0.128 25660 1407 1 3 . 1 1 64 64 LEU C C 64 178.628 178.628 178.996 -0.368 25660 1408 1 3 . 1 1 64 64 LEU CA C 64 58.314 58.314 57.564 0.750 25660 1409 1 3 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.466 0.889 25660 1410 1 3 . 1 1 64 64 LEU H H 64 8.809 8.809 8.499 0.310 25660 1411 1 3 . 1 1 65 65 MET N N 65 118.519 118.519 119.156 -0.637 25660 1412 1 3 . 1 1 65 65 MET HA H 65 3.896 3.896 4.177 -0.281 25660 1413 1 3 . 1 1 65 65 MET C C 65 177.782 177.782 177.375 0.407 25660 1414 1 3 . 1 1 65 65 MET CA C 65 57.910 57.910 58.112 -0.202 25660 1415 1 3 . 1 1 65 65 MET CB C 65 31.019 31.019 32.272 -1.253 25660 1416 1 3 . 1 1 65 65 MET H H 65 7.934 7.934 7.769 0.165 25660 1417 1 3 . 1 1 66 66 GLU N N 66 117.027 117.027 119.569 -2.542 25660 1418 1 3 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.177 -0.219 25660 1419 1 3 . 1 1 66 66 GLU C C 66 178.928 178.928 178.758 0.170 25660 1420 1 3 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.588 -0.485 25660 1421 1 3 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.211 0.465 25660 1422 1 3 . 1 1 66 66 GLU H H 66 6.795 6.795 7.736 -0.941 25660 1423 1 3 . 1 1 67 67 TYR N N 67 120.608 120.608 121.973 -1.365 25660 1424 1 3 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.222 -0.721 25660 1425 1 3 . 1 1 67 67 TYR C C 67 176.312 176.312 176.997 -0.685 25660 1426 1 3 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.542 -1.631 25660 1427 1 3 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.650 1.468 25660 1428 1 3 . 1 1 67 67 TYR H H 67 8.170 8.170 7.796 0.374 25660 1429 1 3 . 1 1 68 68 LEU N N 68 109.278 109.278 116.785 -7.507 25660 1430 1 3 . 1 1 68 68 LEU HA H 68 2.986 2.986 4.014 -1.028 25660 1431 1 3 . 1 1 68 68 LEU C C 68 176.652 176.652 178.624 -1.972 25660 1432 1 3 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.551 -1.340 25660 1433 1 3 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.902 -0.714 25660 1434 1 3 . 1 1 68 68 LEU H H 68 8.108 8.108 8.344 -0.236 25660 1435 1 3 . 1 1 69 69 GLU N N 69 119.118 119.118 121.028 -1.910 25660 1436 1 3 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.358 -0.498 25660 1437 1 3 . 1 1 69 69 GLU C C 69 176.033 176.033 176.107 -0.074 25660 1438 1 3 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.061 -0.535 25660 1439 1 3 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.741 -1.192 25660 1440 1 3 . 1 1 69 69 GLU H H 69 6.783 6.783 8.037 -1.254 25660 1441 1 3 . 1 1 70 70 ASN N N 70 105.553 105.553 111.394 -5.841 25660 1442 1 3 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.215 -1.084 25660 1443 1 3 . 1 1 70 70 ASN C C 70 172.247 172.247 173.245 -0.998 25660 1444 1 3 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.441 -0.076 25660 1445 1 3 . 1 1 70 70 ASN CB C 70 36.797 36.797 39.115 -2.318 25660 1446 1 3 . 1 1 70 70 ASN H H 70 6.092 6.092 7.835 -1.743 25660 1447 1 3 . 1 1 71 71 PRO HA H 71 3.517 3.517 4.180 -0.663 25660 1448 1 3 . 1 1 71 71 PRO C C 71 176.414 176.414 177.919 -1.505 25660 1449 1 3 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.282 0.390 25660 1450 1 3 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.559 -1.624 25660 1451 1 3 . 1 1 72 72 LYS N N 72 113.454 113.454 117.286 -3.832 25660 1452 1 3 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.431 -0.716 25660 1453 1 3 . 1 1 72 72 LYS C C 72 177.234 177.234 178.012 -0.778 25660 1454 1 3 . 1 1 72 72 LYS CA C 72 57.046 57.046 58.117 -1.071 25660 1455 1 3 . 1 1 72 72 LYS CB C 72 31.565 31.565 30.768 0.797 25660 1456 1 3 . 1 1 72 72 LYS H H 72 7.457 7.457 8.475 -1.018 25660 1457 1 3 . 1 1 73 73 LYS N N 73 118.522 118.522 117.490 1.032 25660 1458 1 3 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.238 -0.448 25660 1459 1 3 . 1 1 73 73 LYS C C 73 176.890 176.890 177.343 -0.453 25660 1460 1 3 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.258 -0.851 25660 1461 1 3 . 1 1 73 73 LYS CB C 73 32.899 32.899 33.036 -0.137 25660 1462 1 3 . 1 1 73 73 LYS H H 73 6.855 6.855 7.883 -1.028 25660 1463 1 3 . 1 1 74 74 TYR N N 74 118.674 118.674 119.039 -0.365 25660 1464 1 3 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.419 -0.188 25660 1465 1 3 . 1 1 74 74 TYR C C 74 175.794 175.794 175.477 0.317 25660 1466 1 3 . 1 1 74 74 TYR CA C 74 60.721 60.721 60.808 -0.087 25660 1467 1 3 . 1 1 74 74 TYR CB C 74 39.536 39.536 41.576 -2.040 25660 1468 1 3 . 1 1 74 74 TYR H H 74 7.219 7.219 7.732 -0.513 25660 1469 1 3 . 1 1 75 75 ILE N N 75 114.346 114.346 117.731 -3.385 25660 1470 1 3 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.541 -0.474 25660 1471 1 3 . 1 1 75 75 ILE C C 75 179.773 179.773 174.571 5.202 25660 1472 1 3 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.981 -0.507 25660 1473 1 3 . 1 1 75 75 ILE CB C 75 37.615 37.615 40.779 -3.164 25660 1474 1 3 . 1 1 75 75 ILE H H 75 8.189 8.189 8.408 -0.219 25660 1475 1 3 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.455 0.022 25660 1476 1 3 . 1 1 76 76 PRO C C 76 178.583 178.583 177.784 0.799 25660 1477 1 3 . 1 1 76 76 PRO CA C 76 64.021 64.021 63.969 0.052 25660 1478 1 3 . 1 1 76 76 PRO CB C 76 31.137 31.137 32.245 -1.108 25660 1479 1 3 . 1 1 77 77 GLY N N 77 108.831 108.831 109.779 -0.948 25660 1480 1 3 . 1 1 77 77 GLY C C 77 174.866 174.866 172.977 1.889 25660 1481 1 3 . 1 1 77 77 GLY CA C 77 44.314 44.314 44.558 -0.244 25660 1482 1 3 . 1 1 77 77 GLY H H 77 8.563 8.563 8.366 0.197 25660 1483 1 3 . 1 1 78 78 THR N N 78 115.541 115.541 114.487 1.054 25660 1484 1 3 . 1 1 78 78 THR HA H 78 4.226 4.226 4.716 -0.490 25660 1485 1 3 . 1 1 78 78 THR C C 78 173.114 173.114 174.322 -1.208 25660 1486 1 3 . 1 1 78 78 THR CA C 78 61.759 61.759 60.109 1.650 25660 1487 1 3 . 1 1 78 78 THR CB C 78 67.910 67.910 70.726 -2.816 25660 1488 1 3 . 1 1 78 78 THR H H 78 7.922 7.922 7.661 0.261 25660 1489 1 3 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.408 -0.027 25660 1490 1 3 . 1 1 79 79 LYS C C 79 175.845 175.845 176.887 -1.042 25660 1491 1 3 . 1 1 79 79 LYS CA C 79 55.526 55.526 56.057 -0.531 25660 1492 1 3 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.643 -0.340 25660 1493 1 3 . 1 1 80 80 MET N N 80 123.515 123.515 122.284 1.231 25660 1494 1 3 . 1 1 80 80 MET HA H 80 2.934 2.934 4.352 -1.418 25660 1495 1 3 . 1 1 80 80 MET C C 80 171.833 171.833 175.346 -3.513 25660 1496 1 3 . 1 1 80 80 MET CA C 80 55.863 55.863 56.109 -0.246 25660 1497 1 3 . 1 1 80 80 MET CB C 80 27.552 27.552 32.297 -4.745 25660 1498 1 3 . 1 1 80 80 MET H H 80 7.384 7.384 7.657 -0.273 25660 1499 1 3 . 1 1 81 81 ILE N N 81 130.146 130.146 128.816 1.330 25660 1500 1 3 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.103 -0.618 25660 1501 1 3 . 1 1 81 81 ILE C C 81 173.220 173.220 174.969 -1.749 25660 1502 1 3 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.468 -1.183 25660 1503 1 3 . 1 1 81 81 ILE CB C 81 34.612 34.612 34.797 -0.185 25660 1504 1 3 . 1 1 81 81 ILE H H 81 7.856 7.856 8.336 -0.480 25660 1505 1 3 . 1 1 82 82 PHE N N 82 123.143 123.143 126.342 -3.199 25660 1506 1 3 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.769 -0.442 25660 1507 1 3 . 1 1 82 82 PHE C C 82 174.333 174.333 174.196 0.137 25660 1508 1 3 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.586 -1.008 25660 1509 1 3 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.691 -2.046 25660 1510 1 3 . 1 1 82 82 PHE H H 82 6.529 6.529 7.973 -1.444 25660 1511 1 3 . 1 1 83 83 VAL N N 83 125.079 125.079 123.055 2.024 25660 1512 1 3 . 1 1 83 83 VAL HA H 83 3.286 3.286 4.140 -0.854 25660 1513 1 3 . 1 1 83 83 VAL C C 83 174.444 174.444 175.408 -0.964 25660 1514 1 3 . 1 1 83 83 VAL CA C 83 64.273 64.273 61.474 2.799 25660 1515 1 3 . 1 1 83 83 VAL CB C 83 31.352 31.352 32.509 -1.157 25660 1516 1 3 . 1 1 83 83 VAL H H 83 7.739 7.739 7.675 0.064 25660 1517 1 3 . 1 1 84 84 GLY C C 84 172.113 172.113 172.887 -0.774 25660 1518 1 3 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.569 -1.733 25660 1519 1 3 . 1 1 85 85 ILE N N 85 120.758 120.758 121.099 -0.341 25660 1520 1 3 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.411 -0.275 25660 1521 1 3 . 1 1 85 85 ILE C C 85 175.103 175.103 176.312 -1.209 25660 1522 1 3 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.432 -1.042 25660 1523 1 3 . 1 1 85 85 ILE CB C 85 39.528 39.528 39.587 -0.059 25660 1524 1 3 . 1 1 85 85 ILE H H 85 8.327 8.327 8.814 -0.487 25660 1525 1 3 . 1 1 86 86 LYS N N 86 127.466 127.466 127.110 0.356 25660 1526 1 3 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.262 -0.290 25660 1527 1 3 . 1 1 86 86 LYS C C 86 178.442 178.442 176.829 1.613 25660 1528 1 3 . 1 1 86 86 LYS CA C 86 58.619 58.619 57.853 0.766 25660 1529 1 3 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.964 -0.621 25660 1530 1 3 . 1 1 86 86 LYS H H 86 8.518 8.518 8.690 -0.172 25660 1531 1 3 . 1 1 87 87 LYS N N 87 120.309 120.309 120.631 -0.322 25660 1532 1 3 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.374 -0.127 25660 1533 1 3 . 1 1 87 87 LYS C C 87 177.569 177.569 177.167 0.402 25660 1534 1 3 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.543 1.322 25660 1535 1 3 . 1 1 87 87 LYS CB C 87 32.531 32.531 32.983 -0.452 25660 1536 1 3 . 1 1 87 87 LYS H H 87 8.368 8.368 8.065 0.303 25660 1537 1 3 . 1 1 88 88 LYS N N 88 129.999 129.999 125.449 4.550 25660 1538 1 3 . 1 1 88 88 LYS HA H 88 3.562 3.562 3.959 -0.397 25660 1539 1 3 . 1 1 88 88 LYS C C 88 177.664 177.664 178.650 -0.986 25660 1540 1 3 . 1 1 88 88 LYS CA C 88 60.314 60.314 60.003 0.311 25660 1541 1 3 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.740 -0.657 25660 1542 1 3 . 1 1 88 88 LYS H H 88 9.151 9.151 8.929 0.222 25660 1543 1 3 . 1 1 89 89 GLU N N 89 117.925 117.925 119.208 -1.283 25660 1544 1 3 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.055 -0.156 25660 1545 1 3 . 1 1 89 89 GLU C C 89 177.911 177.911 178.510 -0.599 25660 1546 1 3 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.931 -0.171 25660 1547 1 3 . 1 1 89 89 GLU CB C 89 28.814 28.814 29.253 -0.439 25660 1548 1 3 . 1 1 89 89 GLU H H 89 9.462 9.462 8.784 0.678 25660 1549 1 3 . 1 1 90 90 GLU N N 90 116.437 116.437 118.062 -1.625 25660 1550 1 3 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.053 0.145 25660 1551 1 3 . 1 1 90 90 GLU C C 90 178.730 178.730 179.435 -0.705 25660 1552 1 3 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.551 -1.274 25660 1553 1 3 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.389 0.601 25660 1554 1 3 . 1 1 90 90 GLU H H 90 6.347 6.347 8.535 -2.188 25660 1555 1 3 . 1 1 91 91 ARG N N 91 117.405 117.405 118.342 -0.937 25660 1556 1 3 . 1 1 91 91 ARG HA H 91 3.740 3.740 3.995 -0.255 25660 1557 1 3 . 1 1 91 91 ARG C C 91 177.430 177.430 178.468 -1.038 25660 1558 1 3 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.718 1.464 25660 1559 1 3 . 1 1 91 91 ARG CB C 91 31.106 31.106 30.245 0.861 25660 1560 1 3 . 1 1 91 91 ARG H H 91 7.423 7.423 7.691 -0.268 25660 1561 1 3 . 1 1 92 92 ALA N N 92 120.161 120.161 121.252 -1.091 25660 1562 1 3 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.198 -0.228 25660 1563 1 3 . 1 1 92 92 ALA C C 92 181.044 181.044 179.276 1.768 25660 1564 1 3 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.534 0.747 25660 1565 1 3 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.535 -0.996 25660 1566 1 3 . 1 1 92 92 ALA H H 92 8.668 8.668 8.341 0.327 25660 1567 1 3 . 1 1 93 93 ASP N N 93 122.101 122.101 120.654 1.447 25660 1568 1 3 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.462 -0.254 25660 1569 1 3 . 1 1 93 93 ASP C C 93 177.634 177.634 178.216 -0.582 25660 1570 1 3 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.504 0.643 25660 1571 1 3 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.765 -1.213 25660 1572 1 3 . 1 1 93 93 ASP H H 93 8.153 8.153 8.052 0.101 25660 1573 1 3 . 1 1 94 94 LEU N N 94 121.208 121.208 122.106 -0.898 25660 1574 1 3 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.114 0.091 25660 1575 1 3 . 1 1 94 94 LEU C C 94 178.395 178.395 178.894 -0.499 25660 1576 1 3 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.043 0.252 25660 1577 1 3 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.245 -0.534 25660 1578 1 3 . 1 1 94 94 LEU H H 94 8.183 8.183 8.071 0.112 25660 1579 1 3 . 1 1 95 95 ILE N N 95 120.159 120.159 117.832 2.327 25660 1580 1 3 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.682 -0.073 25660 1581 1 3 . 1 1 95 95 ILE C C 95 176.351 176.351 177.464 -1.113 25660 1582 1 3 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.239 0.983 25660 1583 1 3 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.576 0.092 25660 1584 1 3 . 1 1 95 95 ILE H H 95 8.974 8.974 8.096 0.878 25660 1585 1 3 . 1 1 96 96 ALA N N 96 123.001 123.001 122.565 0.436 25660 1586 1 3 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.952 0.074 25660 1587 1 3 . 1 1 96 96 ALA C C 96 180.700 180.700 179.141 1.559 25660 1588 1 3 . 1 1 96 96 ALA CA C 96 54.933 54.933 54.907 0.026 25660 1589 1 3 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.041 -1.071 25660 1590 1 3 . 1 1 96 96 ALA H H 96 7.974 7.974 7.234 0.740 25660 1591 1 3 . 1 1 97 97 TYR N N 97 118.224 118.224 120.351 -2.127 25660 1592 1 3 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.058 0.139 25660 1593 1 3 . 1 1 97 97 TYR C C 97 176.278 176.278 177.366 -1.088 25660 1594 1 3 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.786 1.670 25660 1595 1 3 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.128 -1.185 25660 1596 1 3 . 1 1 97 97 TYR H H 97 8.089 8.089 7.922 0.167 25660 1597 1 3 . 1 1 98 98 LEU N N 98 119.118 119.118 118.429 0.689 25660 1598 1 3 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.287 0.047 25660 1599 1 3 . 1 1 98 98 LEU C C 98 179.188 179.188 178.882 0.306 25660 1600 1 3 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.772 -0.122 25660 1601 1 3 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.337 0.308 25660 1602 1 3 . 1 1 98 98 LEU H H 98 8.982 8.982 8.220 0.762 25660 1603 1 3 . 1 1 99 99 LYS N N 99 123.889 123.889 119.440 4.449 25660 1604 1 3 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.169 -0.620 25660 1605 1 3 . 1 1 99 99 LYS C C 99 176.653 176.653 178.830 -2.177 25660 1606 1 3 . 1 1 99 99 LYS CA C 99 59.190 59.190 59.343 -0.153 25660 1607 1 3 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.721 0.148 25660 1608 1 3 . 1 1 99 99 LYS H H 99 8.945 8.945 7.692 1.253 25660 1609 1 3 . 1 1 100 100 LYS N N 100 116.726 116.726 119.058 -2.332 25660 1610 1 3 . 1 1 100 100 LYS HA H 100 3.976 3.976 3.966 0.010 25660 1611 1 3 . 1 1 100 100 LYS C C 100 178.363 178.363 178.029 0.334 25660 1612 1 3 . 1 1 100 100 LYS CA C 100 57.655 57.655 58.472 -0.817 25660 1613 1 3 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.363 0.812 25660 1614 1 3 . 1 1 100 100 LYS H H 100 6.724 6.724 7.522 -0.798 25660 1615 1 3 . 1 1 101 101 ALA N N 101 119.416 119.416 116.277 3.139 25660 1616 1 3 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.701 -0.906 25660 1617 1 3 . 1 1 101 101 ALA C C 101 179.576 179.576 178.444 1.132 25660 1618 1 3 . 1 1 101 101 ALA CA C 101 54.401 54.401 53.163 1.238 25660 1619 1 3 . 1 1 101 101 ALA CB C 101 18.353 18.353 18.499 -0.146 25660 1620 1 3 . 1 1 101 101 ALA H H 101 8.539 8.539 7.885 0.654 25660 1621 1 3 . 1 1 102 102 THR N N 102 101.974 101.974 107.903 -5.929 25660 1622 1 3 . 1 1 102 102 THR HA H 102 4.157 4.157 3.381 0.776 25660 1623 1 3 . 1 1 102 102 THR C C 102 172.872 172.872 174.795 -1.923 25660 1624 1 3 . 1 1 102 102 THR CA C 102 61.954 61.954 61.864 0.090 25660 1625 1 3 . 1 1 102 102 THR CB C 102 69.403 69.403 70.329 -0.925 25660 1626 1 3 . 1 1 102 102 THR H H 102 7.810 7.810 7.600 0.210 25660 1627 1 3 . 1 1 103 103 ASN N N 103 118.372 118.372 119.379 -1.007 25660 1628 1 3 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.786 -0.019 25660 1629 1 3 . 1 1 103 103 ASN C C 103 173.663 173.663 175.088 -1.425 25660 1630 1 3 . 1 1 103 103 ASN CA C 103 52.469 52.469 52.608 -0.139 25660 1631 1 3 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.178 3.198 25660 1632 1 3 . 1 1 103 103 ASN H H 103 6.968 6.968 7.685 -0.717 25660 1633 1 4 . 1 1 2 2 ASP N N 2 124.691 124.691 120.656 4.035 25660 1634 1 4 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.938 -0.163 25660 1635 1 4 . 1 1 2 2 ASP C C 2 175.662 175.662 175.548 0.114 25660 1636 1 4 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.497 0.275 25660 1637 1 4 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.020 -0.707 25660 1638 1 4 . 1 1 2 2 ASP H H 2 9.541 9.541 8.722 0.819 25660 1639 1 4 . 1 1 3 3 VAL N N 3 123.739 123.739 118.699 5.040 25660 1640 1 4 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.906 -0.356 25660 1641 1 4 . 1 1 3 3 VAL C C 3 177.302 177.302 177.129 0.173 25660 1642 1 4 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.269 0.677 25660 1643 1 4 . 1 1 3 3 VAL CB C 3 31.965 31.965 31.960 0.004 25660 1644 1 4 . 1 1 3 3 VAL H H 3 8.569 8.569 8.404 0.165 25660 1645 1 4 . 1 1 4 4 GLU N N 4 120.310 120.310 119.044 1.266 25660 1646 1 4 . 1 1 4 4 GLU HA H 4 4.008 4.008 4.147 -0.139 25660 1647 1 4 . 1 1 4 4 GLU C C 4 180.515 180.515 178.633 1.882 25660 1648 1 4 . 1 1 4 4 GLU CA C 4 58.963 58.963 58.499 0.464 25660 1649 1 4 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.598 -1.119 25660 1650 1 4 . 1 1 4 4 GLU H H 4 8.083 8.083 8.346 -0.263 25660 1651 1 4 . 1 1 5 5 LYS N N 5 121.058 121.058 119.040 2.018 25660 1652 1 4 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.218 -0.319 25660 1653 1 4 . 1 1 5 5 LYS C C 5 180.515 180.515 178.863 1.652 25660 1654 1 4 . 1 1 5 5 LYS CA C 5 59.459 59.459 57.593 1.866 25660 1655 1 4 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.306 0.148 25660 1656 1 4 . 1 1 5 5 LYS H H 5 8.096 8.096 7.584 0.512 25660 1657 1 4 . 1 1 6 6 GLY N N 6 107.193 107.193 108.071 -0.878 25660 1658 1 4 . 1 1 6 6 GLY C C 6 174.012 174.012 176.139 -2.127 25660 1659 1 4 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.962 -0.482 25660 1660 1 4 . 1 1 6 6 GLY H H 6 8.709 8.709 8.221 0.488 25660 1661 1 4 . 1 1 7 7 LYS N N 7 124.124 124.124 121.602 2.522 25660 1662 1 4 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.452 -1.292 25660 1663 1 4 . 1 1 7 7 LYS C C 7 177.457 177.457 178.818 -1.361 25660 1664 1 4 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.608 -0.556 25660 1665 1 4 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.974 0.131 25660 1666 1 4 . 1 1 7 7 LYS H H 7 8.039 8.039 8.157 -0.118 25660 1667 1 4 . 1 1 8 8 LYS N N 8 116.732 116.732 118.035 -1.303 25660 1668 1 4 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.190 -0.375 25660 1669 1 4 . 1 1 8 8 LYS C C 8 179.228 179.228 179.102 0.126 25660 1670 1 4 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.448 0.874 25660 1671 1 4 . 1 1 8 8 LYS CB C 8 31.815 31.815 32.362 -0.547 25660 1672 1 4 . 1 1 8 8 LYS H H 8 6.958 6.958 7.540 -0.582 25660 1673 1 4 . 1 1 9 9 ILE N N 9 119.269 119.269 120.769 -1.500 25660 1674 1 4 . 1 1 9 9 ILE HA H 9 3.719 3.719 4.012 -0.293 25660 1675 1 4 . 1 1 9 9 ILE C C 9 177.006 177.006 177.547 -0.541 25660 1676 1 4 . 1 1 9 9 ILE CA C 9 65.105 65.105 61.801 3.304 25660 1677 1 4 . 1 1 9 9 ILE CB C 9 37.562 37.562 37.085 0.477 25660 1678 1 4 . 1 1 9 9 ILE H H 9 7.681 7.681 7.574 0.107 25660 1679 1 4 . 1 1 10 10 PHE N N 10 120.908 120.908 122.126 -1.218 25660 1680 1 4 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.342 -0.369 25660 1681 1 4 . 1 1 10 10 PHE C C 10 178.820 178.820 178.024 0.796 25660 1682 1 4 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.784 0.380 25660 1683 1 4 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.488 -0.111 25660 1684 1 4 . 1 1 10 10 PHE H H 10 8.635 8.635 7.831 0.804 25660 1685 1 4 . 1 1 11 11 ILE N N 11 121.053 121.053 117.392 3.661 25660 1686 1 4 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.761 -0.445 25660 1687 1 4 . 1 1 11 11 ILE C C 11 178.867 178.867 177.344 1.523 25660 1688 1 4 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.749 0.873 25660 1689 1 4 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.944 -0.327 25660 1690 1 4 . 1 1 11 11 ILE H H 11 8.834 8.834 8.628 0.206 25660 1691 1 4 . 1 1 12 12 MET N N 12 117.328 117.328 118.210 -0.882 25660 1692 1 4 . 1 1 12 12 MET HA H 12 4.219 4.219 4.261 -0.042 25660 1693 1 4 . 1 1 12 12 MET C C 12 177.972 177.972 177.342 0.630 25660 1694 1 4 . 1 1 12 12 MET CA C 12 58.560 58.560 58.132 0.428 25660 1695 1 4 . 1 1 12 12 MET CB C 12 33.675 33.675 33.267 0.408 25660 1696 1 4 . 1 1 12 12 MET H H 12 8.047 8.047 7.613 0.434 25660 1697 1 4 . 1 1 13 13 LYS N N 13 113.452 113.452 115.472 -2.020 25660 1698 1 4 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.479 0.456 25660 1699 1 4 . 1 1 13 13 LYS C C 13 177.353 177.353 177.376 -0.023 25660 1700 1 4 . 1 1 13 13 LYS CA C 13 57.260 57.260 58.291 -1.031 25660 1701 1 4 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.715 0.484 25660 1702 1 4 . 1 1 13 13 LYS H H 13 9.016 9.016 8.120 0.896 25660 1703 1 4 . 1 1 14 14 CYS N N 14 115.390 115.390 117.096 -1.706 25660 1704 1 4 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.544 0.752 25660 1705 1 4 . 1 1 14 14 CYS C C 14 177.723 177.723 175.691 2.032 25660 1706 1 4 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.872 -5.753 25660 1707 1 4 . 1 1 14 14 CYS CB C 14 36.784 36.784 29.211 7.573 25660 1708 1 4 . 1 1 14 14 CYS H H 14 8.130 8.130 8.472 -0.342 25660 1709 1 4 . 1 1 15 15 SER N N 15 114.347 114.347 117.417 -3.070 25660 1710 1 4 . 1 1 15 15 SER HA H 15 3.768 3.768 4.036 -0.268 25660 1711 1 4 . 1 1 15 15 SER C C 15 174.272 174.272 175.447 -1.175 25660 1712 1 4 . 1 1 15 15 SER CA C 15 60.587 60.587 61.455 -0.867 25660 1713 1 4 . 1 1 15 15 SER CB C 15 62.483 62.483 63.290 -0.807 25660 1714 1 4 . 1 1 15 15 SER H H 15 7.297 7.297 8.138 -0.841 25660 1715 1 4 . 1 1 16 16 GLN N N 16 120.608 120.608 116.594 4.014 25660 1716 1 4 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.176 -0.267 25660 1717 1 4 . 1 1 16 16 GLN C C 16 176.559 176.559 176.598 -0.039 25660 1718 1 4 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.676 0.262 25660 1719 1 4 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.450 -0.550 25660 1720 1 4 . 1 1 16 16 GLN H H 16 8.879 8.879 8.476 0.403 25660 1721 1 4 . 1 1 17 17 CYS N N 17 112.857 112.857 115.653 -2.796 25660 1722 1 4 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.738 -0.654 25660 1723 1 4 . 1 1 17 17 CYS C C 17 171.419 171.419 174.475 -3.056 25660 1724 1 4 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.430 -5.463 25660 1725 1 4 . 1 1 17 17 CYS CB C 17 38.172 38.172 30.154 8.018 25660 1726 1 4 . 1 1 17 17 CYS H H 17 6.805 6.805 7.756 -0.951 25660 1727 1 4 . 1 1 18 18 HIS N N 18 113.603 113.603 118.796 -5.193 25660 1728 1 4 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.416 -1.794 25660 1729 1 4 . 1 1 18 18 HIS CA C 18 53.514 53.514 55.603 -2.089 25660 1730 1 4 . 1 1 18 18 HIS CB C 18 31.916 31.916 32.293 -0.377 25660 1731 1 4 . 1 1 18 18 HIS H H 18 6.223 6.223 8.191 -1.968 25660 1732 1 4 . 1 1 19 19 THR N N 19 109.280 109.280 114.022 -4.742 25660 1733 1 4 . 1 1 19 19 THR HA H 19 4.413 4.413 4.885 -0.472 25660 1734 1 4 . 1 1 19 19 THR C C 19 174.026 174.026 173.319 0.707 25660 1735 1 4 . 1 1 19 19 THR CA C 19 58.557 58.557 61.824 -3.267 25660 1736 1 4 . 1 1 19 19 THR CB C 19 71.176 71.176 71.736 -0.560 25660 1737 1 4 . 1 1 19 19 THR H H 19 7.636 7.636 8.507 -0.871 25660 1738 1 4 . 1 1 20 20 VAL N N 20 110.620 110.620 116.530 -5.910 25660 1739 1 4 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.830 -1.065 25660 1740 1 4 . 1 1 20 20 VAL C C 20 173.470 173.470 174.908 -1.438 25660 1741 1 4 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.067 0.727 25660 1742 1 4 . 1 1 20 20 VAL CB C 20 33.427 33.427 32.222 1.205 25660 1743 1 4 . 1 1 20 20 VAL H H 20 7.675 7.675 8.648 -0.973 25660 1744 1 4 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.157 -0.023 25660 1745 1 4 . 1 1 21 21 GLU C C 21 177.538 177.538 176.441 1.097 25660 1746 1 4 . 1 1 21 21 GLU CA C 21 56.452 56.452 56.522 -0.070 25660 1747 1 4 . 1 1 21 21 GLU CB C 21 29.646 29.646 30.554 -0.908 25660 1748 1 4 . 1 1 22 22 LYS N N 22 126.123 126.123 124.092 2.031 25660 1749 1 4 . 1 1 22 22 LYS HA H 22 3.052 3.052 4.110 -1.058 25660 1750 1 4 . 1 1 22 22 LYS C C 22 177.538 177.538 178.225 -0.687 25660 1751 1 4 . 1 1 22 22 LYS CA C 22 57.749 57.749 58.210 -0.461 25660 1752 1 4 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.439 -1.498 25660 1753 1 4 . 1 1 22 22 LYS H H 22 8.717 8.717 8.584 0.133 25660 1754 1 4 . 1 1 23 23 GLY N N 23 117.177 117.177 111.378 5.799 25660 1755 1 4 . 1 1 23 23 GLY C C 23 174.531 174.531 173.989 0.542 25660 1756 1 4 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.489 0.417 25660 1757 1 4 . 1 1 23 23 GLY H H 23 9.078 9.078 8.577 0.501 25660 1758 1 4 . 1 1 24 24 GLY N N 24 107.042 107.042 109.663 -2.621 25660 1759 1 4 . 1 1 24 24 GLY C C 24 172.234 172.234 173.505 -1.271 25660 1760 1 4 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.654 -0.508 25660 1761 1 4 . 1 1 24 24 GLY H H 24 7.730 7.730 7.582 0.148 25660 1762 1 4 . 1 1 25 25 LYS N N 25 118.452 118.452 120.979 -2.527 25660 1763 1 4 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.640 -0.807 25660 1764 1 4 . 1 1 25 25 LYS C C 25 178.209 178.209 175.892 2.317 25660 1765 1 4 . 1 1 25 25 LYS CA C 25 55.712 55.712 54.880 0.833 25660 1766 1 4 . 1 1 25 25 LYS CB C 25 32.861 32.861 36.496 -3.635 25660 1767 1 4 . 1 1 25 25 LYS H H 25 8.222 8.222 8.415 -0.193 25660 1768 1 4 . 1 1 26 26 HIS N N 26 122.465 122.465 120.616 1.849 25660 1769 1 4 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.564 -0.372 25660 1770 1 4 . 1 1 26 26 HIS C C 26 175.081 175.081 174.953 0.128 25660 1771 1 4 . 1 1 26 26 HIS CA C 26 55.813 55.813 56.859 -1.046 25660 1772 1 4 . 1 1 26 26 HIS CB C 26 30.173 30.173 29.678 0.495 25660 1773 1 4 . 1 1 26 26 HIS H H 26 8.545 8.545 8.714 -0.169 25660 1774 1 4 . 1 1 27 27 LYS N N 27 126.571 126.571 124.465 2.106 25660 1775 1 4 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.606 -0.236 25660 1776 1 4 . 1 1 27 27 LYS C C 27 175.781 175.781 176.000 -0.219 25660 1777 1 4 . 1 1 27 27 LYS CA C 27 55.066 55.066 55.329 -0.263 25660 1778 1 4 . 1 1 27 27 LYS CB C 27 30.731 30.731 33.376 -2.645 25660 1779 1 4 . 1 1 27 27 LYS H H 27 7.439 7.439 8.096 -0.657 25660 1780 1 4 . 1 1 28 28 THR HA H 28 4.017 4.017 4.175 -0.158 25660 1781 1 4 . 1 1 28 28 THR C C 28 174.931 174.931 175.420 -0.489 25660 1782 1 4 . 1 1 28 28 THR CA C 28 67.083 67.083 65.009 2.074 25660 1783 1 4 . 1 1 28 28 THR CB C 28 69.766 69.766 68.960 0.806 25660 1784 1 4 . 1 1 29 29 GLY N N 29 106.150 106.150 107.860 -1.710 25660 1785 1 4 . 1 1 29 29 GLY C C 29 169.328 169.328 171.596 -2.268 25660 1786 1 4 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.718 -1.836 25660 1787 1 4 . 1 1 29 29 GLY H H 29 7.548 7.548 7.553 -0.005 25660 1788 1 4 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.490 -0.900 25660 1789 1 4 . 1 1 30 30 PRO CA C 30 60.269 60.269 62.635 -2.366 25660 1790 1 4 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.000 -1.980 25660 1791 1 4 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.864 -0.841 25660 1792 1 4 . 1 1 31 31 ASN C C 31 176.303 176.303 176.006 0.297 25660 1793 1 4 . 1 1 31 31 ASN CA C 31 54.344 54.344 53.143 1.201 25660 1794 1 4 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.552 1.233 25660 1795 1 4 . 1 1 31 31 ASN H H 31 10.198 10.198 8.268 1.930 25660 1796 1 4 . 1 1 32 32 LEU N N 32 121.653 121.653 116.179 5.474 25660 1797 1 4 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.819 0.048 25660 1798 1 4 . 1 1 32 32 LEU C C 32 174.533 174.533 175.174 -0.641 25660 1799 1 4 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.476 -2.189 25660 1800 1 4 . 1 1 32 32 LEU CB C 32 42.520 42.520 40.694 1.826 25660 1801 1 4 . 1 1 32 32 LEU H H 32 7.889 7.889 7.859 0.030 25660 1802 1 4 . 1 1 33 33 HIS N N 33 119.860 119.860 118.221 1.639 25660 1803 1 4 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.351 -0.644 25660 1804 1 4 . 1 1 33 33 HIS C C 33 176.992 176.992 176.241 0.751 25660 1805 1 4 . 1 1 33 33 HIS CA C 33 60.491 60.491 57.260 3.232 25660 1806 1 4 . 1 1 33 33 HIS CB C 33 28.223 28.223 29.576 -1.353 25660 1807 1 4 . 1 1 33 33 HIS H H 33 7.445 7.445 7.889 -0.444 25660 1808 1 4 . 1 1 34 34 GLY N N 34 114.645 114.645 115.145 -0.500 25660 1809 1 4 . 1 1 34 34 GLY C C 34 174.473 174.473 174.703 -0.230 25660 1810 1 4 . 1 1 34 34 GLY CA C 34 45.713 45.713 46.084 -0.370 25660 1811 1 4 . 1 1 34 34 GLY H H 34 8.763 8.763 8.289 0.474 25660 1812 1 4 . 1 1 35 35 LEU N N 35 117.774 117.774 119.128 -1.354 25660 1813 1 4 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.058 -0.531 25660 1814 1 4 . 1 1 35 35 LEU C C 35 176.507 176.507 176.599 -0.092 25660 1815 1 4 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.560 -0.101 25660 1816 1 4 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.540 1.268 25660 1817 1 4 . 1 1 35 35 LEU H H 35 7.010 7.010 7.702 -0.692 25660 1818 1 4 . 1 1 36 36 PHE N N 36 113.600 113.600 116.256 -2.656 25660 1819 1 4 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.769 -0.921 25660 1820 1 4 . 1 1 36 36 PHE C C 36 176.553 176.553 177.328 -0.775 25660 1821 1 4 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.383 0.319 25660 1822 1 4 . 1 1 36 36 PHE CB C 36 36.223 36.223 39.057 -2.834 25660 1823 1 4 . 1 1 36 36 PHE H H 36 8.694 8.694 7.965 0.729 25660 1824 1 4 . 1 1 37 37 GLY N N 37 112.857 112.857 112.093 0.764 25660 1825 1 4 . 1 1 37 37 GLY C C 37 173.382 173.382 173.518 -0.136 25660 1826 1 4 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.945 -0.490 25660 1827 1 4 . 1 1 37 37 GLY H H 37 8.839 8.839 8.508 0.331 25660 1828 1 4 . 1 1 38 38 ARG N N 38 124.035 124.035 118.974 5.061 25660 1829 1 4 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.739 -0.290 25660 1830 1 4 . 1 1 38 38 ARG C C 38 174.415 174.415 174.363 0.052 25660 1831 1 4 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.332 1.432 25660 1832 1 4 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.674 -0.263 25660 1833 1 4 . 1 1 38 38 ARG H H 38 8.215 8.215 7.587 0.628 25660 1834 1 4 . 1 1 39 39 LYS N N 39 123.290 123.290 119.685 3.605 25660 1835 1 4 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.144 0.703 25660 1836 1 4 . 1 1 39 39 LYS C C 39 172.219 172.219 176.541 -4.322 25660 1837 1 4 . 1 1 39 39 LYS CA C 39 55.199 55.199 55.706 -0.507 25660 1838 1 4 . 1 1 39 39 LYS CB C 39 33.682 33.682 34.444 -0.763 25660 1839 1 4 . 1 1 39 39 LYS H H 39 8.147 8.147 8.463 -0.316 25660 1840 1 4 . 1 1 40 40 THR N N 40 113.158 113.158 111.499 1.659 25660 1841 1 4 . 1 1 40 40 THR HA H 40 4.463 4.463 4.716 -0.253 25660 1842 1 4 . 1 1 40 40 THR C C 40 175.638 175.638 174.627 1.011 25660 1843 1 4 . 1 1 40 40 THR CA C 40 61.920 61.920 60.631 1.289 25660 1844 1 4 . 1 1 40 40 THR CB C 40 68.539 68.539 71.321 -2.782 25660 1845 1 4 . 1 1 40 40 THR H H 40 7.804 7.804 8.454 -0.650 25660 1846 1 4 . 1 1 41 41 GLY N N 41 111.811 111.811 106.486 5.325 25660 1847 1 4 . 1 1 41 41 GLY C C 41 174.720 174.720 174.624 0.096 25660 1848 1 4 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.626 -0.216 25660 1849 1 4 . 1 1 41 41 GLY H H 41 9.040 9.040 8.718 0.322 25660 1850 1 4 . 1 1 42 42 GLN N N 42 117.180 117.180 115.280 1.900 25660 1851 1 4 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.538 -0.184 25660 1852 1 4 . 1 1 42 42 GLN C C 42 175.152 175.152 175.177 -0.025 25660 1853 1 4 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.217 -0.602 25660 1854 1 4 . 1 1 42 42 GLN CB C 42 28.977 28.977 30.116 -1.139 25660 1855 1 4 . 1 1 42 42 GLN H H 42 8.084 8.084 8.417 -0.333 25660 1856 1 4 . 1 1 43 43 ALA N N 43 125.825 125.825 125.981 -0.156 25660 1857 1 4 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.877 -0.341 25660 1858 1 4 . 1 1 43 43 ALA C C 43 175.308 175.308 176.440 -1.132 25660 1859 1 4 . 1 1 43 43 ALA CA C 43 49.991 49.991 49.490 0.501 25660 1860 1 4 . 1 1 43 43 ALA CB C 43 18.488 18.488 19.140 -0.652 25660 1861 1 4 . 1 1 43 43 ALA H H 43 8.063 8.063 7.893 0.170 25660 1862 1 4 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.217 0.139 25660 1863 1 4 . 1 1 44 44 PRO C C 44 178.294 178.294 177.864 0.430 25660 1864 1 4 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.506 -1.050 25660 1865 1 4 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.968 -0.454 25660 1866 1 4 . 1 1 45 45 GLY N N 45 112.024 112.024 105.129 6.895 25660 1867 1 4 . 1 1 45 45 GLY C C 45 173.301 173.301 173.230 0.071 25660 1868 1 4 . 1 1 45 45 GLY CA C 45 45.350 45.350 44.971 0.379 25660 1869 1 4 . 1 1 45 45 GLY H H 45 8.831 8.831 8.325 0.506 25660 1870 1 4 . 1 1 46 46 TYR N N 46 120.307 120.307 120.716 -0.409 25660 1871 1 4 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.794 -0.602 25660 1872 1 4 . 1 1 46 46 TYR C C 46 174.910 174.910 174.867 0.043 25660 1873 1 4 . 1 1 46 46 TYR CA C 46 57.515 57.515 56.951 0.564 25660 1874 1 4 . 1 1 46 46 TYR CB C 46 39.539 39.539 40.068 -0.529 25660 1875 1 4 . 1 1 46 46 TYR H H 46 7.661 7.661 7.602 0.059 25660 1876 1 4 . 1 1 50 50 ALA N N 50 125.381 125.381 129.407 -4.026 25660 1877 1 4 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.901 -0.735 25660 1878 1 4 . 1 1 50 50 ALA C C 50 178.430 178.430 178.259 0.171 25660 1879 1 4 . 1 1 50 50 ALA CA C 50 53.813 53.813 52.139 1.674 25660 1880 1 4 . 1 1 50 50 ALA CB C 50 17.942 17.942 18.867 -0.925 25660 1881 1 4 . 1 1 50 50 ALA H H 50 8.507 8.507 8.767 -0.260 25660 1882 1 4 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.919 0.074 25660 1883 1 4 . 1 1 51 51 ALA C C 51 178.634 178.634 178.741 -0.107 25660 1884 1 4 . 1 1 51 51 ALA CA C 51 53.932 53.932 55.134 -1.202 25660 1885 1 4 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.649 -0.400 25660 1886 1 4 . 1 1 52 52 ASN N N 52 117.178 117.178 112.978 4.200 25660 1887 1 4 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.668 -0.339 25660 1888 1 4 . 1 1 52 52 ASN C C 52 176.255 176.255 176.009 0.246 25660 1889 1 4 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.453 0.316 25660 1890 1 4 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.380 0.873 25660 1891 1 4 . 1 1 52 52 ASN H H 52 8.286 8.286 8.484 -0.198 25660 1892 1 4 . 1 1 53 53 LYS N N 53 120.164 120.164 120.624 -0.460 25660 1893 1 4 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.277 -0.549 25660 1894 1 4 . 1 1 53 53 LYS C C 53 177.676 177.676 176.805 0.871 25660 1895 1 4 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.726 -0.324 25660 1896 1 4 . 1 1 53 53 LYS CB C 53 32.296 32.296 33.767 -1.471 25660 1897 1 4 . 1 1 53 53 LYS H H 53 8.152 8.152 8.161 -0.009 25660 1898 1 4 . 1 1 54 54 ASN N N 54 116.286 116.286 117.913 -1.627 25660 1899 1 4 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.520 -0.131 25660 1900 1 4 . 1 1 54 54 ASN C C 54 175.501 175.501 175.397 0.104 25660 1901 1 4 . 1 1 54 54 ASN CA C 54 53.488 53.488 54.679 -1.191 25660 1902 1 4 . 1 1 54 54 ASN CB C 54 38.101 38.101 38.993 -0.892 25660 1903 1 4 . 1 1 54 54 ASN H H 54 8.553 8.553 8.447 0.106 25660 1904 1 4 . 1 1 55 55 LYS N N 55 121.354 121.354 118.243 3.111 25660 1905 1 4 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.480 -0.448 25660 1906 1 4 . 1 1 55 55 LYS C C 55 177.422 177.422 175.346 2.076 25660 1907 1 4 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.040 1.778 25660 1908 1 4 . 1 1 55 55 LYS CB C 55 31.536 31.536 33.605 -2.069 25660 1909 1 4 . 1 1 55 55 LYS H H 55 7.634 7.634 7.360 0.274 25660 1910 1 4 . 1 1 56 56 GLY CA C 56 46.052 46.052 44.836 1.216 25660 1911 1 4 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.430 -0.388 25660 1912 1 4 . 1 1 57 57 ILE C C 57 173.923 173.923 174.703 -0.780 25660 1913 1 4 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.215 -0.594 25660 1914 1 4 . 1 1 57 57 ILE CB C 57 38.366 38.366 41.484 -3.118 25660 1915 1 4 . 1 1 58 58 ILE N N 58 121.053 121.053 114.836 6.217 25660 1916 1 4 . 1 1 58 58 ILE HA H 58 4.082 4.082 3.663 0.419 25660 1917 1 4 . 1 1 58 58 ILE C C 58 177.495 177.495 175.729 1.766 25660 1918 1 4 . 1 1 58 58 ILE CA C 58 58.867 58.867 60.699 -1.832 25660 1919 1 4 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.243 0.261 25660 1920 1 4 . 1 1 58 58 ILE H H 58 7.988 7.988 7.991 -0.003 25660 1921 1 4 . 1 1 59 59 TRP N N 59 130.896 130.896 123.388 7.508 25660 1922 1 4 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.419 0.410 25660 1923 1 4 . 1 1 59 59 TRP C C 59 175.793 175.793 175.605 0.188 25660 1924 1 4 . 1 1 59 59 TRP CA C 59 57.229 57.229 56.400 0.829 25660 1925 1 4 . 1 1 59 59 TRP CB C 59 29.908 29.908 27.474 2.434 25660 1926 1 4 . 1 1 59 59 TRP H H 59 8.931 8.931 8.106 0.825 25660 1927 1 4 . 1 1 60 60 GLY N N 60 111.218 111.218 110.126 1.092 25660 1928 1 4 . 1 1 60 60 GLY C C 60 171.636 171.636 173.730 -2.094 25660 1929 1 4 . 1 1 60 60 GLY CA C 60 44.214 44.214 43.319 0.895 25660 1930 1 4 . 1 1 60 60 GLY H H 60 7.839 7.839 7.619 0.220 25660 1931 1 4 . 1 1 61 61 GLU N N 61 120.606 120.606 119.847 0.759 25660 1932 1 4 . 1 1 61 61 GLU HA H 61 3.858 3.858 3.991 -0.133 25660 1933 1 4 . 1 1 61 61 GLU C C 61 177.011 177.011 177.975 -0.964 25660 1934 1 4 . 1 1 61 61 GLU CA C 61 62.088 62.088 60.602 1.486 25660 1935 1 4 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.771 -0.407 25660 1936 1 4 . 1 1 61 61 GLU H H 61 9.619 9.619 8.970 0.649 25660 1937 1 4 . 1 1 62 62 ASP N N 62 114.943 114.943 113.174 1.769 25660 1938 1 4 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.609 -0.275 25660 1939 1 4 . 1 1 62 62 ASP C C 62 179.228 179.228 177.233 1.995 25660 1940 1 4 . 1 1 62 62 ASP CA C 62 57.208 57.208 55.450 1.758 25660 1941 1 4 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.617 -1.140 25660 1942 1 4 . 1 1 62 62 ASP H H 62 8.396 8.396 8.586 -0.190 25660 1943 1 4 . 1 1 63 63 THR N N 63 112.857 112.857 114.555 -1.698 25660 1944 1 4 . 1 1 63 63 THR HA H 63 4.116 4.116 4.380 -0.264 25660 1945 1 4 . 1 1 63 63 THR C C 63 177.971 177.971 175.674 2.297 25660 1946 1 4 . 1 1 63 63 THR CA C 63 63.601 63.601 64.702 -1.101 25660 1947 1 4 . 1 1 63 63 THR CB C 63 68.918 68.918 69.776 -0.858 25660 1948 1 4 . 1 1 63 63 THR H H 63 8.246 8.246 7.518 0.728 25660 1949 1 4 . 1 1 64 64 LEU N N 64 121.355 121.355 122.475 -1.120 25660 1950 1 4 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.201 0.032 25660 1951 1 4 . 1 1 64 64 LEU C C 64 178.628 178.628 178.619 0.009 25660 1952 1 4 . 1 1 64 64 LEU CA C 64 58.314 58.314 57.745 0.569 25660 1953 1 4 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.833 0.522 25660 1954 1 4 . 1 1 64 64 LEU H H 64 8.809 8.809 8.447 0.362 25660 1955 1 4 . 1 1 65 65 MET N N 65 118.519 118.519 117.022 1.497 25660 1956 1 4 . 1 1 65 65 MET HA H 65 3.896 3.896 4.171 -0.275 25660 1957 1 4 . 1 1 65 65 MET C C 65 177.782 177.782 177.501 0.281 25660 1958 1 4 . 1 1 65 65 MET CA C 65 57.910 57.910 59.617 -1.707 25660 1959 1 4 . 1 1 65 65 MET CB C 65 31.019 31.019 32.075 -1.056 25660 1960 1 4 . 1 1 65 65 MET H H 65 7.934 7.934 7.729 0.205 25660 1961 1 4 . 1 1 66 66 GLU N N 66 117.027 117.027 120.715 -3.688 25660 1962 1 4 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.030 -0.072 25660 1963 1 4 . 1 1 66 66 GLU C C 66 178.928 178.928 178.482 0.446 25660 1964 1 4 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.476 -0.373 25660 1965 1 4 . 1 1 66 66 GLU CB C 66 29.676 29.676 28.817 0.859 25660 1966 1 4 . 1 1 66 66 GLU H H 66 6.795 6.795 8.074 -1.279 25660 1967 1 4 . 1 1 67 67 TYR N N 67 120.608 120.608 121.920 -1.312 25660 1968 1 4 . 1 1 67 67 TYR HA H 67 3.501 3.501 3.807 -0.306 25660 1969 1 4 . 1 1 67 67 TYR C C 67 176.312 176.312 177.851 -1.539 25660 1970 1 4 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.498 -1.587 25660 1971 1 4 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.614 1.504 25660 1972 1 4 . 1 1 67 67 TYR H H 67 8.170 8.170 7.820 0.350 25660 1973 1 4 . 1 1 68 68 LEU N N 68 109.278 109.278 118.532 -9.254 25660 1974 1 4 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.978 -0.992 25660 1975 1 4 . 1 1 68 68 LEU C C 68 176.652 176.652 178.911 -2.259 25660 1976 1 4 . 1 1 68 68 LEU CA C 68 55.211 55.211 57.446 -2.235 25660 1977 1 4 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.662 -0.474 25660 1978 1 4 . 1 1 68 68 LEU H H 68 8.108 8.108 8.552 -0.444 25660 1979 1 4 . 1 1 69 69 GLU N N 69 119.118 119.118 119.280 -0.162 25660 1980 1 4 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.314 -0.454 25660 1981 1 4 . 1 1 69 69 GLU C C 69 176.033 176.033 176.126 -0.093 25660 1982 1 4 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.010 -0.484 25660 1983 1 4 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.505 -0.956 25660 1984 1 4 . 1 1 69 69 GLU H H 69 6.783 6.783 8.291 -1.508 25660 1985 1 4 . 1 1 70 70 ASN N N 70 105.553 105.553 111.721 -6.168 25660 1986 1 4 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.464 -1.333 25660 1987 1 4 . 1 1 70 70 ASN C C 70 172.247 172.247 173.133 -0.886 25660 1988 1 4 . 1 1 70 70 ASN CA C 70 51.365 51.365 50.857 0.508 25660 1989 1 4 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.915 -2.118 25660 1990 1 4 . 1 1 70 70 ASN H H 70 6.092 6.092 7.702 -1.610 25660 1991 1 4 . 1 1 71 71 PRO HA H 71 3.517 3.517 4.089 -0.572 25660 1992 1 4 . 1 1 71 71 PRO C C 71 176.414 176.414 178.158 -1.744 25660 1993 1 4 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.350 0.322 25660 1994 1 4 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.921 -1.986 25660 1995 1 4 . 1 1 72 72 LYS N N 72 113.454 113.454 116.486 -3.032 25660 1996 1 4 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.107 -0.392 25660 1997 1 4 . 1 1 72 72 LYS C C 72 177.234 177.234 177.882 -0.648 25660 1998 1 4 . 1 1 72 72 LYS CA C 72 57.046 57.046 58.466 -1.420 25660 1999 1 4 . 1 1 72 72 LYS CB C 72 31.565 31.565 31.111 0.454 25660 2000 1 4 . 1 1 72 72 LYS H H 72 7.457 7.457 7.996 -0.539 25660 2001 1 4 . 1 1 73 73 LYS N N 73 118.522 118.522 120.183 -1.661 25660 2002 1 4 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.110 -0.320 25660 2003 1 4 . 1 1 73 73 LYS C C 73 176.890 176.890 178.325 -1.435 25660 2004 1 4 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.234 -0.827 25660 2005 1 4 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.165 0.734 25660 2006 1 4 . 1 1 73 73 LYS H H 73 6.855 6.855 7.386 -0.531 25660 2007 1 4 . 1 1 74 74 TYR N N 74 118.674 118.674 118.501 0.173 25660 2008 1 4 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.330 -0.099 25660 2009 1 4 . 1 1 74 74 TYR C C 74 175.794 175.794 175.272 0.522 25660 2010 1 4 . 1 1 74 74 TYR CA C 74 60.721 60.721 61.092 -0.371 25660 2011 1 4 . 1 1 74 74 TYR CB C 74 39.536 39.536 40.155 -0.619 25660 2012 1 4 . 1 1 74 74 TYR H H 74 7.219 7.219 7.849 -0.630 25660 2013 1 4 . 1 1 75 75 ILE N N 75 114.346 114.346 117.749 -3.403 25660 2014 1 4 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.496 -0.429 25660 2015 1 4 . 1 1 75 75 ILE C C 75 179.773 179.773 173.588 6.185 25660 2016 1 4 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.561 -0.087 25660 2017 1 4 . 1 1 75 75 ILE CB C 75 37.615 37.615 39.709 -2.094 25660 2018 1 4 . 1 1 75 75 ILE H H 75 8.189 8.189 8.179 0.010 25660 2019 1 4 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.689 -0.212 25660 2020 1 4 . 1 1 76 76 PRO C C 76 178.583 178.583 176.785 1.798 25660 2021 1 4 . 1 1 76 76 PRO CA C 76 64.021 64.021 63.069 0.952 25660 2022 1 4 . 1 1 76 76 PRO CB C 76 31.137 31.137 30.047 1.090 25660 2023 1 4 . 1 1 77 77 GLY N N 77 108.831 108.831 111.405 -2.574 25660 2024 1 4 . 1 1 77 77 GLY C C 77 174.866 174.866 174.036 0.830 25660 2025 1 4 . 1 1 77 77 GLY CA C 77 44.314 44.314 45.811 -1.497 25660 2026 1 4 . 1 1 77 77 GLY H H 77 8.563 8.563 8.226 0.337 25660 2027 1 4 . 1 1 78 78 THR N N 78 115.541 115.541 115.673 -0.132 25660 2028 1 4 . 1 1 78 78 THR HA H 78 4.226 4.226 4.576 -0.350 25660 2029 1 4 . 1 1 78 78 THR C C 78 173.114 173.114 175.409 -2.295 25660 2030 1 4 . 1 1 78 78 THR CA C 78 61.759 61.759 60.774 0.985 25660 2031 1 4 . 1 1 78 78 THR CB C 78 67.910 67.910 70.166 -2.256 25660 2032 1 4 . 1 1 78 78 THR H H 78 7.922 7.922 7.616 0.306 25660 2033 1 4 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.301 0.080 25660 2034 1 4 . 1 1 79 79 LYS C C 79 175.845 175.845 176.737 -0.892 25660 2035 1 4 . 1 1 79 79 LYS CA C 79 55.526 55.526 56.281 -0.755 25660 2036 1 4 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.428 -0.126 25660 2037 1 4 . 1 1 80 80 MET N N 80 123.515 123.515 121.294 2.221 25660 2038 1 4 . 1 1 80 80 MET HA H 80 2.934 2.934 4.385 -1.451 25660 2039 1 4 . 1 1 80 80 MET C C 80 171.833 171.833 175.704 -3.871 25660 2040 1 4 . 1 1 80 80 MET CA C 80 55.863 55.863 56.234 -0.371 25660 2041 1 4 . 1 1 80 80 MET CB C 80 27.552 27.552 33.250 -5.698 25660 2042 1 4 . 1 1 80 80 MET H H 80 7.384 7.384 7.397 -0.013 25660 2043 1 4 . 1 1 81 81 ILE N N 81 130.146 130.146 127.824 2.322 25660 2044 1 4 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.348 -0.863 25660 2045 1 4 . 1 1 81 81 ILE C C 81 173.220 173.220 174.620 -1.400 25660 2046 1 4 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.309 -1.024 25660 2047 1 4 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.939 -1.327 25660 2048 1 4 . 1 1 81 81 ILE H H 81 7.856 7.856 8.456 -0.600 25660 2049 1 4 . 1 1 82 82 PHE N N 82 123.143 123.143 127.335 -4.192 25660 2050 1 4 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.814 -0.487 25660 2051 1 4 . 1 1 82 82 PHE C C 82 174.333 174.333 174.419 -0.086 25660 2052 1 4 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.689 -1.111 25660 2053 1 4 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.798 -2.154 25660 2054 1 4 . 1 1 82 82 PHE H H 82 6.529 6.529 8.270 -1.741 25660 2055 1 4 . 1 1 83 83 VAL N N 83 125.079 125.079 124.371 0.708 25660 2056 1 4 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.955 -0.669 25660 2057 1 4 . 1 1 83 83 VAL C C 83 174.444 174.444 175.874 -1.430 25660 2058 1 4 . 1 1 83 83 VAL CA C 83 64.273 64.273 62.702 1.571 25660 2059 1 4 . 1 1 83 83 VAL CB C 83 31.352 31.352 32.231 -0.879 25660 2060 1 4 . 1 1 83 83 VAL H H 83 7.739 7.739 7.876 -0.137 25660 2061 1 4 . 1 1 84 84 GLY C C 84 172.113 172.113 173.033 -0.920 25660 2062 1 4 . 1 1 84 84 GLY CA C 84 42.836 42.836 45.073 -2.237 25660 2063 1 4 . 1 1 85 85 ILE N N 85 120.758 120.758 121.774 -1.016 25660 2064 1 4 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.555 -0.419 25660 2065 1 4 . 1 1 85 85 ILE C C 85 175.103 175.103 176.192 -1.089 25660 2066 1 4 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.511 -1.121 25660 2067 1 4 . 1 1 85 85 ILE CB C 85 39.528 39.528 39.791 -0.263 25660 2068 1 4 . 1 1 85 85 ILE H H 85 8.327 8.327 8.670 -0.343 25660 2069 1 4 . 1 1 86 86 LYS N N 86 127.466 127.466 127.921 -0.455 25660 2070 1 4 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.298 -0.326 25660 2071 1 4 . 1 1 86 86 LYS C C 86 178.442 178.442 176.603 1.839 25660 2072 1 4 . 1 1 86 86 LYS CA C 86 58.619 58.619 57.620 0.999 25660 2073 1 4 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.821 -0.478 25660 2074 1 4 . 1 1 86 86 LYS H H 86 8.518 8.518 8.629 -0.111 25660 2075 1 4 . 1 1 87 87 LYS N N 87 120.309 120.309 122.411 -2.102 25660 2076 1 4 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.380 -0.133 25660 2077 1 4 . 1 1 87 87 LYS C C 87 177.569 177.569 177.318 0.251 25660 2078 1 4 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.290 1.575 25660 2079 1 4 . 1 1 87 87 LYS CB C 87 32.531 32.531 32.306 0.225 25660 2080 1 4 . 1 1 87 87 LYS H H 87 8.368 8.368 8.036 0.332 25660 2081 1 4 . 1 1 88 88 LYS N N 88 129.999 129.999 126.712 3.287 25660 2082 1 4 . 1 1 88 88 LYS HA H 88 3.562 3.562 3.870 -0.308 25660 2083 1 4 . 1 1 88 88 LYS C C 88 177.664 177.664 178.314 -0.650 25660 2084 1 4 . 1 1 88 88 LYS CA C 88 60.314 60.314 59.846 0.467 25660 2085 1 4 . 1 1 88 88 LYS CB C 88 32.083 32.083 31.997 0.086 25660 2086 1 4 . 1 1 88 88 LYS H H 88 9.151 9.151 8.956 0.195 25660 2087 1 4 . 1 1 89 89 GLU N N 89 117.925 117.925 120.090 -2.165 25660 2088 1 4 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.182 -0.283 25660 2089 1 4 . 1 1 89 89 GLU C C 89 177.911 177.911 178.753 -0.842 25660 2090 1 4 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.397 0.363 25660 2091 1 4 . 1 1 89 89 GLU CB C 89 28.814 28.814 28.824 -0.010 25660 2092 1 4 . 1 1 89 89 GLU H H 89 9.462 9.462 8.740 0.722 25660 2093 1 4 . 1 1 90 90 GLU N N 90 116.437 116.437 118.315 -1.878 25660 2094 1 4 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.073 0.125 25660 2095 1 4 . 1 1 90 90 GLU C C 90 178.730 178.730 179.514 -0.784 25660 2096 1 4 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.559 -1.282 25660 2097 1 4 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.041 0.949 25660 2098 1 4 . 1 1 90 90 GLU H H 90 6.347 6.347 8.563 -2.216 25660 2099 1 4 . 1 1 91 91 ARG N N 91 117.405 117.405 118.549 -1.144 25660 2100 1 4 . 1 1 91 91 ARG HA H 91 3.740 3.740 3.950 -0.210 25660 2101 1 4 . 1 1 91 91 ARG C C 91 177.430 177.430 178.598 -1.168 25660 2102 1 4 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.814 1.368 25660 2103 1 4 . 1 1 91 91 ARG CB C 91 31.106 31.106 30.132 0.974 25660 2104 1 4 . 1 1 91 91 ARG H H 91 7.423 7.423 8.151 -0.728 25660 2105 1 4 . 1 1 92 92 ALA N N 92 120.161 120.161 121.692 -1.531 25660 2106 1 4 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.212 -0.242 25660 2107 1 4 . 1 1 92 92 ALA C C 92 181.044 181.044 179.813 1.231 25660 2108 1 4 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.835 0.446 25660 2109 1 4 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.141 -0.602 25660 2110 1 4 . 1 1 92 92 ALA H H 92 8.668 8.668 7.973 0.695 25660 2111 1 4 . 1 1 93 93 ASP N N 93 122.101 122.101 120.419 1.682 25660 2112 1 4 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.542 -0.334 25660 2113 1 4 . 1 1 93 93 ASP C C 93 177.634 177.634 178.366 -0.732 25660 2114 1 4 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.782 0.364 25660 2115 1 4 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.882 -1.330 25660 2116 1 4 . 1 1 93 93 ASP H H 93 8.153 8.153 8.023 0.130 25660 2117 1 4 . 1 1 94 94 LEU N N 94 121.208 121.208 122.500 -1.292 25660 2118 1 4 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.108 0.097 25660 2119 1 4 . 1 1 94 94 LEU C C 94 178.395 178.395 178.877 -0.482 25660 2120 1 4 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.112 0.183 25660 2121 1 4 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.260 -0.549 25660 2122 1 4 . 1 1 94 94 LEU H H 94 8.183 8.183 8.111 0.072 25660 2123 1 4 . 1 1 95 95 ILE N N 95 120.159 120.159 118.078 2.081 25660 2124 1 4 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.631 -0.022 25660 2125 1 4 . 1 1 95 95 ILE C C 95 176.351 176.351 177.477 -1.126 25660 2126 1 4 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.294 0.928 25660 2127 1 4 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.543 0.125 25660 2128 1 4 . 1 1 95 95 ILE H H 95 8.974 8.974 8.500 0.474 25660 2129 1 4 . 1 1 96 96 ALA N N 96 123.001 123.001 123.535 -0.534 25660 2130 1 4 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.916 0.110 25660 2131 1 4 . 1 1 96 96 ALA C C 96 180.700 180.700 179.233 1.467 25660 2132 1 4 . 1 1 96 96 ALA CA C 96 54.933 54.933 55.174 -0.241 25660 2133 1 4 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.095 -1.125 25660 2134 1 4 . 1 1 96 96 ALA H H 96 7.974 7.974 7.625 0.349 25660 2135 1 4 . 1 1 97 97 TYR N N 97 118.224 118.224 120.017 -1.793 25660 2136 1 4 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.095 0.102 25660 2137 1 4 . 1 1 97 97 TYR C C 97 176.278 176.278 177.448 -1.170 25660 2138 1 4 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.358 2.098 25660 2139 1 4 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.123 -1.180 25660 2140 1 4 . 1 1 97 97 TYR H H 97 8.089 8.089 8.119 -0.030 25660 2141 1 4 . 1 1 98 98 LEU N N 98 119.118 119.118 118.896 0.222 25660 2142 1 4 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.377 -0.043 25660 2143 1 4 . 1 1 98 98 LEU C C 98 179.188 179.188 178.900 0.288 25660 2144 1 4 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.886 -0.236 25660 2145 1 4 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.490 0.155 25660 2146 1 4 . 1 1 98 98 LEU H H 98 8.982 8.982 8.563 0.419 25660 2147 1 4 . 1 1 99 99 LYS N N 99 123.889 123.889 118.940 4.949 25660 2148 1 4 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.215 -0.666 25660 2149 1 4 . 1 1 99 99 LYS C C 99 176.653 176.653 178.994 -2.341 25660 2150 1 4 . 1 1 99 99 LYS CA C 99 59.190 59.190 59.112 0.078 25660 2151 1 4 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.872 -0.003 25660 2152 1 4 . 1 1 99 99 LYS H H 99 8.945 8.945 8.222 0.723 25660 2153 1 4 . 1 1 100 100 LYS N N 100 116.726 116.726 119.110 -2.384 25660 2154 1 4 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.032 -0.056 25660 2155 1 4 . 1 1 100 100 LYS C C 100 178.363 178.363 177.978 0.385 25660 2156 1 4 . 1 1 100 100 LYS CA C 100 57.655 57.655 58.465 -0.810 25660 2157 1 4 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.447 0.728 25660 2158 1 4 . 1 1 100 100 LYS H H 100 6.724 6.724 7.639 -0.915 25660 2159 1 4 . 1 1 101 101 ALA N N 101 119.416 119.416 118.721 0.695 25660 2160 1 4 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.726 -0.931 25660 2161 1 4 . 1 1 101 101 ALA C C 101 179.576 179.576 179.302 0.274 25660 2162 1 4 . 1 1 101 101 ALA CA C 101 54.401 54.401 53.863 0.538 25660 2163 1 4 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.673 -1.320 25660 2164 1 4 . 1 1 101 101 ALA H H 101 8.539 8.539 8.141 0.398 25660 2165 1 4 . 1 1 102 102 THR N N 102 101.974 101.974 112.124 -10.150 25660 2166 1 4 . 1 1 102 102 THR HA H 102 4.157 4.157 4.038 0.119 25660 2167 1 4 . 1 1 102 102 THR C C 102 172.872 172.872 175.250 -2.378 25660 2168 1 4 . 1 1 102 102 THR CA C 102 61.954 61.954 65.773 -3.819 25660 2169 1 4 . 1 1 102 102 THR CB C 102 69.403 69.403 68.308 1.095 25660 2170 1 4 . 1 1 102 102 THR H H 102 7.810 7.810 8.313 -0.503 25660 2171 1 4 . 1 1 103 103 ASN N N 103 118.372 118.372 118.160 0.212 25660 2172 1 4 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.709 0.058 25660 2173 1 4 . 1 1 103 103 ASN C C 103 173.663 173.663 175.538 -1.875 25660 2174 1 4 . 1 1 103 103 ASN CA C 103 52.469 52.469 53.426 -0.957 25660 2175 1 4 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.655 2.721 25660 2176 1 4 . 1 1 103 103 ASN H H 103 6.968 6.968 8.111 -1.143 25660 2177 1 5 . 1 1 2 2 ASP N N 2 124.691 124.691 120.898 3.793 25660 2178 1 5 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.929 -0.154 25660 2179 1 5 . 1 1 2 2 ASP C C 2 175.662 175.662 175.428 0.234 25660 2180 1 5 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.773 -0.001 25660 2181 1 5 . 1 1 2 2 ASP CB C 2 42.313 42.313 42.363 -0.050 25660 2182 1 5 . 1 1 2 2 ASP H H 2 9.541 9.541 8.511 1.030 25660 2183 1 5 . 1 1 3 3 VAL N N 3 123.739 123.739 118.785 4.954 25660 2184 1 5 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.921 -0.371 25660 2185 1 5 . 1 1 3 3 VAL C C 3 177.302 177.302 177.555 -0.253 25660 2186 1 5 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.464 0.482 25660 2187 1 5 . 1 1 3 3 VAL CB C 3 31.965 31.965 31.959 0.006 25660 2188 1 5 . 1 1 3 3 VAL H H 3 8.569 8.569 8.352 0.217 25660 2189 1 5 . 1 1 4 4 GLU N N 4 120.310 120.310 119.323 0.987 25660 2190 1 5 . 1 1 4 4 GLU HA H 4 4.008 4.008 3.992 0.016 25660 2191 1 5 . 1 1 4 4 GLU C C 4 180.515 180.515 178.863 1.652 25660 2192 1 5 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.322 -0.358 25660 2193 1 5 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.361 -0.882 25660 2194 1 5 . 1 1 4 4 GLU H H 4 8.083 8.083 7.914 0.169 25660 2195 1 5 . 1 1 5 5 LYS N N 5 121.058 121.058 117.979 3.079 25660 2196 1 5 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.251 -0.352 25660 2197 1 5 . 1 1 5 5 LYS C C 5 180.515 180.515 179.203 1.312 25660 2198 1 5 . 1 1 5 5 LYS CA C 5 59.459 59.459 57.195 2.264 25660 2199 1 5 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.171 0.283 25660 2200 1 5 . 1 1 5 5 LYS H H 5 8.096 8.096 7.624 0.472 25660 2201 1 5 . 1 1 6 6 GLY N N 6 107.193 107.193 108.760 -1.567 25660 2202 1 5 . 1 1 6 6 GLY C C 6 174.012 174.012 175.720 -1.708 25660 2203 1 5 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.865 -0.386 25660 2204 1 5 . 1 1 6 6 GLY H H 6 8.709 8.709 8.205 0.504 25660 2205 1 5 . 1 1 7 7 LYS N N 7 124.124 124.124 121.258 2.866 25660 2206 1 5 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.082 -0.922 25660 2207 1 5 . 1 1 7 7 LYS C C 7 177.457 177.457 178.660 -1.203 25660 2208 1 5 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.562 -0.510 25660 2209 1 5 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.779 0.326 25660 2210 1 5 . 1 1 7 7 LYS H H 7 8.039 8.039 7.850 0.189 25660 2211 1 5 . 1 1 8 8 LYS N N 8 116.732 116.732 118.274 -1.542 25660 2212 1 5 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.091 -0.276 25660 2213 1 5 . 1 1 8 8 LYS C C 8 179.228 179.228 179.032 0.196 25660 2214 1 5 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.586 0.736 25660 2215 1 5 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.917 -0.102 25660 2216 1 5 . 1 1 8 8 LYS H H 8 6.958 6.958 7.633 -0.675 25660 2217 1 5 . 1 1 9 9 ILE N N 9 119.269 119.269 119.544 -0.275 25660 2218 1 5 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.978 -0.259 25660 2219 1 5 . 1 1 9 9 ILE C C 9 177.006 177.006 177.964 -0.958 25660 2220 1 5 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.003 3.102 25660 2221 1 5 . 1 1 9 9 ILE CB C 9 37.562 37.562 36.913 0.650 25660 2222 1 5 . 1 1 9 9 ILE H H 9 7.681 7.681 7.545 0.136 25660 2223 1 5 . 1 1 10 10 PHE N N 10 120.908 120.908 122.292 -1.384 25660 2224 1 5 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.379 -0.406 25660 2225 1 5 . 1 1 10 10 PHE C C 10 178.820 178.820 177.818 1.002 25660 2226 1 5 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.967 0.197 25660 2227 1 5 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.709 -0.332 25660 2228 1 5 . 1 1 10 10 PHE H H 10 8.635 8.635 7.751 0.884 25660 2229 1 5 . 1 1 11 11 ILE N N 11 121.053 121.053 118.321 2.732 25660 2230 1 5 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.809 -0.493 25660 2231 1 5 . 1 1 11 11 ILE C C 11 178.867 178.867 177.479 1.388 25660 2232 1 5 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.562 1.060 25660 2233 1 5 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.968 -0.351 25660 2234 1 5 . 1 1 11 11 ILE H H 11 8.834 8.834 8.569 0.265 25660 2235 1 5 . 1 1 12 12 MET N N 12 117.328 117.328 118.367 -1.039 25660 2236 1 5 . 1 1 12 12 MET HA H 12 4.219 4.219 4.293 -0.074 25660 2237 1 5 . 1 1 12 12 MET C C 12 177.972 177.972 177.376 0.596 25660 2238 1 5 . 1 1 12 12 MET CA C 12 58.560 58.560 57.775 0.785 25660 2239 1 5 . 1 1 12 12 MET CB C 12 33.675 33.675 32.844 0.831 25660 2240 1 5 . 1 1 12 12 MET H H 12 8.047 8.047 7.921 0.126 25660 2241 1 5 . 1 1 13 13 LYS N N 13 113.452 113.452 115.682 -2.230 25660 2242 1 5 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.533 0.402 25660 2243 1 5 . 1 1 13 13 LYS C C 13 177.353 177.353 176.990 0.363 25660 2244 1 5 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.218 0.042 25660 2245 1 5 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.517 0.682 25660 2246 1 5 . 1 1 13 13 LYS H H 13 9.016 9.016 7.753 1.263 25660 2247 1 5 . 1 1 14 14 CYS N N 14 115.390 115.390 116.283 -0.893 25660 2248 1 5 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.537 0.759 25660 2249 1 5 . 1 1 14 14 CYS C C 14 177.723 177.723 175.553 2.170 25660 2250 1 5 . 1 1 14 14 CYS CA C 14 54.119 54.119 58.395 -4.277 25660 2251 1 5 . 1 1 14 14 CYS CB C 14 36.784 36.784 29.092 7.692 25660 2252 1 5 . 1 1 14 14 CYS H H 14 8.130 8.130 8.151 -0.021 25660 2253 1 5 . 1 1 15 15 SER N N 15 114.347 114.347 117.385 -3.038 25660 2254 1 5 . 1 1 15 15 SER HA H 15 3.768 3.768 4.375 -0.607 25660 2255 1 5 . 1 1 15 15 SER C C 15 174.272 174.272 175.913 -1.641 25660 2256 1 5 . 1 1 15 15 SER CA C 15 60.587 60.587 61.321 -0.734 25660 2257 1 5 . 1 1 15 15 SER CB C 15 62.483 62.483 63.375 -0.892 25660 2258 1 5 . 1 1 15 15 SER H H 15 7.297 7.297 8.039 -0.742 25660 2259 1 5 . 1 1 16 16 GLN N N 16 120.608 120.608 117.589 3.019 25660 2260 1 5 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.265 -0.356 25660 2261 1 5 . 1 1 16 16 GLN C C 16 176.559 176.559 176.477 0.082 25660 2262 1 5 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.684 0.254 25660 2263 1 5 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.528 -0.628 25660 2264 1 5 . 1 1 16 16 GLN H H 16 8.879 8.879 8.527 0.352 25660 2265 1 5 . 1 1 17 17 CYS N N 17 112.857 112.857 115.869 -3.012 25660 2266 1 5 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.777 -0.693 25660 2267 1 5 . 1 1 17 17 CYS C C 17 171.419 171.419 174.821 -3.402 25660 2268 1 5 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.641 -5.674 25660 2269 1 5 . 1 1 17 17 CYS CB C 17 38.172 38.172 30.087 8.085 25660 2270 1 5 . 1 1 17 17 CYS H H 17 6.805 6.805 7.904 -1.099 25660 2271 1 5 . 1 1 18 18 HIS N N 18 113.603 113.603 119.365 -5.762 25660 2272 1 5 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.158 -1.536 25660 2273 1 5 . 1 1 18 18 HIS CA C 18 53.514 53.514 56.483 -2.969 25660 2274 1 5 . 1 1 18 18 HIS CB C 18 31.916 31.916 31.525 0.391 25660 2275 1 5 . 1 1 18 18 HIS H H 18 6.223 6.223 8.396 -2.173 25660 2276 1 5 . 1 1 19 19 THR N N 19 109.280 109.280 113.555 -4.275 25660 2277 1 5 . 1 1 19 19 THR HA H 19 4.413 4.413 4.917 -0.504 25660 2278 1 5 . 1 1 19 19 THR C C 19 174.026 174.026 173.919 0.107 25660 2279 1 5 . 1 1 19 19 THR CA C 19 58.557 58.557 62.059 -3.502 25660 2280 1 5 . 1 1 19 19 THR CB C 19 71.176 71.176 71.073 0.103 25660 2281 1 5 . 1 1 19 19 THR H H 19 7.636 7.636 8.358 -0.722 25660 2282 1 5 . 1 1 20 20 VAL N N 20 110.620 110.620 121.302 -10.682 25660 2283 1 5 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.774 -1.009 25660 2284 1 5 . 1 1 20 20 VAL C C 20 173.470 173.470 175.099 -1.629 25660 2285 1 5 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.603 0.191 25660 2286 1 5 . 1 1 20 20 VAL CB C 20 33.427 33.427 29.669 3.757 25660 2287 1 5 . 1 1 20 20 VAL H H 20 7.675 7.675 8.594 -0.919 25660 2288 1 5 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.395 -0.261 25660 2289 1 5 . 1 1 21 21 GLU C C 21 177.538 177.538 175.979 1.559 25660 2290 1 5 . 1 1 21 21 GLU CA C 21 56.452 56.452 55.064 1.388 25660 2291 1 5 . 1 1 21 21 GLU CB C 21 29.646 29.646 31.416 -1.770 25660 2292 1 5 . 1 1 22 22 LYS N N 22 126.123 126.123 126.860 -0.737 25660 2293 1 5 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.910 -0.858 25660 2294 1 5 . 1 1 22 22 LYS C C 22 177.538 177.538 177.817 -0.279 25660 2295 1 5 . 1 1 22 22 LYS CA C 22 57.749 57.749 58.067 -0.318 25660 2296 1 5 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.617 -1.675 25660 2297 1 5 . 1 1 22 22 LYS H H 22 8.717 8.717 8.765 -0.048 25660 2298 1 5 . 1 1 23 23 GLY N N 23 117.177 117.177 111.913 5.264 25660 2299 1 5 . 1 1 23 23 GLY C C 23 174.531 174.531 174.487 0.044 25660 2300 1 5 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.565 0.341 25660 2301 1 5 . 1 1 23 23 GLY H H 23 9.078 9.078 8.775 0.303 25660 2302 1 5 . 1 1 24 24 GLY N N 24 107.042 107.042 108.452 -1.410 25660 2303 1 5 . 1 1 24 24 GLY C C 24 172.234 172.234 173.289 -1.055 25660 2304 1 5 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.809 -0.662 25660 2305 1 5 . 1 1 24 24 GLY H H 24 7.730 7.730 7.681 0.049 25660 2306 1 5 . 1 1 25 25 LYS N N 25 118.452 118.452 120.175 -1.723 25660 2307 1 5 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.534 -0.701 25660 2308 1 5 . 1 1 25 25 LYS C C 25 178.209 178.209 174.948 3.261 25660 2309 1 5 . 1 1 25 25 LYS CA C 25 55.712 55.712 54.731 0.981 25660 2310 1 5 . 1 1 25 25 LYS CB C 25 32.861 32.861 36.424 -3.563 25660 2311 1 5 . 1 1 25 25 LYS H H 25 8.222 8.222 8.268 -0.046 25660 2312 1 5 . 1 1 26 26 HIS N N 26 122.465 122.465 120.818 1.647 25660 2313 1 5 . 1 1 26 26 HIS HA H 26 4.192 4.192 5.252 -1.060 25660 2314 1 5 . 1 1 26 26 HIS C C 26 175.081 175.081 175.414 -0.333 25660 2315 1 5 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.213 0.600 25660 2316 1 5 . 1 1 26 26 HIS CB C 26 30.173 30.173 30.010 0.163 25660 2317 1 5 . 1 1 26 26 HIS H H 26 8.545 8.545 8.509 0.036 25660 2318 1 5 . 1 1 27 27 LYS N N 27 126.571 126.571 124.643 1.928 25660 2319 1 5 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.554 -0.184 25660 2320 1 5 . 1 1 27 27 LYS C C 27 175.781 175.781 176.095 -0.314 25660 2321 1 5 . 1 1 27 27 LYS CA C 27 55.066 55.066 55.576 -0.510 25660 2322 1 5 . 1 1 27 27 LYS CB C 27 30.731 30.731 33.361 -2.630 25660 2323 1 5 . 1 1 27 27 LYS H H 27 7.439 7.439 8.019 -0.580 25660 2324 1 5 . 1 1 28 28 THR HA H 28 4.017 4.017 4.148 -0.131 25660 2325 1 5 . 1 1 28 28 THR C C 28 174.931 174.931 175.158 -0.227 25660 2326 1 5 . 1 1 28 28 THR CA C 28 67.083 67.083 64.850 2.232 25660 2327 1 5 . 1 1 28 28 THR CB C 28 69.766 69.766 68.900 0.866 25660 2328 1 5 . 1 1 29 29 GLY N N 29 106.150 106.150 107.337 -1.187 25660 2329 1 5 . 1 1 29 29 GLY C C 29 169.328 169.328 171.884 -2.556 25660 2330 1 5 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.860 -1.978 25660 2331 1 5 . 1 1 29 29 GLY H H 29 7.548 7.548 7.444 0.104 25660 2332 1 5 . 1 1 30 30 PRO HA H 30 3.590 3.590 3.969 -0.379 25660 2333 1 5 . 1 1 30 30 PRO CA C 30 60.269 60.269 61.717 -1.448 25660 2334 1 5 . 1 1 30 30 PRO CB C 30 31.020 31.020 32.582 -1.562 25660 2335 1 5 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.628 -0.605 25660 2336 1 5 . 1 1 31 31 ASN C C 31 176.303 176.303 176.620 -0.317 25660 2337 1 5 . 1 1 31 31 ASN CA C 31 54.344 54.344 55.410 -1.066 25660 2338 1 5 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.700 1.085 25660 2339 1 5 . 1 1 31 31 ASN H H 31 10.198 10.198 8.599 1.599 25660 2340 1 5 . 1 1 32 32 LEU N N 32 121.653 121.653 114.550 7.103 25660 2341 1 5 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.881 -0.014 25660 2342 1 5 . 1 1 32 32 LEU C C 32 174.533 174.533 175.303 -0.770 25660 2343 1 5 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.702 -2.415 25660 2344 1 5 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.160 1.360 25660 2345 1 5 . 1 1 32 32 LEU H H 32 7.889 7.889 8.012 -0.123 25660 2346 1 5 . 1 1 33 33 HIS N N 33 119.860 119.860 117.196 2.664 25660 2347 1 5 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.493 -0.786 25660 2348 1 5 . 1 1 33 33 HIS C C 33 176.992 176.992 176.485 0.507 25660 2349 1 5 . 1 1 33 33 HIS CA C 33 60.491 60.491 57.426 3.065 25660 2350 1 5 . 1 1 33 33 HIS CB C 33 28.223 28.223 30.037 -1.814 25660 2351 1 5 . 1 1 33 33 HIS H H 33 7.445 7.445 7.757 -0.312 25660 2352 1 5 . 1 1 34 34 GLY N N 34 114.645 114.645 112.795 1.850 25660 2353 1 5 . 1 1 34 34 GLY C C 34 174.473 174.473 174.756 -0.283 25660 2354 1 5 . 1 1 34 34 GLY CA C 34 45.713 45.713 46.320 -0.607 25660 2355 1 5 . 1 1 34 34 GLY H H 34 8.763 8.763 8.808 -0.045 25660 2356 1 5 . 1 1 35 35 LEU N N 35 117.774 117.774 119.192 -1.418 25660 2357 1 5 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.118 -0.591 25660 2358 1 5 . 1 1 35 35 LEU C C 35 176.507 176.507 176.345 0.162 25660 2359 1 5 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.434 0.025 25660 2360 1 5 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.440 1.368 25660 2361 1 5 . 1 1 35 35 LEU H H 35 7.010 7.010 7.502 -0.492 25660 2362 1 5 . 1 1 36 36 PHE N N 36 113.600 113.600 116.908 -3.308 25660 2363 1 5 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.662 -0.814 25660 2364 1 5 . 1 1 36 36 PHE C C 36 176.553 176.553 176.947 -0.394 25660 2365 1 5 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.092 0.610 25660 2366 1 5 . 1 1 36 36 PHE CB C 36 36.223 36.223 38.574 -2.350 25660 2367 1 5 . 1 1 36 36 PHE H H 36 8.694 8.694 7.885 0.809 25660 2368 1 5 . 1 1 37 37 GLY N N 37 112.857 112.857 113.367 -0.510 25660 2369 1 5 . 1 1 37 37 GLY C C 37 173.382 173.382 173.749 -0.367 25660 2370 1 5 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.963 -0.508 25660 2371 1 5 . 1 1 37 37 GLY H H 37 8.839 8.839 8.206 0.633 25660 2372 1 5 . 1 1 38 38 ARG N N 38 124.035 124.035 117.525 6.510 25660 2373 1 5 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.786 -0.337 25660 2374 1 5 . 1 1 38 38 ARG C C 38 174.415 174.415 174.244 0.171 25660 2375 1 5 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.043 1.721 25660 2376 1 5 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.764 -0.353 25660 2377 1 5 . 1 1 38 38 ARG H H 38 8.215 8.215 7.766 0.449 25660 2378 1 5 . 1 1 39 39 LYS N N 39 123.290 123.290 118.905 4.385 25660 2379 1 5 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.201 0.646 25660 2380 1 5 . 1 1 39 39 LYS C C 39 172.219 172.219 176.726 -4.507 25660 2381 1 5 . 1 1 39 39 LYS CA C 39 55.199 55.199 56.082 -0.883 25660 2382 1 5 . 1 1 39 39 LYS CB C 39 33.682 33.682 33.486 0.196 25660 2383 1 5 . 1 1 39 39 LYS H H 39 8.147 8.147 8.494 -0.347 25660 2384 1 5 . 1 1 40 40 THR N N 40 113.158 113.158 111.199 1.959 25660 2385 1 5 . 1 1 40 40 THR HA H 40 4.463 4.463 4.651 -0.188 25660 2386 1 5 . 1 1 40 40 THR C C 40 175.638 175.638 174.878 0.760 25660 2387 1 5 . 1 1 40 40 THR CA C 40 61.920 61.920 60.736 1.184 25660 2388 1 5 . 1 1 40 40 THR CB C 40 68.539 68.539 71.233 -2.694 25660 2389 1 5 . 1 1 40 40 THR H H 40 7.804 7.804 8.211 -0.407 25660 2390 1 5 . 1 1 41 41 GLY N N 41 111.811 111.811 107.481 4.330 25660 2391 1 5 . 1 1 41 41 GLY C C 41 174.720 174.720 174.733 -0.013 25660 2392 1 5 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.166 0.243 25660 2393 1 5 . 1 1 41 41 GLY H H 41 9.040 9.040 8.631 0.409 25660 2394 1 5 . 1 1 42 42 GLN N N 42 117.180 117.180 114.725 2.455 25660 2395 1 5 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.376 -0.022 25660 2396 1 5 . 1 1 42 42 GLN C C 42 175.152 175.152 174.672 0.480 25660 2397 1 5 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.630 -1.015 25660 2398 1 5 . 1 1 42 42 GLN CB C 42 28.977 28.977 29.913 -0.936 25660 2399 1 5 . 1 1 42 42 GLN H H 42 8.084 8.084 8.338 -0.254 25660 2400 1 5 . 1 1 43 43 ALA N N 43 125.825 125.825 124.978 0.847 25660 2401 1 5 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.695 -0.159 25660 2402 1 5 . 1 1 43 43 ALA C C 43 175.308 175.308 177.208 -1.900 25660 2403 1 5 . 1 1 43 43 ALA CA C 43 49.991 49.991 50.989 -0.997 25660 2404 1 5 . 1 1 43 43 ALA CB C 43 18.488 18.488 18.409 0.079 25660 2405 1 5 . 1 1 43 43 ALA H H 43 8.063 8.063 7.942 0.121 25660 2406 1 5 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.210 0.146 25660 2407 1 5 . 1 1 44 44 PRO C C 44 178.294 178.294 177.013 1.281 25660 2408 1 5 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.448 -0.992 25660 2409 1 5 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.791 -0.277 25660 2410 1 5 . 1 1 45 45 GLY N N 45 112.024 112.024 103.370 8.654 25660 2411 1 5 . 1 1 45 45 GLY C C 45 173.301 173.301 172.975 0.326 25660 2412 1 5 . 1 1 45 45 GLY CA C 45 45.350 45.350 44.752 0.598 25660 2413 1 5 . 1 1 45 45 GLY H H 45 8.831 8.831 7.953 0.878 25660 2414 1 5 . 1 1 46 46 TYR N N 46 120.307 120.307 119.957 0.350 25660 2415 1 5 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.721 -0.529 25660 2416 1 5 . 1 1 46 46 TYR C C 46 174.910 174.910 174.748 0.162 25660 2417 1 5 . 1 1 46 46 TYR CA C 46 57.515 57.515 57.377 0.138 25660 2418 1 5 . 1 1 46 46 TYR CB C 46 39.539 39.539 40.455 -0.916 25660 2419 1 5 . 1 1 46 46 TYR H H 46 7.661 7.661 7.765 -0.104 25660 2420 1 5 . 1 1 50 50 ALA N N 50 125.381 125.381 126.887 -1.506 25660 2421 1 5 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.741 -0.575 25660 2422 1 5 . 1 1 50 50 ALA C C 50 178.430 178.430 178.565 -0.135 25660 2423 1 5 . 1 1 50 50 ALA CA C 50 53.813 53.813 52.375 1.438 25660 2424 1 5 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.314 -1.373 25660 2425 1 5 . 1 1 50 50 ALA H H 50 8.507 8.507 8.565 -0.058 25660 2426 1 5 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.993 -0.000 25660 2427 1 5 . 1 1 51 51 ALA C C 51 178.634 178.634 179.327 -0.693 25660 2428 1 5 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.585 -0.653 25660 2429 1 5 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.502 -0.253 25660 2430 1 5 . 1 1 52 52 ASN N N 52 117.178 117.178 115.339 1.839 25660 2431 1 5 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.485 -0.156 25660 2432 1 5 . 1 1 52 52 ASN C C 52 176.255 176.255 176.854 -0.599 25660 2433 1 5 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.605 0.164 25660 2434 1 5 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.572 0.681 25660 2435 1 5 . 1 1 52 52 ASN H H 52 8.286 8.286 8.609 -0.323 25660 2436 1 5 . 1 1 53 53 LYS N N 53 120.164 120.164 119.082 1.082 25660 2437 1 5 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.172 -0.444 25660 2438 1 5 . 1 1 53 53 LYS C C 53 177.676 177.676 175.807 1.869 25660 2439 1 5 . 1 1 53 53 LYS CA C 53 58.402 58.402 57.865 0.537 25660 2440 1 5 . 1 1 53 53 LYS CB C 53 32.296 32.296 33.062 -0.766 25660 2441 1 5 . 1 1 53 53 LYS H H 53 8.152 8.152 7.743 0.409 25660 2442 1 5 . 1 1 54 54 ASN N N 54 116.286 116.286 116.726 -0.440 25660 2443 1 5 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.785 -0.396 25660 2444 1 5 . 1 1 54 54 ASN C C 54 175.501 175.501 175.447 0.054 25660 2445 1 5 . 1 1 54 54 ASN CA C 54 53.488 53.488 53.419 0.070 25660 2446 1 5 . 1 1 54 54 ASN CB C 54 38.101 38.101 39.081 -0.980 25660 2447 1 5 . 1 1 54 54 ASN H H 54 8.553 8.553 7.567 0.986 25660 2448 1 5 . 1 1 55 55 LYS N N 55 121.354 121.354 120.395 0.959 25660 2449 1 5 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.216 -0.184 25660 2450 1 5 . 1 1 55 55 LYS C C 55 177.422 177.422 177.500 -0.078 25660 2451 1 5 . 1 1 55 55 LYS CA C 55 56.818 56.818 56.262 0.556 25660 2452 1 5 . 1 1 55 55 LYS CB C 55 31.536 31.536 32.204 -0.668 25660 2453 1 5 . 1 1 55 55 LYS H H 55 7.634 7.634 7.831 -0.197 25660 2454 1 5 . 1 1 56 56 GLY CA C 56 46.052 46.052 45.576 0.476 25660 2455 1 5 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.400 -0.358 25660 2456 1 5 . 1 1 57 57 ILE C C 57 173.923 173.923 174.178 -0.255 25660 2457 1 5 . 1 1 57 57 ILE CA C 57 58.621 58.621 58.249 0.371 25660 2458 1 5 . 1 1 57 57 ILE CB C 57 38.366 38.366 40.483 -2.117 25660 2459 1 5 . 1 1 58 58 ILE N N 58 121.053 121.053 115.814 5.239 25660 2460 1 5 . 1 1 58 58 ILE HA H 58 4.082 4.082 4.206 -0.124 25660 2461 1 5 . 1 1 58 58 ILE C C 58 177.495 177.495 175.885 1.610 25660 2462 1 5 . 1 1 58 58 ILE CA C 58 58.867 58.867 60.191 -1.324 25660 2463 1 5 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.656 -0.152 25660 2464 1 5 . 1 1 58 58 ILE H H 58 7.988 7.988 7.782 0.206 25660 2465 1 5 . 1 1 59 59 TRP N N 59 130.896 130.896 122.379 8.517 25660 2466 1 5 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.312 0.516 25660 2467 1 5 . 1 1 59 59 TRP C C 59 175.793 175.793 175.610 0.183 25660 2468 1 5 . 1 1 59 59 TRP CA C 59 57.229 57.229 57.962 -0.733 25660 2469 1 5 . 1 1 59 59 TRP CB C 59 29.908 29.908 28.333 1.575 25660 2470 1 5 . 1 1 59 59 TRP H H 59 8.931 8.931 8.035 0.896 25660 2471 1 5 . 1 1 60 60 GLY N N 60 111.218 111.218 110.331 0.887 25660 2472 1 5 . 1 1 60 60 GLY C C 60 171.636 171.636 173.673 -2.037 25660 2473 1 5 . 1 1 60 60 GLY CA C 60 44.214 44.214 44.489 -0.275 25660 2474 1 5 . 1 1 60 60 GLY H H 60 7.839 7.839 7.664 0.175 25660 2475 1 5 . 1 1 61 61 GLU N N 61 120.606 120.606 119.382 1.224 25660 2476 1 5 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.047 -0.189 25660 2477 1 5 . 1 1 61 61 GLU C C 61 177.011 177.011 178.264 -1.253 25660 2478 1 5 . 1 1 61 61 GLU CA C 61 62.088 62.088 60.178 1.909 25660 2479 1 5 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.777 -0.413 25660 2480 1 5 . 1 1 61 61 GLU H H 61 9.619 9.619 8.879 0.740 25660 2481 1 5 . 1 1 62 62 ASP N N 62 114.943 114.943 116.245 -1.302 25660 2482 1 5 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.547 -0.213 25660 2483 1 5 . 1 1 62 62 ASP C C 62 179.228 179.228 177.570 1.658 25660 2484 1 5 . 1 1 62 62 ASP CA C 62 57.208 57.208 56.684 0.524 25660 2485 1 5 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.487 -1.010 25660 2486 1 5 . 1 1 62 62 ASP H H 62 8.396 8.396 8.697 -0.301 25660 2487 1 5 . 1 1 63 63 THR N N 63 112.857 112.857 117.392 -4.535 25660 2488 1 5 . 1 1 63 63 THR HA H 63 4.116 4.116 4.291 -0.175 25660 2489 1 5 . 1 1 63 63 THR C C 63 177.971 177.971 176.363 1.608 25660 2490 1 5 . 1 1 63 63 THR CA C 63 63.601 63.601 65.536 -1.935 25660 2491 1 5 . 1 1 63 63 THR CB C 63 68.918 68.918 69.220 -0.302 25660 2492 1 5 . 1 1 63 63 THR H H 63 8.246 8.246 7.337 0.909 25660 2493 1 5 . 1 1 64 64 LEU N N 64 121.355 121.355 122.378 -1.023 25660 2494 1 5 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.087 0.146 25660 2495 1 5 . 1 1 64 64 LEU C C 64 178.628 178.628 178.735 -0.107 25660 2496 1 5 . 1 1 64 64 LEU CA C 64 58.314 58.314 58.375 -0.061 25660 2497 1 5 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.624 0.731 25660 2498 1 5 . 1 1 64 64 LEU H H 64 8.809 8.809 8.592 0.217 25660 2499 1 5 . 1 1 65 65 MET N N 65 118.519 118.519 115.674 2.845 25660 2500 1 5 . 1 1 65 65 MET HA H 65 3.896 3.896 4.294 -0.398 25660 2501 1 5 . 1 1 65 65 MET C C 65 177.782 177.782 176.889 0.893 25660 2502 1 5 . 1 1 65 65 MET CA C 65 57.910 57.910 58.181 -0.271 25660 2503 1 5 . 1 1 65 65 MET CB C 65 31.019 31.019 32.726 -1.707 25660 2504 1 5 . 1 1 65 65 MET H H 65 7.934 7.934 7.797 0.137 25660 2505 1 5 . 1 1 66 66 GLU N N 66 117.027 117.027 118.366 -1.339 25660 2506 1 5 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.105 -0.147 25660 2507 1 5 . 1 1 66 66 GLU C C 66 178.928 178.928 178.160 0.768 25660 2508 1 5 . 1 1 66 66 GLU CA C 66 58.103 58.103 57.628 0.475 25660 2509 1 5 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.351 0.325 25660 2510 1 5 . 1 1 66 66 GLU H H 66 6.795 6.795 7.470 -0.675 25660 2511 1 5 . 1 1 67 67 TYR N N 67 120.608 120.608 122.062 -1.454 25660 2512 1 5 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.042 -0.541 25660 2513 1 5 . 1 1 67 67 TYR C C 67 176.312 176.312 177.600 -1.288 25660 2514 1 5 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.608 -1.697 25660 2515 1 5 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.993 1.125 25660 2516 1 5 . 1 1 67 67 TYR H H 67 8.170 8.170 7.908 0.262 25660 2517 1 5 . 1 1 68 68 LEU N N 68 109.278 109.278 117.598 -8.320 25660 2518 1 5 . 1 1 68 68 LEU HA H 68 2.986 2.986 4.004 -1.018 25660 2519 1 5 . 1 1 68 68 LEU C C 68 176.652 176.652 178.832 -2.180 25660 2520 1 5 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.749 -1.538 25660 2521 1 5 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.304 -0.116 25660 2522 1 5 . 1 1 68 68 LEU H H 68 8.108 8.108 8.511 -0.403 25660 2523 1 5 . 1 1 69 69 GLU N N 69 119.118 119.118 120.345 -1.227 25660 2524 1 5 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.309 -0.449 25660 2525 1 5 . 1 1 69 69 GLU C C 69 176.033 176.033 175.854 0.179 25660 2526 1 5 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.227 -0.701 25660 2527 1 5 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.279 -0.730 25660 2528 1 5 . 1 1 69 69 GLU H H 69 6.783 6.783 8.360 -1.577 25660 2529 1 5 . 1 1 70 70 ASN N N 70 105.553 105.553 110.987 -5.434 25660 2530 1 5 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.076 -0.945 25660 2531 1 5 . 1 1 70 70 ASN C C 70 172.247 172.247 172.665 -0.418 25660 2532 1 5 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.380 -0.015 25660 2533 1 5 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.603 -1.806 25660 2534 1 5 . 1 1 70 70 ASN H H 70 6.092 6.092 7.645 -1.553 25660 2535 1 5 . 1 1 71 71 PRO HA H 71 3.517 3.517 3.935 -0.418 25660 2536 1 5 . 1 1 71 71 PRO C C 71 176.414 176.414 178.052 -1.638 25660 2537 1 5 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.455 0.217 25660 2538 1 5 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.675 -1.740 25660 2539 1 5 . 1 1 72 72 LYS N N 72 113.454 113.454 116.262 -2.808 25660 2540 1 5 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.030 -0.315 25660 2541 1 5 . 1 1 72 72 LYS C C 72 177.234 177.234 178.284 -1.050 25660 2542 1 5 . 1 1 72 72 LYS CA C 72 57.046 57.046 58.753 -1.707 25660 2543 1 5 . 1 1 72 72 LYS CB C 72 31.565 31.565 30.803 0.762 25660 2544 1 5 . 1 1 72 72 LYS H H 72 7.457 7.457 8.776 -1.319 25660 2545 1 5 . 1 1 73 73 LYS N N 73 118.522 118.522 118.874 -0.352 25660 2546 1 5 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.132 -0.342 25660 2547 1 5 . 1 1 73 73 LYS C C 73 176.890 176.890 178.995 -2.105 25660 2548 1 5 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.452 -1.045 25660 2549 1 5 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.743 0.156 25660 2550 1 5 . 1 1 73 73 LYS H H 73 6.855 6.855 7.540 -0.685 25660 2551 1 5 . 1 1 74 74 TYR N N 74 118.674 118.674 119.382 -0.708 25660 2552 1 5 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.262 -0.031 25660 2553 1 5 . 1 1 74 74 TYR C C 74 175.794 175.794 174.734 1.060 25660 2554 1 5 . 1 1 74 74 TYR CA C 74 60.721 60.721 60.699 0.022 25660 2555 1 5 . 1 1 74 74 TYR CB C 74 39.536 39.536 40.424 -0.888 25660 2556 1 5 . 1 1 74 74 TYR H H 74 7.219 7.219 7.767 -0.548 25660 2557 1 5 . 1 1 75 75 ILE N N 75 114.346 114.346 116.742 -2.396 25660 2558 1 5 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.419 -0.352 25660 2559 1 5 . 1 1 75 75 ILE C C 75 179.773 179.773 173.532 6.241 25660 2560 1 5 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.536 -0.062 25660 2561 1 5 . 1 1 75 75 ILE CB C 75 37.615 37.615 40.420 -2.805 25660 2562 1 5 . 1 1 75 75 ILE H H 75 8.189 8.189 8.425 -0.236 25660 2563 1 5 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.600 -0.123 25660 2564 1 5 . 1 1 76 76 PRO C C 76 178.583 178.583 176.723 1.860 25660 2565 1 5 . 1 1 76 76 PRO CA C 76 64.021 64.021 63.072 0.949 25660 2566 1 5 . 1 1 76 76 PRO CB C 76 31.137 31.137 29.901 1.236 25660 2567 1 5 . 1 1 77 77 GLY N N 77 108.831 108.831 110.441 -1.610 25660 2568 1 5 . 1 1 77 77 GLY C C 77 174.866 174.866 173.002 1.864 25660 2569 1 5 . 1 1 77 77 GLY CA C 77 44.314 44.314 45.728 -1.414 25660 2570 1 5 . 1 1 77 77 GLY H H 77 8.563 8.563 8.321 0.242 25660 2571 1 5 . 1 1 78 78 THR N N 78 115.541 115.541 112.831 2.710 25660 2572 1 5 . 1 1 78 78 THR HA H 78 4.226 4.226 4.806 -0.580 25660 2573 1 5 . 1 1 78 78 THR C C 78 173.114 173.114 174.455 -1.341 25660 2574 1 5 . 1 1 78 78 THR CA C 78 61.759 61.759 59.567 2.192 25660 2575 1 5 . 1 1 78 78 THR CB C 78 67.910 67.910 70.659 -2.748 25660 2576 1 5 . 1 1 78 78 THR H H 78 7.922 7.922 7.809 0.113 25660 2577 1 5 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.421 -0.040 25660 2578 1 5 . 1 1 79 79 LYS C C 79 175.845 175.845 176.637 -0.792 25660 2579 1 5 . 1 1 79 79 LYS CA C 79 55.526 55.526 55.820 -0.294 25660 2580 1 5 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.623 -0.320 25660 2581 1 5 . 1 1 80 80 MET N N 80 123.515 123.515 121.650 1.865 25660 2582 1 5 . 1 1 80 80 MET HA H 80 2.934 2.934 4.370 -1.436 25660 2583 1 5 . 1 1 80 80 MET C C 80 171.833 171.833 174.937 -3.104 25660 2584 1 5 . 1 1 80 80 MET CA C 80 55.863 55.863 55.845 0.018 25660 2585 1 5 . 1 1 80 80 MET CB C 80 27.552 27.552 32.475 -4.923 25660 2586 1 5 . 1 1 80 80 MET H H 80 7.384 7.384 7.514 -0.130 25660 2587 1 5 . 1 1 81 81 ILE N N 81 130.146 130.146 128.646 1.500 25660 2588 1 5 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.290 -0.805 25660 2589 1 5 . 1 1 81 81 ILE C C 81 173.220 173.220 174.993 -1.773 25660 2590 1 5 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.001 -0.716 25660 2591 1 5 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.816 -1.204 25660 2592 1 5 . 1 1 81 81 ILE H H 81 7.856 7.856 8.299 -0.443 25660 2593 1 5 . 1 1 82 82 PHE N N 82 123.143 123.143 127.870 -4.727 25660 2594 1 5 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.872 -0.545 25660 2595 1 5 . 1 1 82 82 PHE C C 82 174.333 174.333 175.650 -1.317 25660 2596 1 5 . 1 1 82 82 PHE CA C 82 56.578 56.578 56.716 -0.138 25660 2597 1 5 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.572 -1.928 25660 2598 1 5 . 1 1 82 82 PHE H H 82 6.529 6.529 8.461 -1.932 25660 2599 1 5 . 1 1 83 83 VAL N N 83 125.079 125.079 119.772 5.307 25660 2600 1 5 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.971 -0.685 25660 2601 1 5 . 1 1 83 83 VAL C C 83 174.444 174.444 175.862 -1.418 25660 2602 1 5 . 1 1 83 83 VAL CA C 83 64.273 64.273 62.134 2.139 25660 2603 1 5 . 1 1 83 83 VAL CB C 83 31.352 31.352 31.754 -0.402 25660 2604 1 5 . 1 1 83 83 VAL H H 83 7.739 7.739 7.244 0.495 25660 2605 1 5 . 1 1 84 84 GLY C C 84 172.113 172.113 173.403 -1.290 25660 2606 1 5 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.559 -1.723 25660 2607 1 5 . 1 1 85 85 ILE N N 85 120.758 120.758 122.902 -2.144 25660 2608 1 5 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.228 -0.092 25660 2609 1 5 . 1 1 85 85 ILE C C 85 175.103 175.103 176.726 -1.623 25660 2610 1 5 . 1 1 85 85 ILE CA C 85 59.390 59.390 61.045 -1.655 25660 2611 1 5 . 1 1 85 85 ILE CB C 85 39.528 39.528 39.176 0.352 25660 2612 1 5 . 1 1 85 85 ILE H H 85 8.327 8.327 8.755 -0.428 25660 2613 1 5 . 1 1 86 86 LYS N N 86 127.466 127.466 126.103 1.363 25660 2614 1 5 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.285 -0.313 25660 2615 1 5 . 1 1 86 86 LYS C C 86 178.442 178.442 176.465 1.977 25660 2616 1 5 . 1 1 86 86 LYS CA C 86 58.619 58.619 57.424 1.195 25660 2617 1 5 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.801 -0.458 25660 2618 1 5 . 1 1 86 86 LYS H H 86 8.518 8.518 8.577 -0.059 25660 2619 1 5 . 1 1 87 87 LYS N N 87 120.309 120.309 120.649 -0.340 25660 2620 1 5 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.351 -0.104 25660 2621 1 5 . 1 1 87 87 LYS C C 87 177.569 177.569 177.040 0.529 25660 2622 1 5 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.455 1.410 25660 2623 1 5 . 1 1 87 87 LYS CB C 87 32.531 32.531 32.061 0.470 25660 2624 1 5 . 1 1 87 87 LYS H H 87 8.368 8.368 7.962 0.406 25660 2625 1 5 . 1 1 88 88 LYS N N 88 129.999 129.999 128.498 1.501 25660 2626 1 5 . 1 1 88 88 LYS HA H 88 3.562 3.562 3.868 -0.306 25660 2627 1 5 . 1 1 88 88 LYS C C 88 177.664 177.664 178.151 -0.487 25660 2628 1 5 . 1 1 88 88 LYS CA C 88 60.314 60.314 59.827 0.487 25660 2629 1 5 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.632 -0.548 25660 2630 1 5 . 1 1 88 88 LYS H H 88 9.151 9.151 8.889 0.262 25660 2631 1 5 . 1 1 89 89 GLU N N 89 117.925 117.925 115.761 2.164 25660 2632 1 5 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.088 -0.189 25660 2633 1 5 . 1 1 89 89 GLU C C 89 177.911 177.911 178.376 -0.465 25660 2634 1 5 . 1 1 89 89 GLU CA C 89 59.760 59.760 58.870 0.890 25660 2635 1 5 . 1 1 89 89 GLU CB C 89 28.814 28.814 29.095 -0.281 25660 2636 1 5 . 1 1 89 89 GLU H H 89 9.462 9.462 8.765 0.697 25660 2637 1 5 . 1 1 90 90 GLU N N 90 116.437 116.437 119.350 -2.913 25660 2638 1 5 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.368 -0.170 25660 2639 1 5 . 1 1 90 90 GLU C C 90 178.730 178.730 178.653 0.077 25660 2640 1 5 . 1 1 90 90 GLU CA C 90 58.277 58.277 57.776 0.500 25660 2641 1 5 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.775 0.215 25660 2642 1 5 . 1 1 90 90 GLU H H 90 6.347 6.347 7.675 -1.328 25660 2643 1 5 . 1 1 91 91 ARG N N 91 117.405 117.405 120.160 -2.755 25660 2644 1 5 . 1 1 91 91 ARG HA H 91 3.740 3.740 3.998 -0.258 25660 2645 1 5 . 1 1 91 91 ARG C C 91 177.430 177.430 178.179 -0.749 25660 2646 1 5 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.329 1.853 25660 2647 1 5 . 1 1 91 91 ARG CB C 91 31.106 31.106 29.579 1.527 25660 2648 1 5 . 1 1 91 91 ARG H H 91 7.423 7.423 7.732 -0.309 25660 2649 1 5 . 1 1 92 92 ALA N N 92 120.161 120.161 121.650 -1.489 25660 2650 1 5 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.068 -0.098 25660 2651 1 5 . 1 1 92 92 ALA C C 92 181.044 181.044 179.614 1.430 25660 2652 1 5 . 1 1 92 92 ALA CA C 92 55.281 55.281 55.522 -0.241 25660 2653 1 5 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.114 -0.576 25660 2654 1 5 . 1 1 92 92 ALA H H 92 8.668 8.668 7.717 0.951 25660 2655 1 5 . 1 1 93 93 ASP N N 93 122.101 122.101 119.494 2.607 25660 2656 1 5 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.529 -0.321 25660 2657 1 5 . 1 1 93 93 ASP C C 93 177.634 177.634 178.268 -0.634 25660 2658 1 5 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.706 0.441 25660 2659 1 5 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.915 -1.363 25660 2660 1 5 . 1 1 93 93 ASP H H 93 8.153 8.153 7.694 0.459 25660 2661 1 5 . 1 1 94 94 LEU N N 94 121.208 121.208 123.014 -1.806 25660 2662 1 5 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.073 0.132 25660 2663 1 5 . 1 1 94 94 LEU C C 94 178.395 178.395 178.671 -0.276 25660 2664 1 5 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.221 0.074 25660 2665 1 5 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.281 -0.570 25660 2666 1 5 . 1 1 94 94 LEU H H 94 8.183 8.183 8.184 -0.001 25660 2667 1 5 . 1 1 95 95 ILE N N 95 120.159 120.159 117.874 2.285 25660 2668 1 5 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.634 -0.025 25660 2669 1 5 . 1 1 95 95 ILE C C 95 176.351 176.351 177.448 -1.097 25660 2670 1 5 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.385 0.837 25660 2671 1 5 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.611 0.057 25660 2672 1 5 . 1 1 95 95 ILE H H 95 8.974 8.974 8.598 0.376 25660 2673 1 5 . 1 1 96 96 ALA N N 96 123.001 123.001 122.754 0.247 25660 2674 1 5 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.933 0.093 25660 2675 1 5 . 1 1 96 96 ALA C C 96 180.700 180.700 179.304 1.396 25660 2676 1 5 . 1 1 96 96 ALA CA C 96 54.933 54.933 54.881 0.052 25660 2677 1 5 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.177 -1.207 25660 2678 1 5 . 1 1 96 96 ALA H H 96 7.974 7.974 7.517 0.457 25660 2679 1 5 . 1 1 97 97 TYR N N 97 118.224 118.224 120.127 -1.903 25660 2680 1 5 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.087 0.110 25660 2681 1 5 . 1 1 97 97 TYR C C 97 176.278 176.278 177.290 -1.012 25660 2682 1 5 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.595 1.861 25660 2683 1 5 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.270 -1.327 25660 2684 1 5 . 1 1 97 97 TYR H H 97 8.089 8.089 8.111 -0.022 25660 2685 1 5 . 1 1 98 98 LEU N N 98 119.118 119.118 119.085 0.033 25660 2686 1 5 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.277 0.057 25660 2687 1 5 . 1 1 98 98 LEU C C 98 179.188 179.188 178.919 0.269 25660 2688 1 5 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.799 -0.149 25660 2689 1 5 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.136 0.509 25660 2690 1 5 . 1 1 98 98 LEU H H 98 8.982 8.982 8.554 0.428 25660 2691 1 5 . 1 1 99 99 LYS N N 99 123.889 123.889 116.801 7.088 25660 2692 1 5 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.536 -0.987 25660 2693 1 5 . 1 1 99 99 LYS C C 99 176.653 176.653 177.886 -1.233 25660 2694 1 5 . 1 1 99 99 LYS CA C 99 59.190 59.190 58.497 0.693 25660 2695 1 5 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.860 0.009 25660 2696 1 5 . 1 1 99 99 LYS H H 99 8.945 8.945 7.951 0.994 25660 2697 1 5 . 1 1 100 100 LYS N N 100 116.726 116.726 117.110 -0.384 25660 2698 1 5 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.100 -0.124 25660 2699 1 5 . 1 1 100 100 LYS C C 100 178.363 178.363 177.113 1.250 25660 2700 1 5 . 1 1 100 100 LYS CA C 100 57.655 57.655 57.657 -0.002 25660 2701 1 5 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.884 0.291 25660 2702 1 5 . 1 1 100 100 LYS H H 100 6.724 6.724 7.362 -0.638 25660 2703 1 5 . 1 1 101 101 ALA N N 101 119.416 119.416 118.396 1.020 25660 2704 1 5 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.514 -0.719 25660 2705 1 5 . 1 1 101 101 ALA C C 101 179.576 179.576 179.632 -0.056 25660 2706 1 5 . 1 1 101 101 ALA CA C 101 54.401 54.401 53.680 0.721 25660 2707 1 5 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.341 -0.988 25660 2708 1 5 . 1 1 101 101 ALA H H 101 8.539 8.539 7.616 0.923 25660 2709 1 5 . 1 1 102 102 THR N N 102 101.974 101.974 112.925 -10.951 25660 2710 1 5 . 1 1 102 102 THR HA H 102 4.157 4.157 3.346 0.811 25660 2711 1 5 . 1 1 102 102 THR C C 102 172.872 172.872 175.758 -2.886 25660 2712 1 5 . 1 1 102 102 THR CA C 102 61.954 61.954 65.255 -3.301 25660 2713 1 5 . 1 1 102 102 THR CB C 102 69.403 69.403 68.152 1.251 25660 2714 1 5 . 1 1 102 102 THR H H 102 7.810 7.810 8.076 -0.266 25660 2715 1 5 . 1 1 103 103 ASN N N 103 118.372 118.372 117.878 0.494 25660 2716 1 5 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.640 0.127 25660 2717 1 5 . 1 1 103 103 ASN C C 103 173.663 173.663 175.664 -2.001 25660 2718 1 5 . 1 1 103 103 ASN CA C 103 52.469 52.469 53.672 -1.203 25660 2719 1 5 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.225 3.151 25660 2720 1 5 . 1 1 103 103 ASN H H 103 6.968 6.968 7.925 -0.957 25660 2721 1 6 . 1 1 2 2 ASP N N 2 124.691 124.691 121.039 3.652 25660 2722 1 6 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.926 -0.151 25660 2723 1 6 . 1 1 2 2 ASP C C 2 175.662 175.662 175.518 0.144 25660 2724 1 6 . 1 1 2 2 ASP CA C 2 52.772 52.772 53.014 -0.242 25660 2725 1 6 . 1 1 2 2 ASP CB C 2 42.313 42.313 42.699 -0.386 25660 2726 1 6 . 1 1 2 2 ASP H H 2 9.541 9.541 8.468 1.073 25660 2727 1 6 . 1 1 3 3 VAL N N 3 123.739 123.739 118.173 5.566 25660 2728 1 6 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.926 -0.376 25660 2729 1 6 . 1 1 3 3 VAL C C 3 177.302 177.302 177.099 0.203 25660 2730 1 6 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.675 0.271 25660 2731 1 6 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.122 -0.157 25660 2732 1 6 . 1 1 3 3 VAL H H 3 8.569 8.569 8.421 0.148 25660 2733 1 6 . 1 1 4 4 GLU N N 4 120.310 120.310 118.543 1.767 25660 2734 1 6 . 1 1 4 4 GLU HA H 4 4.008 4.008 4.175 -0.167 25660 2735 1 6 . 1 1 4 4 GLU C C 4 180.515 180.515 178.924 1.591 25660 2736 1 6 . 1 1 4 4 GLU CA C 4 58.963 58.963 58.266 0.697 25660 2737 1 6 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.686 -1.207 25660 2738 1 6 . 1 1 4 4 GLU H H 4 8.083 8.083 8.787 -0.704 25660 2739 1 6 . 1 1 5 5 LYS N N 5 121.058 121.058 119.311 1.747 25660 2740 1 6 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.064 -0.165 25660 2741 1 6 . 1 1 5 5 LYS C C 5 180.515 180.515 178.572 1.943 25660 2742 1 6 . 1 1 5 5 LYS CA C 5 59.459 59.459 58.737 0.722 25660 2743 1 6 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.139 0.315 25660 2744 1 6 . 1 1 5 5 LYS H H 5 8.096 8.096 8.450 -0.354 25660 2745 1 6 . 1 1 6 6 GLY N N 6 107.193 107.193 106.227 0.966 25660 2746 1 6 . 1 1 6 6 GLY C C 6 174.012 174.012 175.605 -1.593 25660 2747 1 6 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.233 0.246 25660 2748 1 6 . 1 1 6 6 GLY H H 6 8.709 8.709 7.921 0.788 25660 2749 1 6 . 1 1 7 7 LYS N N 7 124.124 124.124 121.672 2.452 25660 2750 1 6 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.244 -1.084 25660 2751 1 6 . 1 1 7 7 LYS C C 7 177.457 177.457 178.427 -0.970 25660 2752 1 6 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.592 -0.540 25660 2753 1 6 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.906 0.199 25660 2754 1 6 . 1 1 7 7 LYS H H 7 8.039 8.039 7.781 0.258 25660 2755 1 6 . 1 1 8 8 LYS N N 8 116.732 116.732 117.942 -1.210 25660 2756 1 6 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.076 -0.261 25660 2757 1 6 . 1 1 8 8 LYS C C 8 179.228 179.228 179.174 0.054 25660 2758 1 6 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.649 0.673 25660 2759 1 6 . 1 1 8 8 LYS CB C 8 31.815 31.815 32.047 -0.232 25660 2760 1 6 . 1 1 8 8 LYS H H 8 6.958 6.958 7.607 -0.649 25660 2761 1 6 . 1 1 9 9 ILE N N 9 119.269 119.269 119.850 -0.581 25660 2762 1 6 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.966 -0.247 25660 2763 1 6 . 1 1 9 9 ILE C C 9 177.006 177.006 177.614 -0.608 25660 2764 1 6 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.049 3.056 25660 2765 1 6 . 1 1 9 9 ILE CB C 9 37.562 37.562 37.057 0.505 25660 2766 1 6 . 1 1 9 9 ILE H H 9 7.681 7.681 7.582 0.099 25660 2767 1 6 . 1 1 10 10 PHE N N 10 120.908 120.908 121.930 -1.022 25660 2768 1 6 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.338 -0.365 25660 2769 1 6 . 1 1 10 10 PHE C C 10 178.820 178.820 178.173 0.647 25660 2770 1 6 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.963 0.201 25660 2771 1 6 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.515 -0.138 25660 2772 1 6 . 1 1 10 10 PHE H H 10 8.635 8.635 7.772 0.863 25660 2773 1 6 . 1 1 11 11 ILE N N 11 121.053 121.053 118.708 2.345 25660 2774 1 6 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.682 -0.366 25660 2775 1 6 . 1 1 11 11 ILE C C 11 178.867 178.867 177.647 1.220 25660 2776 1 6 . 1 1 11 11 ILE CA C 11 65.622 65.622 65.008 0.614 25660 2777 1 6 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.877 -0.260 25660 2778 1 6 . 1 1 11 11 ILE H H 11 8.834 8.834 8.768 0.066 25660 2779 1 6 . 1 1 12 12 MET N N 12 117.328 117.328 119.157 -1.829 25660 2780 1 6 . 1 1 12 12 MET HA H 12 4.219 4.219 4.260 -0.041 25660 2781 1 6 . 1 1 12 12 MET C C 12 177.972 177.972 177.414 0.558 25660 2782 1 6 . 1 1 12 12 MET CA C 12 58.560 58.560 58.338 0.222 25660 2783 1 6 . 1 1 12 12 MET CB C 12 33.675 33.675 33.461 0.214 25660 2784 1 6 . 1 1 12 12 MET H H 12 8.047 8.047 7.585 0.462 25660 2785 1 6 . 1 1 13 13 LYS N N 13 113.452 113.452 115.607 -2.155 25660 2786 1 6 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.408 0.527 25660 2787 1 6 . 1 1 13 13 LYS C C 13 177.353 177.353 176.983 0.370 25660 2788 1 6 . 1 1 13 13 LYS CA C 13 57.260 57.260 58.120 -0.860 25660 2789 1 6 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.815 0.384 25660 2790 1 6 . 1 1 13 13 LYS H H 13 9.016 9.016 8.231 0.785 25660 2791 1 6 . 1 1 14 14 CYS N N 14 115.390 115.390 117.315 -1.925 25660 2792 1 6 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.377 0.919 25660 2793 1 6 . 1 1 14 14 CYS C C 14 177.723 177.723 175.666 2.057 25660 2794 1 6 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.750 -5.631 25660 2795 1 6 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.907 7.877 25660 2796 1 6 . 1 1 14 14 CYS H H 14 8.130 8.130 8.223 -0.093 25660 2797 1 6 . 1 1 15 15 SER N N 15 114.347 114.347 117.669 -3.322 25660 2798 1 6 . 1 1 15 15 SER HA H 15 3.768 3.768 4.196 -0.428 25660 2799 1 6 . 1 1 15 15 SER C C 15 174.272 174.272 175.945 -1.673 25660 2800 1 6 . 1 1 15 15 SER CA C 15 60.587 60.587 61.024 -0.437 25660 2801 1 6 . 1 1 15 15 SER CB C 15 62.483 62.483 63.219 -0.736 25660 2802 1 6 . 1 1 15 15 SER H H 15 7.297 7.297 8.012 -0.715 25660 2803 1 6 . 1 1 16 16 GLN N N 16 120.608 120.608 118.114 2.494 25660 2804 1 6 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.108 -0.199 25660 2805 1 6 . 1 1 16 16 GLN C C 16 176.559 176.559 177.292 -0.733 25660 2806 1 6 . 1 1 16 16 GLN CA C 16 57.938 57.938 58.190 -0.252 25660 2807 1 6 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.339 -0.439 25660 2808 1 6 . 1 1 16 16 GLN H H 16 8.879 8.879 8.341 0.538 25660 2809 1 6 . 1 1 17 17 CYS N N 17 112.857 112.857 115.421 -2.564 25660 2810 1 6 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.656 -0.572 25660 2811 1 6 . 1 1 17 17 CYS C C 17 171.419 171.419 174.868 -3.449 25660 2812 1 6 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.683 -5.716 25660 2813 1 6 . 1 1 17 17 CYS CB C 17 38.172 38.172 29.323 8.849 25660 2814 1 6 . 1 1 17 17 CYS H H 17 6.805 6.805 8.028 -1.223 25660 2815 1 6 . 1 1 18 18 HIS N N 18 113.603 113.603 118.949 -5.346 25660 2816 1 6 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.631 -2.009 25660 2817 1 6 . 1 1 18 18 HIS CA C 18 53.514 53.514 55.785 -2.271 25660 2818 1 6 . 1 1 18 18 HIS CB C 18 31.916 31.916 32.368 -0.452 25660 2819 1 6 . 1 1 18 18 HIS H H 18 6.223 6.223 8.327 -2.104 25660 2820 1 6 . 1 1 19 19 THR N N 19 109.280 109.280 112.107 -2.827 25660 2821 1 6 . 1 1 19 19 THR HA H 19 4.413 4.413 4.922 -0.509 25660 2822 1 6 . 1 1 19 19 THR C C 19 174.026 174.026 174.303 -0.277 25660 2823 1 6 . 1 1 19 19 THR CA C 19 58.557 58.557 59.883 -1.325 25660 2824 1 6 . 1 1 19 19 THR CB C 19 71.176 71.176 71.213 -0.037 25660 2825 1 6 . 1 1 19 19 THR H H 19 7.636 7.636 8.408 -0.772 25660 2826 1 6 . 1 1 20 20 VAL N N 20 110.620 110.620 112.488 -1.868 25660 2827 1 6 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.808 -1.043 25660 2828 1 6 . 1 1 20 20 VAL C C 20 173.470 173.470 175.402 -1.932 25660 2829 1 6 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.413 0.381 25660 2830 1 6 . 1 1 20 20 VAL CB C 20 33.427 33.427 33.279 0.147 25660 2831 1 6 . 1 1 20 20 VAL H H 20 7.675 7.675 8.332 -0.657 25660 2832 1 6 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.318 -0.184 25660 2833 1 6 . 1 1 21 21 GLU C C 21 177.538 177.538 176.515 1.023 25660 2834 1 6 . 1 1 21 21 GLU CA C 21 56.452 56.452 56.000 0.452 25660 2835 1 6 . 1 1 21 21 GLU CB C 21 29.646 29.646 30.691 -1.044 25660 2836 1 6 . 1 1 22 22 LYS N N 22 126.123 126.123 126.612 -0.489 25660 2837 1 6 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.722 -0.670 25660 2838 1 6 . 1 1 22 22 LYS C C 22 177.538 177.538 177.391 0.147 25660 2839 1 6 . 1 1 22 22 LYS CA C 22 57.749 57.749 57.712 0.036 25660 2840 1 6 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.624 -1.683 25660 2841 1 6 . 1 1 22 22 LYS H H 22 8.717 8.717 8.811 -0.094 25660 2842 1 6 . 1 1 23 23 GLY N N 23 117.177 117.177 108.617 8.560 25660 2843 1 6 . 1 1 23 23 GLY C C 23 174.531 174.531 174.845 -0.314 25660 2844 1 6 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.552 0.354 25660 2845 1 6 . 1 1 23 23 GLY H H 23 9.078 9.078 8.687 0.391 25660 2846 1 6 . 1 1 24 24 GLY N N 24 107.042 107.042 108.302 -1.260 25660 2847 1 6 . 1 1 24 24 GLY C C 24 172.234 172.234 173.438 -1.204 25660 2848 1 6 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.875 -0.729 25660 2849 1 6 . 1 1 24 24 GLY H H 24 7.730 7.730 7.577 0.153 25660 2850 1 6 . 1 1 25 25 LYS N N 25 118.452 118.452 121.515 -3.063 25660 2851 1 6 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.520 -0.687 25660 2852 1 6 . 1 1 25 25 LYS C C 25 178.209 178.209 174.894 3.315 25660 2853 1 6 . 1 1 25 25 LYS CA C 25 55.712 55.712 54.923 0.789 25660 2854 1 6 . 1 1 25 25 LYS CB C 25 32.861 32.861 36.173 -3.312 25660 2855 1 6 . 1 1 25 25 LYS H H 25 8.222 8.222 8.329 -0.107 25660 2856 1 6 . 1 1 26 26 HIS N N 26 122.465 122.465 118.007 4.458 25660 2857 1 6 . 1 1 26 26 HIS HA H 26 4.192 4.192 5.115 -0.923 25660 2858 1 6 . 1 1 26 26 HIS C C 26 175.081 175.081 174.026 1.055 25660 2859 1 6 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.139 0.674 25660 2860 1 6 . 1 1 26 26 HIS CB C 26 30.173 30.173 30.682 -0.509 25660 2861 1 6 . 1 1 26 26 HIS H H 26 8.545 8.545 8.778 -0.233 25660 2862 1 6 . 1 1 27 27 LYS N N 27 126.571 126.571 123.897 2.674 25660 2863 1 6 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.708 -0.338 25660 2864 1 6 . 1 1 27 27 LYS C C 27 175.781 175.781 177.926 -2.145 25660 2865 1 6 . 1 1 27 27 LYS CA C 27 55.066 55.066 54.270 0.796 25660 2866 1 6 . 1 1 27 27 LYS CB C 27 30.731 30.731 35.401 -4.670 25660 2867 1 6 . 1 1 27 27 LYS H H 27 7.439 7.439 8.230 -0.791 25660 2868 1 6 . 1 1 28 28 THR HA H 28 4.017 4.017 3.986 0.031 25660 2869 1 6 . 1 1 28 28 THR C C 28 174.931 174.931 175.491 -0.560 25660 2870 1 6 . 1 1 28 28 THR CA C 28 67.083 67.083 65.529 1.554 25660 2871 1 6 . 1 1 28 28 THR CB C 28 69.766 69.766 68.820 0.946 25660 2872 1 6 . 1 1 29 29 GLY N N 29 106.150 106.150 108.023 -1.873 25660 2873 1 6 . 1 1 29 29 GLY C C 29 169.328 169.328 171.104 -1.776 25660 2874 1 6 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.549 -1.667 25660 2875 1 6 . 1 1 29 29 GLY H H 29 7.548 7.548 7.519 0.029 25660 2876 1 6 . 1 1 30 30 PRO HA H 30 3.590 3.590 3.617 -0.027 25660 2877 1 6 . 1 1 30 30 PRO CA C 30 60.269 60.269 62.253 -1.984 25660 2878 1 6 . 1 1 30 30 PRO CB C 30 31.020 31.020 32.836 -1.816 25660 2879 1 6 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.683 -0.660 25660 2880 1 6 . 1 1 31 31 ASN C C 31 176.303 176.303 175.862 0.441 25660 2881 1 6 . 1 1 31 31 ASN CA C 31 54.344 54.344 53.637 0.707 25660 2882 1 6 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.700 1.085 25660 2883 1 6 . 1 1 31 31 ASN H H 31 10.198 10.198 8.549 1.649 25660 2884 1 6 . 1 1 32 32 LEU N N 32 121.653 121.653 116.041 5.612 25660 2885 1 6 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.889 -0.022 25660 2886 1 6 . 1 1 32 32 LEU C C 32 174.533 174.533 174.844 -0.311 25660 2887 1 6 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.442 -2.155 25660 2888 1 6 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.041 1.478 25660 2889 1 6 . 1 1 32 32 LEU H H 32 7.889 7.889 7.963 -0.074 25660 2890 1 6 . 1 1 33 33 HIS N N 33 119.860 119.860 117.744 2.116 25660 2891 1 6 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.327 -0.620 25660 2892 1 6 . 1 1 33 33 HIS C C 33 176.992 176.992 176.339 0.653 25660 2893 1 6 . 1 1 33 33 HIS CA C 33 60.491 60.491 57.411 3.080 25660 2894 1 6 . 1 1 33 33 HIS CB C 33 28.223 28.223 29.880 -1.657 25660 2895 1 6 . 1 1 33 33 HIS H H 33 7.445 7.445 7.312 0.133 25660 2896 1 6 . 1 1 34 34 GLY N N 34 114.645 114.645 115.523 -0.878 25660 2897 1 6 . 1 1 34 34 GLY C C 34 174.473 174.473 174.941 -0.468 25660 2898 1 6 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.156 0.557 25660 2899 1 6 . 1 1 34 34 GLY H H 34 8.763 8.763 8.439 0.324 25660 2900 1 6 . 1 1 35 35 LEU N N 35 117.774 117.774 121.481 -3.707 25660 2901 1 6 . 1 1 35 35 LEU HA H 35 3.527 3.527 3.983 -0.456 25660 2902 1 6 . 1 1 35 35 LEU C C 35 176.507 176.507 176.553 -0.046 25660 2903 1 6 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.658 -0.199 25660 2904 1 6 . 1 1 35 35 LEU CB C 35 43.808 43.808 41.684 2.124 25660 2905 1 6 . 1 1 35 35 LEU H H 35 7.010 7.010 7.305 -0.295 25660 2906 1 6 . 1 1 36 36 PHE N N 36 113.600 113.600 116.492 -2.892 25660 2907 1 6 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.560 -0.712 25660 2908 1 6 . 1 1 36 36 PHE C C 36 176.553 176.553 176.200 0.353 25660 2909 1 6 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.474 0.229 25660 2910 1 6 . 1 1 36 36 PHE CB C 36 36.223 36.223 37.168 -0.945 25660 2911 1 6 . 1 1 36 36 PHE H H 36 8.694 8.694 8.343 0.351 25660 2912 1 6 . 1 1 37 37 GLY N N 37 112.857 112.857 111.275 1.582 25660 2913 1 6 . 1 1 37 37 GLY C C 37 173.382 173.382 173.640 -0.258 25660 2914 1 6 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.975 -0.520 25660 2915 1 6 . 1 1 37 37 GLY H H 37 8.839 8.839 8.193 0.646 25660 2916 1 6 . 1 1 38 38 ARG N N 38 124.035 124.035 118.947 5.088 25660 2917 1 6 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.659 -0.210 25660 2918 1 6 . 1 1 38 38 ARG C C 38 174.415 174.415 174.742 -0.327 25660 2919 1 6 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.215 1.549 25660 2920 1 6 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.246 0.165 25660 2921 1 6 . 1 1 38 38 ARG H H 38 8.215 8.215 8.095 0.120 25660 2922 1 6 . 1 1 39 39 LYS N N 39 123.290 123.290 119.064 4.226 25660 2923 1 6 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.436 0.411 25660 2924 1 6 . 1 1 39 39 LYS C C 39 172.219 172.219 176.003 -3.784 25660 2925 1 6 . 1 1 39 39 LYS CA C 39 55.199 55.199 55.090 0.109 25660 2926 1 6 . 1 1 39 39 LYS CB C 39 33.682 33.682 36.060 -2.378 25660 2927 1 6 . 1 1 39 39 LYS H H 39 8.147 8.147 8.385 -0.238 25660 2928 1 6 . 1 1 40 40 THR N N 40 113.158 113.158 113.733 -0.575 25660 2929 1 6 . 1 1 40 40 THR HA H 40 4.463 4.463 4.784 -0.321 25660 2930 1 6 . 1 1 40 40 THR C C 40 175.638 175.638 175.594 0.044 25660 2931 1 6 . 1 1 40 40 THR CA C 40 61.920 61.920 60.482 1.438 25660 2932 1 6 . 1 1 40 40 THR CB C 40 68.539 68.539 70.724 -2.184 25660 2933 1 6 . 1 1 40 40 THR H H 40 7.804 7.804 8.142 -0.338 25660 2934 1 6 . 1 1 41 41 GLY N N 41 111.811 111.811 107.701 4.110 25660 2935 1 6 . 1 1 41 41 GLY C C 41 174.720 174.720 174.585 0.135 25660 2936 1 6 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.368 0.041 25660 2937 1 6 . 1 1 41 41 GLY H H 41 9.040 9.040 8.743 0.297 25660 2938 1 6 . 1 1 42 42 GLN N N 42 117.180 117.180 115.638 1.542 25660 2939 1 6 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.446 -0.092 25660 2940 1 6 . 1 1 42 42 GLN C C 42 175.152 175.152 175.143 0.009 25660 2941 1 6 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.127 -0.512 25660 2942 1 6 . 1 1 42 42 GLN CB C 42 28.977 28.977 30.301 -1.324 25660 2943 1 6 . 1 1 42 42 GLN H H 42 8.084 8.084 7.849 0.235 25660 2944 1 6 . 1 1 43 43 ALA N N 43 125.825 125.825 126.358 -0.533 25660 2945 1 6 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.700 -0.164 25660 2946 1 6 . 1 1 43 43 ALA C C 43 175.308 175.308 176.918 -1.610 25660 2947 1 6 . 1 1 43 43 ALA CA C 43 49.991 49.991 50.340 -0.349 25660 2948 1 6 . 1 1 43 43 ALA CB C 43 18.488 18.488 18.674 -0.186 25660 2949 1 6 . 1 1 43 43 ALA H H 43 8.063 8.063 8.077 -0.014 25660 2950 1 6 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.228 0.128 25660 2951 1 6 . 1 1 44 44 PRO C C 44 178.294 178.294 177.622 0.672 25660 2952 1 6 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.529 -1.073 25660 2953 1 6 . 1 1 44 44 PRO CB C 44 31.514 31.514 32.027 -0.513 25660 2954 1 6 . 1 1 45 45 GLY N N 45 112.024 112.024 104.835 7.189 25660 2955 1 6 . 1 1 45 45 GLY C C 45 173.301 173.301 174.116 -0.815 25660 2956 1 6 . 1 1 45 45 GLY CA C 45 45.350 45.350 44.877 0.473 25660 2957 1 6 . 1 1 45 45 GLY H H 45 8.831 8.831 8.119 0.712 25660 2958 1 6 . 1 1 46 46 TYR N N 46 120.307 120.307 120.316 -0.009 25660 2959 1 6 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.801 -0.609 25660 2960 1 6 . 1 1 46 46 TYR C C 46 174.910 174.910 173.933 0.977 25660 2961 1 6 . 1 1 46 46 TYR CA C 46 57.515 57.515 56.442 1.073 25660 2962 1 6 . 1 1 46 46 TYR CB C 46 39.539 39.539 38.043 1.496 25660 2963 1 6 . 1 1 46 46 TYR H H 46 7.661 7.661 7.964 -0.303 25660 2964 1 6 . 1 1 50 50 ALA N N 50 125.381 125.381 122.071 3.310 25660 2965 1 6 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.872 -0.706 25660 2966 1 6 . 1 1 50 50 ALA C C 50 178.430 178.430 178.940 -0.510 25660 2967 1 6 . 1 1 50 50 ALA CA C 50 53.813 53.813 52.057 1.756 25660 2968 1 6 . 1 1 50 50 ALA CB C 50 17.942 17.942 18.849 -0.907 25660 2969 1 6 . 1 1 50 50 ALA H H 50 8.507 8.507 8.445 0.062 25660 2970 1 6 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.941 0.052 25660 2971 1 6 . 1 1 51 51 ALA C C 51 178.634 178.634 179.372 -0.738 25660 2972 1 6 . 1 1 51 51 ALA CA C 51 53.932 53.932 55.124 -1.192 25660 2973 1 6 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.454 -0.205 25660 2974 1 6 . 1 1 52 52 ASN N N 52 117.178 117.178 114.780 2.398 25660 2975 1 6 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.568 -0.239 25660 2976 1 6 . 1 1 52 52 ASN C C 52 176.255 176.255 176.186 0.069 25660 2977 1 6 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.179 0.590 25660 2978 1 6 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.451 0.802 25660 2979 1 6 . 1 1 52 52 ASN H H 52 8.286 8.286 8.769 -0.483 25660 2980 1 6 . 1 1 53 53 LYS N N 53 120.164 120.164 116.360 3.804 25660 2981 1 6 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.463 -0.735 25660 2982 1 6 . 1 1 53 53 LYS C C 53 177.676 177.676 176.306 1.370 25660 2983 1 6 . 1 1 53 53 LYS CA C 53 58.402 58.402 56.385 2.017 25660 2984 1 6 . 1 1 53 53 LYS CB C 53 32.296 32.296 32.833 -0.537 25660 2985 1 6 . 1 1 53 53 LYS H H 53 8.152 8.152 7.886 0.266 25660 2986 1 6 . 1 1 54 54 ASN N N 54 116.286 116.286 118.883 -2.597 25660 2987 1 6 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.731 -0.342 25660 2988 1 6 . 1 1 54 54 ASN C C 54 175.501 175.501 175.445 0.056 25660 2989 1 6 . 1 1 54 54 ASN CA C 54 53.488 53.488 54.101 -0.613 25660 2990 1 6 . 1 1 54 54 ASN CB C 54 38.101 38.101 38.781 -0.680 25660 2991 1 6 . 1 1 54 54 ASN H H 54 8.553 8.553 8.147 0.406 25660 2992 1 6 . 1 1 55 55 LYS N N 55 121.354 121.354 119.275 2.079 25660 2993 1 6 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.306 -0.274 25660 2994 1 6 . 1 1 55 55 LYS C C 55 177.422 177.422 177.004 0.418 25660 2995 1 6 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.150 1.669 25660 2996 1 6 . 1 1 55 55 LYS CB C 55 31.536 31.536 31.279 0.257 25660 2997 1 6 . 1 1 55 55 LYS H H 55 7.634 7.634 7.988 -0.354 25660 2998 1 6 . 1 1 56 56 GLY CA C 56 46.052 46.052 45.989 0.063 25660 2999 1 6 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.256 -0.214 25660 3000 1 6 . 1 1 57 57 ILE C C 57 173.923 173.923 174.013 -0.090 25660 3001 1 6 . 1 1 57 57 ILE CA C 57 58.621 58.621 58.539 0.082 25660 3002 1 6 . 1 1 57 57 ILE CB C 57 38.366 38.366 40.898 -2.532 25660 3003 1 6 . 1 1 58 58 ILE N N 58 121.053 121.053 122.192 -1.139 25660 3004 1 6 . 1 1 58 58 ILE HA H 58 4.082 4.082 4.141 -0.059 25660 3005 1 6 . 1 1 58 58 ILE C C 58 177.495 177.495 174.849 2.646 25660 3006 1 6 . 1 1 58 58 ILE CA C 58 58.867 58.867 59.700 -0.833 25660 3007 1 6 . 1 1 58 58 ILE CB C 58 38.504 38.504 40.188 -1.683 25660 3008 1 6 . 1 1 58 58 ILE H H 58 7.988 7.988 8.137 -0.149 25660 3009 1 6 . 1 1 59 59 TRP N N 59 130.896 130.896 125.667 5.229 25660 3010 1 6 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.523 0.306 25660 3011 1 6 . 1 1 59 59 TRP C C 59 175.793 175.793 175.287 0.506 25660 3012 1 6 . 1 1 59 59 TRP CA C 59 57.229 57.229 57.542 -0.313 25660 3013 1 6 . 1 1 59 59 TRP CB C 59 29.908 29.908 29.602 0.306 25660 3014 1 6 . 1 1 59 59 TRP H H 59 8.931 8.931 8.494 0.437 25660 3015 1 6 . 1 1 60 60 GLY N N 60 111.218 111.218 109.269 1.949 25660 3016 1 6 . 1 1 60 60 GLY C C 60 171.636 171.636 173.481 -1.845 25660 3017 1 6 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.093 -0.879 25660 3018 1 6 . 1 1 60 60 GLY H H 60 7.839 7.839 7.882 -0.043 25660 3019 1 6 . 1 1 61 61 GLU N N 61 120.606 120.606 120.082 0.524 25660 3020 1 6 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.124 -0.266 25660 3021 1 6 . 1 1 61 61 GLU C C 61 177.011 177.011 177.517 -0.506 25660 3022 1 6 . 1 1 61 61 GLU CA C 61 62.088 62.088 59.699 2.389 25660 3023 1 6 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.912 -0.548 25660 3024 1 6 . 1 1 61 61 GLU H H 61 9.619 9.619 8.960 0.659 25660 3025 1 6 . 1 1 62 62 ASP N N 62 114.943 114.943 117.616 -2.673 25660 3026 1 6 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.670 -0.336 25660 3027 1 6 . 1 1 62 62 ASP C C 62 179.228 179.228 177.963 1.265 25660 3028 1 6 . 1 1 62 62 ASP CA C 62 57.208 57.208 56.740 0.467 25660 3029 1 6 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.718 -1.241 25660 3030 1 6 . 1 1 62 62 ASP H H 62 8.396 8.396 8.801 -0.405 25660 3031 1 6 . 1 1 63 63 THR N N 63 112.857 112.857 116.293 -3.436 25660 3032 1 6 . 1 1 63 63 THR HA H 63 4.116 4.116 4.498 -0.382 25660 3033 1 6 . 1 1 63 63 THR C C 63 177.971 177.971 176.762 1.209 25660 3034 1 6 . 1 1 63 63 THR CA C 63 63.601 63.601 65.068 -1.467 25660 3035 1 6 . 1 1 63 63 THR CB C 63 68.918 68.918 68.949 -0.031 25660 3036 1 6 . 1 1 63 63 THR H H 63 8.246 8.246 7.375 0.871 25660 3037 1 6 . 1 1 64 64 LEU N N 64 121.355 121.355 122.797 -1.442 25660 3038 1 6 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.140 0.093 25660 3039 1 6 . 1 1 64 64 LEU C C 64 178.628 178.628 178.490 0.138 25660 3040 1 6 . 1 1 64 64 LEU CA C 64 58.314 58.314 58.596 -0.282 25660 3041 1 6 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.731 0.624 25660 3042 1 6 . 1 1 64 64 LEU H H 64 8.809 8.809 8.886 -0.077 25660 3043 1 6 . 1 1 65 65 MET N N 65 118.519 118.519 117.776 0.743 25660 3044 1 6 . 1 1 65 65 MET HA H 65 3.896 3.896 4.185 -0.289 25660 3045 1 6 . 1 1 65 65 MET C C 65 177.782 177.782 177.867 -0.085 25660 3046 1 6 . 1 1 65 65 MET CA C 65 57.910 57.910 59.015 -1.105 25660 3047 1 6 . 1 1 65 65 MET CB C 65 31.019 31.019 32.543 -1.524 25660 3048 1 6 . 1 1 65 65 MET H H 65 7.934 7.934 7.900 0.034 25660 3049 1 6 . 1 1 66 66 GLU N N 66 117.027 117.027 119.878 -2.851 25660 3050 1 6 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.017 -0.059 25660 3051 1 6 . 1 1 66 66 GLU C C 66 178.928 178.928 178.400 0.528 25660 3052 1 6 . 1 1 66 66 GLU CA C 66 58.103 58.103 59.025 -0.922 25660 3053 1 6 . 1 1 66 66 GLU CB C 66 29.676 29.676 28.877 0.799 25660 3054 1 6 . 1 1 66 66 GLU H H 66 6.795 6.795 7.836 -1.041 25660 3055 1 6 . 1 1 67 67 TYR N N 67 120.608 120.608 122.367 -1.759 25660 3056 1 6 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.479 -0.978 25660 3057 1 6 . 1 1 67 67 TYR C C 67 176.312 176.312 178.004 -1.692 25660 3058 1 6 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.524 -1.613 25660 3059 1 6 . 1 1 67 67 TYR CB C 67 40.118 40.118 39.134 0.984 25660 3060 1 6 . 1 1 67 67 TYR H H 67 8.170 8.170 7.999 0.171 25660 3061 1 6 . 1 1 68 68 LEU N N 68 109.278 109.278 117.773 -8.495 25660 3062 1 6 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.937 -0.951 25660 3063 1 6 . 1 1 68 68 LEU C C 68 176.652 176.652 178.487 -1.835 25660 3064 1 6 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.816 -1.605 25660 3065 1 6 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.357 -0.169 25660 3066 1 6 . 1 1 68 68 LEU H H 68 8.108 8.108 8.840 -0.732 25660 3067 1 6 . 1 1 69 69 GLU N N 69 119.118 119.118 119.833 -0.715 25660 3068 1 6 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.251 -0.391 25660 3069 1 6 . 1 1 69 69 GLU C C 69 176.033 176.033 176.192 -0.159 25660 3070 1 6 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.008 -0.482 25660 3071 1 6 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.441 -0.892 25660 3072 1 6 . 1 1 69 69 GLU H H 69 6.783 6.783 8.020 -1.237 25660 3073 1 6 . 1 1 70 70 ASN N N 70 105.553 105.553 111.994 -6.441 25660 3074 1 6 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.360 -1.229 25660 3075 1 6 . 1 1 70 70 ASN C C 70 172.247 172.247 172.809 -0.562 25660 3076 1 6 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.444 -0.079 25660 3077 1 6 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.041 -1.244 25660 3078 1 6 . 1 1 70 70 ASN H H 70 6.092 6.092 7.783 -1.691 25660 3079 1 6 . 1 1 71 71 PRO HA H 71 3.517 3.517 3.917 -0.400 25660 3080 1 6 . 1 1 71 71 PRO C C 71 176.414 176.414 177.695 -1.281 25660 3081 1 6 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.644 0.028 25660 3082 1 6 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.812 -1.877 25660 3083 1 6 . 1 1 72 72 LYS N N 72 113.454 113.454 115.239 -1.785 25660 3084 1 6 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.391 -0.676 25660 3085 1 6 . 1 1 72 72 LYS C C 72 177.234 177.234 178.149 -0.915 25660 3086 1 6 . 1 1 72 72 LYS CA C 72 57.046 57.046 57.440 -0.394 25660 3087 1 6 . 1 1 72 72 LYS CB C 72 31.565 31.565 31.766 -0.201 25660 3088 1 6 . 1 1 72 72 LYS H H 72 7.457 7.457 8.454 -0.997 25660 3089 1 6 . 1 1 73 73 LYS N N 73 118.522 118.522 121.029 -2.507 25660 3090 1 6 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.121 -0.331 25660 3091 1 6 . 1 1 73 73 LYS C C 73 176.890 176.890 177.727 -0.837 25660 3092 1 6 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.569 -1.162 25660 3093 1 6 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.091 0.808 25660 3094 1 6 . 1 1 73 73 LYS H H 73 6.855 6.855 7.497 -0.642 25660 3095 1 6 . 1 1 74 74 TYR N N 74 118.674 118.674 118.223 0.451 25660 3096 1 6 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.501 -0.270 25660 3097 1 6 . 1 1 74 74 TYR C C 74 175.794 175.794 174.663 1.131 25660 3098 1 6 . 1 1 74 74 TYR CA C 74 60.721 60.721 59.417 1.304 25660 3099 1 6 . 1 1 74 74 TYR CB C 74 39.536 39.536 41.369 -1.833 25660 3100 1 6 . 1 1 74 74 TYR H H 74 7.219 7.219 7.814 -0.595 25660 3101 1 6 . 1 1 75 75 ILE N N 75 114.346 114.346 117.104 -2.758 25660 3102 1 6 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.561 -0.494 25660 3103 1 6 . 1 1 75 75 ILE C C 75 179.773 179.773 173.768 6.005 25660 3104 1 6 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.517 -0.043 25660 3105 1 6 . 1 1 75 75 ILE CB C 75 37.615 37.615 38.745 -1.129 25660 3106 1 6 . 1 1 75 75 ILE H H 75 8.189 8.189 8.584 -0.395 25660 3107 1 6 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.607 -0.130 25660 3108 1 6 . 1 1 76 76 PRO C C 76 178.583 178.583 177.511 1.072 25660 3109 1 6 . 1 1 76 76 PRO CA C 76 64.021 64.021 64.155 -0.134 25660 3110 1 6 . 1 1 76 76 PRO CB C 76 31.137 31.137 31.860 -0.723 25660 3111 1 6 . 1 1 77 77 GLY N N 77 108.831 108.831 106.780 2.051 25660 3112 1 6 . 1 1 77 77 GLY C C 77 174.866 174.866 174.610 0.256 25660 3113 1 6 . 1 1 77 77 GLY CA C 77 44.314 44.314 44.215 0.098 25660 3114 1 6 . 1 1 77 77 GLY H H 77 8.563 8.563 8.086 0.477 25660 3115 1 6 . 1 1 78 78 THR N N 78 115.541 115.541 116.995 -1.454 25660 3116 1 6 . 1 1 78 78 THR HA H 78 4.226 4.226 4.452 -0.226 25660 3117 1 6 . 1 1 78 78 THR C C 78 173.114 173.114 175.264 -2.150 25660 3118 1 6 . 1 1 78 78 THR CA C 78 61.759 61.759 63.548 -1.789 25660 3119 1 6 . 1 1 78 78 THR CB C 78 67.910 67.910 69.441 -1.531 25660 3120 1 6 . 1 1 78 78 THR H H 78 7.922 7.922 7.869 0.053 25660 3121 1 6 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.369 0.012 25660 3122 1 6 . 1 1 79 79 LYS C C 79 175.845 175.845 176.798 -0.953 25660 3123 1 6 . 1 1 79 79 LYS CA C 79 55.526 55.526 55.574 -0.048 25660 3124 1 6 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.252 0.051 25660 3125 1 6 . 1 1 80 80 MET N N 80 123.515 123.515 121.872 1.643 25660 3126 1 6 . 1 1 80 80 MET HA H 80 2.934 2.934 4.337 -1.403 25660 3127 1 6 . 1 1 80 80 MET C C 80 171.833 171.833 175.330 -3.497 25660 3128 1 6 . 1 1 80 80 MET CA C 80 55.863 55.863 56.011 -0.148 25660 3129 1 6 . 1 1 80 80 MET CB C 80 27.552 27.552 31.991 -4.439 25660 3130 1 6 . 1 1 80 80 MET H H 80 7.384 7.384 7.714 -0.330 25660 3131 1 6 . 1 1 81 81 ILE N N 81 130.146 130.146 128.571 1.575 25660 3132 1 6 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.162 -0.677 25660 3133 1 6 . 1 1 81 81 ILE C C 81 173.220 173.220 175.398 -2.178 25660 3134 1 6 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.751 -1.466 25660 3135 1 6 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.276 -0.664 25660 3136 1 6 . 1 1 81 81 ILE H H 81 7.856 7.856 8.380 -0.524 25660 3137 1 6 . 1 1 82 82 PHE N N 82 123.143 123.143 128.322 -5.179 25660 3138 1 6 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.816 -0.489 25660 3139 1 6 . 1 1 82 82 PHE C C 82 174.333 174.333 173.778 0.555 25660 3140 1 6 . 1 1 82 82 PHE CA C 82 56.578 56.578 56.898 -0.320 25660 3141 1 6 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.860 -2.216 25660 3142 1 6 . 1 1 82 82 PHE H H 82 6.529 6.529 7.902 -1.373 25660 3143 1 6 . 1 1 83 83 VAL N N 83 125.079 125.079 125.400 -0.321 25660 3144 1 6 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.846 -0.560 25660 3145 1 6 . 1 1 83 83 VAL C C 83 174.444 174.444 175.663 -1.219 25660 3146 1 6 . 1 1 83 83 VAL CA C 83 64.273 64.273 62.841 1.432 25660 3147 1 6 . 1 1 83 83 VAL CB C 83 31.352 31.352 31.781 -0.429 25660 3148 1 6 . 1 1 83 83 VAL H H 83 7.739 7.739 7.947 -0.208 25660 3149 1 6 . 1 1 84 84 GLY C C 84 172.113 172.113 172.874 -0.761 25660 3150 1 6 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.337 -1.501 25660 3151 1 6 . 1 1 85 85 ILE N N 85 120.758 120.758 121.531 -0.773 25660 3152 1 6 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.413 -0.277 25660 3153 1 6 . 1 1 85 85 ILE C C 85 175.103 175.103 175.640 -0.537 25660 3154 1 6 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.374 -0.984 25660 3155 1 6 . 1 1 85 85 ILE CB C 85 39.528 39.528 38.687 0.841 25660 3156 1 6 . 1 1 85 85 ILE H H 85 8.327 8.327 8.550 -0.223 25660 3157 1 6 . 1 1 86 86 LYS N N 86 127.466 127.466 125.834 1.632 25660 3158 1 6 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.088 -0.116 25660 3159 1 6 . 1 1 86 86 LYS C C 86 178.442 178.442 176.952 1.490 25660 3160 1 6 . 1 1 86 86 LYS CA C 86 58.619 58.619 58.113 0.506 25660 3161 1 6 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.686 -0.343 25660 3162 1 6 . 1 1 86 86 LYS H H 86 8.518 8.518 8.574 -0.056 25660 3163 1 6 . 1 1 87 87 LYS N N 87 120.309 120.309 119.667 0.642 25660 3164 1 6 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.236 0.011 25660 3165 1 6 . 1 1 87 87 LYS C C 87 177.569 177.569 177.571 -0.002 25660 3166 1 6 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.958 0.907 25660 3167 1 6 . 1 1 87 87 LYS CB C 87 32.531 32.531 33.069 -0.538 25660 3168 1 6 . 1 1 87 87 LYS H H 87 8.368 8.368 8.091 0.277 25660 3169 1 6 . 1 1 88 88 LYS N N 88 129.999 129.999 123.790 6.209 25660 3170 1 6 . 1 1 88 88 LYS HA H 88 3.562 3.562 4.110 -0.548 25660 3171 1 6 . 1 1 88 88 LYS C C 88 177.664 177.664 178.332 -0.668 25660 3172 1 6 . 1 1 88 88 LYS CA C 88 60.314 60.314 59.800 0.514 25660 3173 1 6 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.738 -0.655 25660 3174 1 6 . 1 1 88 88 LYS H H 88 9.151 9.151 8.886 0.265 25660 3175 1 6 . 1 1 89 89 GLU N N 89 117.925 117.925 119.111 -1.186 25660 3176 1 6 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.001 -0.102 25660 3177 1 6 . 1 1 89 89 GLU C C 89 177.911 177.911 178.378 -0.467 25660 3178 1 6 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.375 0.385 25660 3179 1 6 . 1 1 89 89 GLU CB C 89 28.814 28.814 28.556 0.258 25660 3180 1 6 . 1 1 89 89 GLU H H 89 9.462 9.462 8.874 0.588 25660 3181 1 6 . 1 1 90 90 GLU N N 90 116.437 116.437 119.696 -3.259 25660 3182 1 6 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.081 0.117 25660 3183 1 6 . 1 1 90 90 GLU C C 90 178.730 178.730 179.332 -0.602 25660 3184 1 6 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.664 -1.387 25660 3185 1 6 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.232 0.758 25660 3186 1 6 . 1 1 90 90 GLU H H 90 6.347 6.347 8.793 -2.446 25660 3187 1 6 . 1 1 91 91 ARG N N 91 117.405 117.405 118.992 -1.587 25660 3188 1 6 . 1 1 91 91 ARG HA H 91 3.740 3.740 4.008 -0.268 25660 3189 1 6 . 1 1 91 91 ARG C C 91 177.430 177.430 178.482 -1.052 25660 3190 1 6 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.672 1.510 25660 3191 1 6 . 1 1 91 91 ARG CB C 91 31.106 31.106 30.091 1.014 25660 3192 1 6 . 1 1 91 91 ARG H H 91 7.423 7.423 7.662 -0.239 25660 3193 1 6 . 1 1 92 92 ALA N N 92 120.161 120.161 122.460 -2.299 25660 3194 1 6 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.082 -0.112 25660 3195 1 6 . 1 1 92 92 ALA C C 92 181.044 181.044 179.293 1.751 25660 3196 1 6 . 1 1 92 92 ALA CA C 92 55.281 55.281 55.173 0.108 25660 3197 1 6 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.358 -0.819 25660 3198 1 6 . 1 1 92 92 ALA H H 92 8.668 8.668 8.139 0.529 25660 3199 1 6 . 1 1 93 93 ASP N N 93 122.101 122.101 120.191 1.910 25660 3200 1 6 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.460 -0.252 25660 3201 1 6 . 1 1 93 93 ASP C C 93 177.634 177.634 178.540 -0.906 25660 3202 1 6 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.684 0.463 25660 3203 1 6 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.755 -1.203 25660 3204 1 6 . 1 1 93 93 ASP H H 93 8.153 8.153 8.206 -0.053 25660 3205 1 6 . 1 1 94 94 LEU N N 94 121.208 121.208 122.254 -1.046 25660 3206 1 6 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.129 0.076 25660 3207 1 6 . 1 1 94 94 LEU C C 94 178.395 178.395 178.870 -0.475 25660 3208 1 6 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.037 0.258 25660 3209 1 6 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.215 -0.504 25660 3210 1 6 . 1 1 94 94 LEU H H 94 8.183 8.183 8.184 -0.002 25660 3211 1 6 . 1 1 95 95 ILE N N 95 120.159 120.159 118.597 1.562 25660 3212 1 6 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.661 -0.052 25660 3213 1 6 . 1 1 95 95 ILE C C 95 176.351 176.351 177.654 -1.303 25660 3214 1 6 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.588 0.634 25660 3215 1 6 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.690 -0.022 25660 3216 1 6 . 1 1 95 95 ILE H H 95 8.974 8.974 8.456 0.518 25660 3217 1 6 . 1 1 96 96 ALA N N 96 123.001 123.001 122.381 0.620 25660 3218 1 6 . 1 1 96 96 ALA HA H 96 4.026 4.026 4.025 0.001 25660 3219 1 6 . 1 1 96 96 ALA C C 96 180.700 180.700 179.543 1.157 25660 3220 1 6 . 1 1 96 96 ALA CA C 96 54.933 54.933 55.047 -0.114 25660 3221 1 6 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.007 -1.037 25660 3222 1 6 . 1 1 96 96 ALA H H 96 7.974 7.974 7.566 0.408 25660 3223 1 6 . 1 1 97 97 TYR N N 97 118.224 118.224 120.203 -1.979 25660 3224 1 6 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.143 0.054 25660 3225 1 6 . 1 1 97 97 TYR C C 97 176.278 176.278 177.441 -1.163 25660 3226 1 6 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.569 1.887 25660 3227 1 6 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.268 -1.325 25660 3228 1 6 . 1 1 97 97 TYR H H 97 8.089 8.089 8.046 0.043 25660 3229 1 6 . 1 1 98 98 LEU N N 98 119.118 119.118 118.579 0.539 25660 3230 1 6 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.390 -0.056 25660 3231 1 6 . 1 1 98 98 LEU C C 98 179.188 179.188 179.264 -0.076 25660 3232 1 6 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.869 -0.219 25660 3233 1 6 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.386 0.259 25660 3234 1 6 . 1 1 98 98 LEU H H 98 8.982 8.982 8.480 0.502 25660 3235 1 6 . 1 1 99 99 LYS N N 99 123.889 123.889 118.249 5.640 25660 3236 1 6 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.687 -1.137 25660 3237 1 6 . 1 1 99 99 LYS C C 99 176.653 176.653 178.843 -2.190 25660 3238 1 6 . 1 1 99 99 LYS CA C 99 59.190 59.190 59.542 -0.352 25660 3239 1 6 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.903 -0.034 25660 3240 1 6 . 1 1 99 99 LYS H H 99 8.945 8.945 8.276 0.669 25660 3241 1 6 . 1 1 100 100 LYS N N 100 116.726 116.726 118.696 -1.970 25660 3242 1 6 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.146 -0.170 25660 3243 1 6 . 1 1 100 100 LYS C C 100 178.363 178.363 177.553 0.810 25660 3244 1 6 . 1 1 100 100 LYS CA C 100 57.655 57.655 57.841 -0.186 25660 3245 1 6 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.603 0.572 25660 3246 1 6 . 1 1 100 100 LYS H H 100 6.724 6.724 7.524 -0.800 25660 3247 1 6 . 1 1 101 101 ALA N N 101 119.416 119.416 117.344 2.072 25660 3248 1 6 . 1 1 101 101 ALA HA H 101 3.795 3.795 5.034 -1.239 25660 3249 1 6 . 1 1 101 101 ALA C C 101 179.576 179.576 177.018 2.558 25660 3250 1 6 . 1 1 101 101 ALA CA C 101 54.401 54.401 52.549 1.852 25660 3251 1 6 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.669 -1.316 25660 3252 1 6 . 1 1 101 101 ALA H H 101 8.539 8.539 7.710 0.829 25660 3253 1 6 . 1 1 102 102 THR N N 102 101.974 101.974 106.374 -4.400 25660 3254 1 6 . 1 1 102 102 THR HA H 102 4.157 4.157 3.613 0.544 25660 3255 1 6 . 1 1 102 102 THR C C 102 172.872 172.872 174.753 -1.881 25660 3256 1 6 . 1 1 102 102 THR CA C 102 61.954 61.954 61.526 0.428 25660 3257 1 6 . 1 1 102 102 THR CB C 102 69.403 69.403 70.043 -0.640 25660 3258 1 6 . 1 1 102 102 THR H H 102 7.810 7.810 7.972 -0.162 25660 3259 1 6 . 1 1 103 103 ASN N N 103 118.372 118.372 118.804 -0.432 25660 3260 1 6 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.743 0.024 25660 3261 1 6 . 1 1 103 103 ASN C C 103 173.663 173.663 175.056 -1.393 25660 3262 1 6 . 1 1 103 103 ASN CA C 103 52.469 52.469 52.617 -0.148 25660 3263 1 6 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.106 3.270 25660 3264 1 6 . 1 1 103 103 ASN H H 103 6.968 6.968 7.866 -0.898 25660 3265 1 7 . 1 1 2 2 ASP N N 2 124.691 124.691 122.784 1.907 25660 3266 1 7 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.922 -0.147 25660 3267 1 7 . 1 1 2 2 ASP C C 2 175.662 175.662 175.523 0.139 25660 3268 1 7 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.685 0.087 25660 3269 1 7 . 1 1 2 2 ASP CB C 2 42.313 42.313 42.877 -0.564 25660 3270 1 7 . 1 1 2 2 ASP H H 2 9.541 9.541 8.769 0.772 25660 3271 1 7 . 1 1 3 3 VAL N N 3 123.739 123.739 118.786 4.953 25660 3272 1 7 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.929 -0.379 25660 3273 1 7 . 1 1 3 3 VAL C C 3 177.302 177.302 177.470 -0.168 25660 3274 1 7 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.429 0.517 25660 3275 1 7 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.008 -0.043 25660 3276 1 7 . 1 1 3 3 VAL H H 3 8.569 8.569 8.376 0.193 25660 3277 1 7 . 1 1 4 4 GLU N N 4 120.310 120.310 119.747 0.563 25660 3278 1 7 . 1 1 4 4 GLU HA H 4 4.008 4.008 3.996 0.012 25660 3279 1 7 . 1 1 4 4 GLU C C 4 180.515 180.515 179.110 1.405 25660 3280 1 7 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.445 -0.482 25660 3281 1 7 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.382 -0.903 25660 3282 1 7 . 1 1 4 4 GLU H H 4 8.083 8.083 7.880 0.203 25660 3283 1 7 . 1 1 5 5 LYS N N 5 121.058 121.058 118.692 2.366 25660 3284 1 7 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.104 -0.205 25660 3285 1 7 . 1 1 5 5 LYS C C 5 180.515 180.515 179.156 1.359 25660 3286 1 7 . 1 1 5 5 LYS CA C 5 59.459 59.459 58.181 1.278 25660 3287 1 7 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.105 0.349 25660 3288 1 7 . 1 1 5 5 LYS H H 5 8.096 8.096 7.582 0.514 25660 3289 1 7 . 1 1 6 6 GLY N N 6 107.193 107.193 107.385 -0.192 25660 3290 1 7 . 1 1 6 6 GLY C C 6 174.012 174.012 176.098 -2.086 25660 3291 1 7 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.948 -0.469 25660 3292 1 7 . 1 1 6 6 GLY H H 6 8.709 8.709 8.220 0.489 25660 3293 1 7 . 1 1 7 7 LYS N N 7 124.124 124.124 120.778 3.346 25660 3294 1 7 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.389 -1.229 25660 3295 1 7 . 1 1 7 7 LYS C C 7 177.457 177.457 178.921 -1.464 25660 3296 1 7 . 1 1 7 7 LYS CA C 7 59.052 59.052 58.552 0.500 25660 3297 1 7 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.262 0.842 25660 3298 1 7 . 1 1 7 7 LYS H H 7 8.039 8.039 8.251 -0.212 25660 3299 1 7 . 1 1 8 8 LYS N N 8 116.732 116.732 118.405 -1.673 25660 3300 1 7 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.119 -0.304 25660 3301 1 7 . 1 1 8 8 LYS C C 8 179.228 179.228 179.041 0.187 25660 3302 1 7 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.614 0.708 25660 3303 1 7 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.724 0.091 25660 3304 1 7 . 1 1 8 8 LYS H H 8 6.958 6.958 7.616 -0.658 25660 3305 1 7 . 1 1 9 9 ILE N N 9 119.269 119.269 119.569 -0.300 25660 3306 1 7 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.934 -0.215 25660 3307 1 7 . 1 1 9 9 ILE C C 9 177.006 177.006 178.151 -1.145 25660 3308 1 7 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.744 2.361 25660 3309 1 7 . 1 1 9 9 ILE CB C 9 37.562 37.562 36.844 0.718 25660 3310 1 7 . 1 1 9 9 ILE H H 9 7.681 7.681 7.304 0.377 25660 3311 1 7 . 1 1 10 10 PHE N N 10 120.908 120.908 121.495 -0.587 25660 3312 1 7 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.365 -0.392 25660 3313 1 7 . 1 1 10 10 PHE C C 10 178.820 178.820 178.067 0.753 25660 3314 1 7 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.598 0.566 25660 3315 1 7 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.591 -0.214 25660 3316 1 7 . 1 1 10 10 PHE H H 10 8.635 8.635 7.726 0.909 25660 3317 1 7 . 1 1 11 11 ILE N N 11 121.053 121.053 119.210 1.843 25660 3318 1 7 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.759 -0.443 25660 3319 1 7 . 1 1 11 11 ILE C C 11 178.867 178.867 177.694 1.173 25660 3320 1 7 . 1 1 11 11 ILE CA C 11 65.622 65.622 65.039 0.583 25660 3321 1 7 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.996 -0.379 25660 3322 1 7 . 1 1 11 11 ILE H H 11 8.834 8.834 8.491 0.343 25660 3323 1 7 . 1 1 12 12 MET N N 12 117.328 117.328 117.967 -0.639 25660 3324 1 7 . 1 1 12 12 MET HA H 12 4.219 4.219 4.222 -0.003 25660 3325 1 7 . 1 1 12 12 MET C C 12 177.972 177.972 177.453 0.519 25660 3326 1 7 . 1 1 12 12 MET CA C 12 58.560 58.560 58.263 0.297 25660 3327 1 7 . 1 1 12 12 MET CB C 12 33.675 33.675 33.344 0.331 25660 3328 1 7 . 1 1 12 12 MET H H 12 8.047 8.047 7.965 0.082 25660 3329 1 7 . 1 1 13 13 LYS N N 13 113.452 113.452 114.638 -1.186 25660 3330 1 7 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.484 0.451 25660 3331 1 7 . 1 1 13 13 LYS C C 13 177.353 177.353 177.034 0.319 25660 3332 1 7 . 1 1 13 13 LYS CA C 13 57.260 57.260 56.885 0.375 25660 3333 1 7 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.476 0.723 25660 3334 1 7 . 1 1 13 13 LYS H H 13 9.016 9.016 7.801 1.215 25660 3335 1 7 . 1 1 14 14 CYS N N 14 115.390 115.390 117.893 -2.503 25660 3336 1 7 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.497 0.799 25660 3337 1 7 . 1 1 14 14 CYS C C 14 177.723 177.723 175.612 2.111 25660 3338 1 7 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.729 -5.610 25660 3339 1 7 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.843 7.941 25660 3340 1 7 . 1 1 14 14 CYS H H 14 8.130 8.130 8.509 -0.379 25660 3341 1 7 . 1 1 15 15 SER N N 15 114.347 114.347 118.101 -3.754 25660 3342 1 7 . 1 1 15 15 SER HA H 15 3.768 3.768 4.137 -0.369 25660 3343 1 7 . 1 1 15 15 SER C C 15 174.272 174.272 176.271 -1.999 25660 3344 1 7 . 1 1 15 15 SER CA C 15 60.587 60.587 61.572 -0.985 25660 3345 1 7 . 1 1 15 15 SER CB C 15 62.483 62.483 63.263 -0.780 25660 3346 1 7 . 1 1 15 15 SER H H 15 7.297 7.297 8.118 -0.821 25660 3347 1 7 . 1 1 16 16 GLN N N 16 120.608 120.608 118.530 2.078 25660 3348 1 7 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.087 -0.178 25660 3349 1 7 . 1 1 16 16 GLN C C 16 176.559 176.559 177.162 -0.603 25660 3350 1 7 . 1 1 16 16 GLN CA C 16 57.938 57.938 58.350 -0.412 25660 3351 1 7 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.148 -0.248 25660 3352 1 7 . 1 1 16 16 GLN H H 16 8.879 8.879 8.603 0.276 25660 3353 1 7 . 1 1 17 17 CYS N N 17 112.857 112.857 115.648 -2.791 25660 3354 1 7 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.728 -0.644 25660 3355 1 7 . 1 1 17 17 CYS C C 17 171.419 171.419 175.170 -3.751 25660 3356 1 7 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.718 -5.751 25660 3357 1 7 . 1 1 17 17 CYS CB C 17 38.172 38.172 29.520 8.652 25660 3358 1 7 . 1 1 17 17 CYS H H 17 6.805 6.805 7.942 -1.137 25660 3359 1 7 . 1 1 18 18 HIS N N 18 113.603 113.603 119.560 -5.957 25660 3360 1 7 . 1 1 18 18 HIS HA H 18 3.622 3.622 4.890 -1.268 25660 3361 1 7 . 1 1 18 18 HIS CA C 18 53.514 53.514 57.285 -3.771 25660 3362 1 7 . 1 1 18 18 HIS CB C 18 31.916 31.916 30.836 1.080 25660 3363 1 7 . 1 1 18 18 HIS H H 18 6.223 6.223 8.223 -2.000 25660 3364 1 7 . 1 1 19 19 THR N N 19 109.280 109.280 110.658 -1.378 25660 3365 1 7 . 1 1 19 19 THR HA H 19 4.413 4.413 4.899 -0.486 25660 3366 1 7 . 1 1 19 19 THR C C 19 174.026 174.026 174.217 -0.191 25660 3367 1 7 . 1 1 19 19 THR CA C 19 58.557 58.557 60.449 -1.892 25660 3368 1 7 . 1 1 19 19 THR CB C 19 71.176 71.176 70.906 0.270 25660 3369 1 7 . 1 1 19 19 THR H H 19 7.636 7.636 8.476 -0.840 25660 3370 1 7 . 1 1 20 20 VAL N N 20 110.620 110.620 113.619 -2.999 25660 3371 1 7 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.833 -1.068 25660 3372 1 7 . 1 1 20 20 VAL C C 20 173.470 173.470 174.319 -0.849 25660 3373 1 7 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.206 0.588 25660 3374 1 7 . 1 1 20 20 VAL CB C 20 33.427 33.427 32.004 1.423 25660 3375 1 7 . 1 1 20 20 VAL H H 20 7.675 7.675 8.427 -0.752 25660 3376 1 7 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.558 -0.424 25660 3377 1 7 . 1 1 21 21 GLU C C 21 177.538 177.538 176.261 1.277 25660 3378 1 7 . 1 1 21 21 GLU CA C 21 56.452 56.452 54.510 1.942 25660 3379 1 7 . 1 1 21 21 GLU CB C 21 29.646 29.646 32.656 -3.010 25660 3380 1 7 . 1 1 22 22 LYS N N 22 126.123 126.123 125.919 0.204 25660 3381 1 7 . 1 1 22 22 LYS HA H 22 3.052 3.052 4.138 -1.086 25660 3382 1 7 . 1 1 22 22 LYS C C 22 177.538 177.538 177.588 -0.050 25660 3383 1 7 . 1 1 22 22 LYS CA C 22 57.749 57.749 58.371 -0.622 25660 3384 1 7 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.216 -1.275 25660 3385 1 7 . 1 1 22 22 LYS H H 22 8.717 8.717 8.777 -0.060 25660 3386 1 7 . 1 1 23 23 GLY N N 23 117.177 117.177 111.633 5.544 25660 3387 1 7 . 1 1 23 23 GLY C C 23 174.531 174.531 174.451 0.080 25660 3388 1 7 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.502 0.404 25660 3389 1 7 . 1 1 23 23 GLY H H 23 9.078 9.078 8.801 0.277 25660 3390 1 7 . 1 1 24 24 GLY N N 24 107.042 107.042 108.950 -1.908 25660 3391 1 7 . 1 1 24 24 GLY C C 24 172.234 172.234 174.264 -2.030 25660 3392 1 7 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.907 -0.761 25660 3393 1 7 . 1 1 24 24 GLY H H 24 7.730 7.730 7.731 -0.002 25660 3394 1 7 . 1 1 25 25 LYS N N 25 118.452 118.452 123.611 -5.159 25660 3395 1 7 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.276 -0.443 25660 3396 1 7 . 1 1 25 25 LYS C C 25 178.209 178.209 175.549 2.660 25660 3397 1 7 . 1 1 25 25 LYS CA C 25 55.712 55.712 54.782 0.930 25660 3398 1 7 . 1 1 25 25 LYS CB C 25 32.861 32.861 34.038 -1.177 25660 3399 1 7 . 1 1 25 25 LYS H H 25 8.222 8.222 8.093 0.129 25660 3400 1 7 . 1 1 26 26 HIS N N 26 122.465 122.465 116.512 5.953 25660 3401 1 7 . 1 1 26 26 HIS HA H 26 4.192 4.192 5.259 -1.067 25660 3402 1 7 . 1 1 26 26 HIS C C 26 175.081 175.081 174.541 0.540 25660 3403 1 7 . 1 1 26 26 HIS CA C 26 55.813 55.813 54.706 1.107 25660 3404 1 7 . 1 1 26 26 HIS CB C 26 30.173 30.173 30.888 -0.715 25660 3405 1 7 . 1 1 26 26 HIS H H 26 8.545 8.545 8.088 0.457 25660 3406 1 7 . 1 1 27 27 LYS N N 27 126.571 126.571 123.799 2.772 25660 3407 1 7 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.903 -0.533 25660 3408 1 7 . 1 1 27 27 LYS C C 27 175.781 175.781 177.403 -1.622 25660 3409 1 7 . 1 1 27 27 LYS CA C 27 55.066 55.066 54.973 0.093 25660 3410 1 7 . 1 1 27 27 LYS CB C 27 30.731 30.731 34.138 -3.407 25660 3411 1 7 . 1 1 27 27 LYS H H 27 7.439 7.439 8.120 -0.681 25660 3412 1 7 . 1 1 28 28 THR HA H 28 4.017 4.017 4.033 -0.016 25660 3413 1 7 . 1 1 28 28 THR C C 28 174.931 174.931 175.442 -0.511 25660 3414 1 7 . 1 1 28 28 THR CA C 28 67.083 67.083 65.859 1.224 25660 3415 1 7 . 1 1 28 28 THR CB C 28 69.766 69.766 68.877 0.889 25660 3416 1 7 . 1 1 29 29 GLY N N 29 106.150 106.150 107.761 -1.611 25660 3417 1 7 . 1 1 29 29 GLY C C 29 169.328 169.328 171.458 -2.130 25660 3418 1 7 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.640 -1.758 25660 3419 1 7 . 1 1 29 29 GLY H H 29 7.548 7.548 7.666 -0.118 25660 3420 1 7 . 1 1 30 30 PRO HA H 30 3.590 3.590 3.426 0.164 25660 3421 1 7 . 1 1 30 30 PRO CA C 30 60.269 60.269 61.533 -1.264 25660 3422 1 7 . 1 1 30 30 PRO CB C 30 31.020 31.020 32.812 -1.792 25660 3423 1 7 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.488 -0.465 25660 3424 1 7 . 1 1 31 31 ASN C C 31 176.303 176.303 176.665 -0.362 25660 3425 1 7 . 1 1 31 31 ASN CA C 31 54.344 54.344 54.127 0.217 25660 3426 1 7 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.320 1.465 25660 3427 1 7 . 1 1 31 31 ASN H H 31 10.198 10.198 8.556 1.642 25660 3428 1 7 . 1 1 32 32 LEU N N 32 121.653 121.653 115.693 5.960 25660 3429 1 7 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.900 -0.033 25660 3430 1 7 . 1 1 32 32 LEU C C 32 174.533 174.533 174.959 -0.426 25660 3431 1 7 . 1 1 32 32 LEU CA C 32 53.287 53.287 56.005 -2.718 25660 3432 1 7 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.109 1.411 25660 3433 1 7 . 1 1 32 32 LEU H H 32 7.889 7.889 7.929 -0.040 25660 3434 1 7 . 1 1 33 33 HIS N N 33 119.860 119.860 116.959 2.901 25660 3435 1 7 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.277 -0.570 25660 3436 1 7 . 1 1 33 33 HIS C C 33 176.992 176.992 176.038 0.954 25660 3437 1 7 . 1 1 33 33 HIS CA C 33 60.491 60.491 56.838 3.653 25660 3438 1 7 . 1 1 33 33 HIS CB C 33 28.223 28.223 29.625 -1.402 25660 3439 1 7 . 1 1 33 33 HIS H H 33 7.445 7.445 7.747 -0.302 25660 3440 1 7 . 1 1 34 34 GLY N N 34 114.645 114.645 112.888 1.757 25660 3441 1 7 . 1 1 34 34 GLY C C 34 174.473 174.473 174.752 -0.279 25660 3442 1 7 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.418 0.295 25660 3443 1 7 . 1 1 34 34 GLY H H 34 8.763 8.763 8.859 -0.096 25660 3444 1 7 . 1 1 35 35 LEU N N 35 117.774 117.774 121.530 -3.756 25660 3445 1 7 . 1 1 35 35 LEU HA H 35 3.527 3.527 3.993 -0.466 25660 3446 1 7 . 1 1 35 35 LEU C C 35 176.507 176.507 177.022 -0.515 25660 3447 1 7 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.624 -0.165 25660 3448 1 7 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.173 1.635 25660 3449 1 7 . 1 1 35 35 LEU H H 35 7.010 7.010 7.482 -0.472 25660 3450 1 7 . 1 1 36 36 PHE N N 36 113.600 113.600 116.211 -2.611 25660 3451 1 7 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.670 -0.822 25660 3452 1 7 . 1 1 36 36 PHE C C 36 176.553 176.553 176.309 0.244 25660 3453 1 7 . 1 1 36 36 PHE CA C 36 59.702 59.702 58.855 0.848 25660 3454 1 7 . 1 1 36 36 PHE CB C 36 36.223 36.223 37.144 -0.921 25660 3455 1 7 . 1 1 36 36 PHE H H 36 8.694 8.694 8.363 0.331 25660 3456 1 7 . 1 1 37 37 GLY N N 37 112.857 112.857 109.490 3.367 25660 3457 1 7 . 1 1 37 37 GLY C C 37 173.382 173.382 173.353 0.029 25660 3458 1 7 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.782 -0.327 25660 3459 1 7 . 1 1 37 37 GLY H H 37 8.839 8.839 8.499 0.340 25660 3460 1 7 . 1 1 38 38 ARG N N 38 124.035 124.035 121.248 2.787 25660 3461 1 7 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.648 -0.199 25660 3462 1 7 . 1 1 38 38 ARG C C 38 174.415 174.415 175.949 -1.534 25660 3463 1 7 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.960 0.804 25660 3464 1 7 . 1 1 38 38 ARG CB C 38 32.411 32.411 31.422 0.989 25660 3465 1 7 . 1 1 38 38 ARG H H 38 8.215 8.215 7.908 0.307 25660 3466 1 7 . 1 1 39 39 LYS N N 39 123.290 123.290 122.922 0.368 25660 3467 1 7 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.120 0.727 25660 3468 1 7 . 1 1 39 39 LYS C C 39 172.219 172.219 176.634 -4.415 25660 3469 1 7 . 1 1 39 39 LYS CA C 39 55.199 55.199 56.354 -1.155 25660 3470 1 7 . 1 1 39 39 LYS CB C 39 33.682 33.682 32.767 0.914 25660 3471 1 7 . 1 1 39 39 LYS H H 39 8.147 8.147 8.619 -0.472 25660 3472 1 7 . 1 1 40 40 THR N N 40 113.158 113.158 117.691 -4.533 25660 3473 1 7 . 1 1 40 40 THR HA H 40 4.463 4.463 4.307 0.156 25660 3474 1 7 . 1 1 40 40 THR C C 40 175.638 175.638 175.039 0.599 25660 3475 1 7 . 1 1 40 40 THR CA C 40 61.920 61.920 63.879 -1.959 25660 3476 1 7 . 1 1 40 40 THR CB C 40 68.539 68.539 69.438 -0.899 25660 3477 1 7 . 1 1 40 40 THR H H 40 7.804 7.804 8.528 -0.724 25660 3478 1 7 . 1 1 41 41 GLY N N 41 111.811 111.811 114.106 -2.295 25660 3479 1 7 . 1 1 41 41 GLY C C 41 174.720 174.720 173.745 0.975 25660 3480 1 7 . 1 1 41 41 GLY CA C 41 46.409 46.409 45.317 1.092 25660 3481 1 7 . 1 1 41 41 GLY H H 41 9.040 9.040 8.619 0.421 25660 3482 1 7 . 1 1 42 42 GLN N N 42 117.180 117.180 120.306 -3.126 25660 3483 1 7 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.678 -0.324 25660 3484 1 7 . 1 1 42 42 GLN C C 42 175.152 175.152 175.166 -0.014 25660 3485 1 7 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.098 -0.483 25660 3486 1 7 . 1 1 42 42 GLN CB C 42 28.977 28.977 29.389 -0.412 25660 3487 1 7 . 1 1 42 42 GLN H H 42 8.084 8.084 7.876 0.208 25660 3488 1 7 . 1 1 43 43 ALA N N 43 125.825 125.825 127.572 -1.747 25660 3489 1 7 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.909 -0.373 25660 3490 1 7 . 1 1 43 43 ALA C C 43 175.308 175.308 174.510 0.798 25660 3491 1 7 . 1 1 43 43 ALA CA C 43 49.991 49.991 49.891 0.100 25660 3492 1 7 . 1 1 43 43 ALA CB C 43 18.488 18.488 20.546 -2.058 25660 3493 1 7 . 1 1 43 43 ALA H H 43 8.063 8.063 8.214 -0.151 25660 3494 1 7 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.319 0.037 25660 3495 1 7 . 1 1 44 44 PRO C C 44 178.294 178.294 177.453 0.841 25660 3496 1 7 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.204 -0.748 25660 3497 1 7 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.600 -0.086 25660 3498 1 7 . 1 1 45 45 GLY N N 45 112.024 112.024 110.891 1.133 25660 3499 1 7 . 1 1 45 45 GLY C C 45 173.301 173.301 174.105 -0.804 25660 3500 1 7 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.436 -0.086 25660 3501 1 7 . 1 1 45 45 GLY H H 45 8.831 8.831 8.797 0.034 25660 3502 1 7 . 1 1 46 46 TYR N N 46 120.307 120.307 116.859 3.448 25660 3503 1 7 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.625 -0.433 25660 3504 1 7 . 1 1 46 46 TYR C C 46 174.910 174.910 175.699 -0.789 25660 3505 1 7 . 1 1 46 46 TYR CA C 46 57.515 57.515 57.810 -0.295 25660 3506 1 7 . 1 1 46 46 TYR CB C 46 39.539 39.539 40.012 -0.473 25660 3507 1 7 . 1 1 46 46 TYR H H 46 7.661 7.661 8.076 -0.415 25660 3508 1 7 . 1 1 50 50 ALA N N 50 125.381 125.381 125.895 -0.514 25660 3509 1 7 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.334 -0.168 25660 3510 1 7 . 1 1 50 50 ALA C C 50 178.430 178.430 178.345 0.085 25660 3511 1 7 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.959 -0.146 25660 3512 1 7 . 1 1 50 50 ALA CB C 50 17.942 17.942 18.925 -0.983 25660 3513 1 7 . 1 1 50 50 ALA H H 50 8.507 8.507 8.502 0.005 25660 3514 1 7 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.885 0.108 25660 3515 1 7 . 1 1 51 51 ALA C C 51 178.634 178.634 179.592 -0.958 25660 3516 1 7 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.953 -1.022 25660 3517 1 7 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.154 0.095 25660 3518 1 7 . 1 1 52 52 ASN N N 52 117.178 117.178 116.144 1.034 25660 3519 1 7 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.388 -0.059 25660 3520 1 7 . 1 1 52 52 ASN C C 52 176.255 176.255 177.510 -1.255 25660 3521 1 7 . 1 1 52 52 ASN CA C 52 55.769 55.769 56.931 -1.162 25660 3522 1 7 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.083 1.170 25660 3523 1 7 . 1 1 52 52 ASN H H 52 8.286 8.286 8.608 -0.322 25660 3524 1 7 . 1 1 53 53 LYS N N 53 120.164 120.164 119.028 1.136 25660 3525 1 7 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.022 -0.294 25660 3526 1 7 . 1 1 53 53 LYS C C 53 177.676 177.676 178.224 -0.548 25660 3527 1 7 . 1 1 53 53 LYS CA C 53 58.402 58.402 59.037 -0.635 25660 3528 1 7 . 1 1 53 53 LYS CB C 53 32.296 32.296 32.245 0.051 25660 3529 1 7 . 1 1 53 53 LYS H H 53 8.152 8.152 8.107 0.045 25660 3530 1 7 . 1 1 54 54 ASN N N 54 116.286 116.286 115.828 0.458 25660 3531 1 7 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.721 -0.332 25660 3532 1 7 . 1 1 54 54 ASN C C 54 175.501 175.501 176.313 -0.812 25660 3533 1 7 . 1 1 54 54 ASN CA C 54 53.488 53.488 55.487 -1.999 25660 3534 1 7 . 1 1 54 54 ASN CB C 54 38.101 38.101 40.038 -1.937 25660 3535 1 7 . 1 1 54 54 ASN H H 54 8.553 8.553 7.802 0.751 25660 3536 1 7 . 1 1 55 55 LYS N N 55 121.354 121.354 118.278 3.076 25660 3537 1 7 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.658 -0.626 25660 3538 1 7 . 1 1 55 55 LYS C C 55 177.422 177.422 175.181 2.241 25660 3539 1 7 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.379 1.439 25660 3540 1 7 . 1 1 55 55 LYS CB C 55 31.536 31.536 33.340 -1.804 25660 3541 1 7 . 1 1 55 55 LYS H H 55 7.634 7.634 8.362 -0.728 25660 3542 1 7 . 1 1 56 56 GLY CA C 56 46.052 46.052 43.977 2.075 25660 3543 1 7 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.237 -0.195 25660 3544 1 7 . 1 1 57 57 ILE C C 57 173.923 173.923 174.017 -0.094 25660 3545 1 7 . 1 1 57 57 ILE CA C 57 58.621 58.621 58.935 -0.314 25660 3546 1 7 . 1 1 57 57 ILE CB C 57 38.366 38.366 40.028 -1.662 25660 3547 1 7 . 1 1 58 58 ILE N N 58 121.053 121.053 124.875 -3.822 25660 3548 1 7 . 1 1 58 58 ILE HA H 58 4.082 4.082 3.816 0.266 25660 3549 1 7 . 1 1 58 58 ILE C C 58 177.495 177.495 175.744 1.751 25660 3550 1 7 . 1 1 58 58 ILE CA C 58 58.867 58.867 60.399 -1.532 25660 3551 1 7 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.856 -0.352 25660 3552 1 7 . 1 1 58 58 ILE H H 58 7.988 7.988 8.129 -0.141 25660 3553 1 7 . 1 1 59 59 TRP N N 59 130.896 130.896 129.333 1.563 25660 3554 1 7 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.627 0.202 25660 3555 1 7 . 1 1 59 59 TRP C C 59 175.793 175.793 175.980 -0.187 25660 3556 1 7 . 1 1 59 59 TRP CA C 59 57.229 57.229 56.278 0.951 25660 3557 1 7 . 1 1 59 59 TRP CB C 59 29.908 29.908 30.007 -0.099 25660 3558 1 7 . 1 1 59 59 TRP H H 59 8.931 8.931 8.562 0.369 25660 3559 1 7 . 1 1 60 60 GLY N N 60 111.218 111.218 110.487 0.731 25660 3560 1 7 . 1 1 60 60 GLY C C 60 171.636 171.636 173.426 -1.790 25660 3561 1 7 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.548 -1.334 25660 3562 1 7 . 1 1 60 60 GLY H H 60 7.839 7.839 8.662 -0.823 25660 3563 1 7 . 1 1 61 61 GLU N N 61 120.606 120.606 118.776 1.830 25660 3564 1 7 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.063 -0.205 25660 3565 1 7 . 1 1 61 61 GLU C C 61 177.011 177.011 178.056 -1.045 25660 3566 1 7 . 1 1 61 61 GLU CA C 61 62.088 62.088 59.906 2.182 25660 3567 1 7 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.877 -0.513 25660 3568 1 7 . 1 1 61 61 GLU H H 61 9.619 9.619 8.870 0.749 25660 3569 1 7 . 1 1 62 62 ASP N N 62 114.943 114.943 115.138 -0.195 25660 3570 1 7 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.774 -0.440 25660 3571 1 7 . 1 1 62 62 ASP C C 62 179.228 179.228 177.606 1.622 25660 3572 1 7 . 1 1 62 62 ASP CA C 62 57.208 57.208 56.021 1.187 25660 3573 1 7 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.647 -1.170 25660 3574 1 7 . 1 1 62 62 ASP H H 62 8.396 8.396 8.441 -0.045 25660 3575 1 7 . 1 1 63 63 THR N N 63 112.857 112.857 114.632 -1.775 25660 3576 1 7 . 1 1 63 63 THR HA H 63 4.116 4.116 4.231 -0.115 25660 3577 1 7 . 1 1 63 63 THR C C 63 177.971 177.971 176.587 1.384 25660 3578 1 7 . 1 1 63 63 THR CA C 63 63.601 63.601 65.056 -1.455 25660 3579 1 7 . 1 1 63 63 THR CB C 63 68.918 68.918 68.962 -0.044 25660 3580 1 7 . 1 1 63 63 THR H H 63 8.246 8.246 7.513 0.733 25660 3581 1 7 . 1 1 64 64 LEU N N 64 121.355 121.355 122.378 -1.023 25660 3582 1 7 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.238 -0.005 25660 3583 1 7 . 1 1 64 64 LEU C C 64 178.628 178.628 178.930 -0.302 25660 3584 1 7 . 1 1 64 64 LEU CA C 64 58.314 58.314 57.788 0.526 25660 3585 1 7 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.619 0.736 25660 3586 1 7 . 1 1 64 64 LEU H H 64 8.809 8.809 8.412 0.397 25660 3587 1 7 . 1 1 65 65 MET N N 65 118.519 118.519 119.187 -0.668 25660 3588 1 7 . 1 1 65 65 MET HA H 65 3.896 3.896 4.187 -0.291 25660 3589 1 7 . 1 1 65 65 MET C C 65 177.782 177.782 177.200 0.582 25660 3590 1 7 . 1 1 65 65 MET CA C 65 57.910 57.910 58.655 -0.745 25660 3591 1 7 . 1 1 65 65 MET CB C 65 31.019 31.019 32.463 -1.444 25660 3592 1 7 . 1 1 65 65 MET H H 65 7.934 7.934 8.036 -0.102 25660 3593 1 7 . 1 1 66 66 GLU N N 66 117.027 117.027 118.932 -1.905 25660 3594 1 7 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.101 -0.143 25660 3595 1 7 . 1 1 66 66 GLU C C 66 178.928 178.928 179.251 -0.323 25660 3596 1 7 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.688 -0.585 25660 3597 1 7 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.349 0.327 25660 3598 1 7 . 1 1 66 66 GLU H H 66 6.795 6.795 7.855 -1.060 25660 3599 1 7 . 1 1 67 67 TYR N N 67 120.608 120.608 122.130 -1.522 25660 3600 1 7 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.392 -0.891 25660 3601 1 7 . 1 1 67 67 TYR C C 67 176.312 176.312 177.583 -1.271 25660 3602 1 7 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.506 -1.595 25660 3603 1 7 . 1 1 67 67 TYR CB C 67 40.118 40.118 39.353 0.765 25660 3604 1 7 . 1 1 67 67 TYR H H 67 8.170 8.170 8.004 0.166 25660 3605 1 7 . 1 1 68 68 LEU N N 68 109.278 109.278 119.357 -10.079 25660 3606 1 7 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.903 -0.917 25660 3607 1 7 . 1 1 68 68 LEU C C 68 176.652 176.652 178.954 -2.302 25660 3608 1 7 . 1 1 68 68 LEU CA C 68 55.211 55.211 57.287 -2.076 25660 3609 1 7 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.587 -0.399 25660 3610 1 7 . 1 1 68 68 LEU H H 68 8.108 8.108 8.238 -0.130 25660 3611 1 7 . 1 1 69 69 GLU N N 69 119.118 119.118 119.943 -0.825 25660 3612 1 7 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.322 -0.462 25660 3613 1 7 . 1 1 69 69 GLU C C 69 176.033 176.033 175.858 0.175 25660 3614 1 7 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.050 -0.524 25660 3615 1 7 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.556 -1.008 25660 3616 1 7 . 1 1 69 69 GLU H H 69 6.783 6.783 8.258 -1.475 25660 3617 1 7 . 1 1 70 70 ASN N N 70 105.553 105.553 112.136 -6.583 25660 3618 1 7 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.133 -1.002 25660 3619 1 7 . 1 1 70 70 ASN C C 70 172.247 172.247 173.200 -0.953 25660 3620 1 7 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.243 0.122 25660 3621 1 7 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.612 -1.815 25660 3622 1 7 . 1 1 70 70 ASN H H 70 6.092 6.092 7.757 -1.665 25660 3623 1 7 . 1 1 71 71 PRO HA H 71 3.517 3.517 3.882 -0.365 25660 3624 1 7 . 1 1 71 71 PRO C C 71 176.414 176.414 177.524 -1.110 25660 3625 1 7 . 1 1 71 71 PRO CA C 71 65.672 65.672 64.800 0.872 25660 3626 1 7 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.717 -1.782 25660 3627 1 7 . 1 1 72 72 LYS N N 72 113.454 113.454 117.079 -3.625 25660 3628 1 7 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.281 -0.566 25660 3629 1 7 . 1 1 72 72 LYS C C 72 177.234 177.234 177.747 -0.513 25660 3630 1 7 . 1 1 72 72 LYS CA C 72 57.046 57.046 57.323 -0.277 25660 3631 1 7 . 1 1 72 72 LYS CB C 72 31.565 31.565 30.821 0.744 25660 3632 1 7 . 1 1 72 72 LYS H H 72 7.457 7.457 8.187 -0.730 25660 3633 1 7 . 1 1 73 73 LYS N N 73 118.522 118.522 118.855 -0.333 25660 3634 1 7 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.152 -0.362 25660 3635 1 7 . 1 1 73 73 LYS C C 73 176.890 176.890 177.381 -0.491 25660 3636 1 7 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.391 -0.984 25660 3637 1 7 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.740 0.158 25660 3638 1 7 . 1 1 73 73 LYS H H 73 6.855 6.855 7.690 -0.835 25660 3639 1 7 . 1 1 74 74 TYR N N 74 118.674 118.674 115.951 2.723 25660 3640 1 7 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.663 -0.432 25660 3641 1 7 . 1 1 74 74 TYR C C 74 175.794 175.794 175.591 0.203 25660 3642 1 7 . 1 1 74 74 TYR CA C 74 60.721 60.721 58.825 1.897 25660 3643 1 7 . 1 1 74 74 TYR CB C 74 39.536 39.536 42.058 -2.522 25660 3644 1 7 . 1 1 74 74 TYR H H 74 7.219 7.219 7.647 -0.428 25660 3645 1 7 . 1 1 75 75 ILE N N 75 114.346 114.346 119.707 -5.361 25660 3646 1 7 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.732 -0.665 25660 3647 1 7 . 1 1 75 75 ILE C C 75 179.773 179.773 174.144 5.629 25660 3648 1 7 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.928 -0.454 25660 3649 1 7 . 1 1 75 75 ILE CB C 75 37.615 37.615 38.554 -0.939 25660 3650 1 7 . 1 1 75 75 ILE H H 75 8.189 8.189 8.180 0.009 25660 3651 1 7 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.391 0.086 25660 3652 1 7 . 1 1 76 76 PRO C C 76 178.583 178.583 177.559 1.024 25660 3653 1 7 . 1 1 76 76 PRO CA C 76 64.021 64.021 64.349 -0.328 25660 3654 1 7 . 1 1 76 76 PRO CB C 76 31.137 31.137 31.863 -0.726 25660 3655 1 7 . 1 1 77 77 GLY N N 77 108.831 108.831 106.840 1.991 25660 3656 1 7 . 1 1 77 77 GLY C C 77 174.866 174.866 174.607 0.259 25660 3657 1 7 . 1 1 77 77 GLY CA C 77 44.314 44.314 44.452 -0.138 25660 3658 1 7 . 1 1 77 77 GLY H H 77 8.563 8.563 8.369 0.194 25660 3659 1 7 . 1 1 78 78 THR N N 78 115.541 115.541 115.431 0.110 25660 3660 1 7 . 1 1 78 78 THR HA H 78 4.226 4.226 4.615 -0.389 25660 3661 1 7 . 1 1 78 78 THR C C 78 173.114 173.114 175.039 -1.925 25660 3662 1 7 . 1 1 78 78 THR CA C 78 61.759 61.759 62.288 -0.529 25660 3663 1 7 . 1 1 78 78 THR CB C 78 67.910 67.910 70.064 -2.154 25660 3664 1 7 . 1 1 78 78 THR H H 78 7.922 7.922 7.551 0.371 25660 3665 1 7 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.347 0.034 25660 3666 1 7 . 1 1 79 79 LYS C C 79 175.845 175.845 176.395 -0.550 25660 3667 1 7 . 1 1 79 79 LYS CA C 79 55.526 55.526 56.280 -0.754 25660 3668 1 7 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.650 -0.347 25660 3669 1 7 . 1 1 80 80 MET N N 80 123.515 123.515 121.736 1.779 25660 3670 1 7 . 1 1 80 80 MET HA H 80 2.934 2.934 4.370 -1.436 25660 3671 1 7 . 1 1 80 80 MET C C 80 171.833 171.833 175.403 -3.570 25660 3672 1 7 . 1 1 80 80 MET CA C 80 55.863 55.863 56.152 -0.289 25660 3673 1 7 . 1 1 80 80 MET CB C 80 27.552 27.552 32.983 -5.431 25660 3674 1 7 . 1 1 80 80 MET H H 80 7.384 7.384 7.669 -0.285 25660 3675 1 7 . 1 1 81 81 ILE N N 81 130.146 130.146 129.076 1.070 25660 3676 1 7 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.345 -0.860 25660 3677 1 7 . 1 1 81 81 ILE C C 81 173.220 173.220 175.239 -2.019 25660 3678 1 7 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.421 -1.136 25660 3679 1 7 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.619 -1.007 25660 3680 1 7 . 1 1 81 81 ILE H H 81 7.856 7.856 8.690 -0.834 25660 3681 1 7 . 1 1 82 82 PHE N N 82 123.143 123.143 128.054 -4.911 25660 3682 1 7 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.740 -0.413 25660 3683 1 7 . 1 1 82 82 PHE C C 82 174.333 174.333 174.968 -0.635 25660 3684 1 7 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.349 -0.771 25660 3685 1 7 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.001 -1.357 25660 3686 1 7 . 1 1 82 82 PHE H H 82 6.529 6.529 8.041 -1.512 25660 3687 1 7 . 1 1 83 83 VAL N N 83 125.079 125.079 123.893 1.186 25660 3688 1 7 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.925 -0.639 25660 3689 1 7 . 1 1 83 83 VAL C C 83 174.444 174.444 175.999 -1.555 25660 3690 1 7 . 1 1 83 83 VAL CA C 83 64.273 64.273 63.355 0.918 25660 3691 1 7 . 1 1 83 83 VAL CB C 83 31.352 31.352 31.746 -0.394 25660 3692 1 7 . 1 1 83 83 VAL H H 83 7.739 7.739 7.986 -0.247 25660 3693 1 7 . 1 1 84 84 GLY C C 84 172.113 172.113 173.203 -1.090 25660 3694 1 7 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.239 -1.403 25660 3695 1 7 . 1 1 85 85 ILE N N 85 120.758 120.758 120.810 -0.052 25660 3696 1 7 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.266 -0.130 25660 3697 1 7 . 1 1 85 85 ILE C C 85 175.103 175.103 177.136 -2.033 25660 3698 1 7 . 1 1 85 85 ILE CA C 85 59.390 59.390 61.268 -1.878 25660 3699 1 7 . 1 1 85 85 ILE CB C 85 39.528 39.528 39.225 0.303 25660 3700 1 7 . 1 1 85 85 ILE H H 85 8.327 8.327 8.623 -0.296 25660 3701 1 7 . 1 1 86 86 LYS N N 86 127.466 127.466 125.228 2.238 25660 3702 1 7 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.304 -0.332 25660 3703 1 7 . 1 1 86 86 LYS C C 86 178.442 178.442 175.951 2.491 25660 3704 1 7 . 1 1 86 86 LYS CA C 86 58.619 58.619 56.974 1.645 25660 3705 1 7 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.465 -0.122 25660 3706 1 7 . 1 1 86 86 LYS H H 86 8.518 8.518 8.715 -0.197 25660 3707 1 7 . 1 1 87 87 LYS N N 87 120.309 120.309 118.807 1.502 25660 3708 1 7 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.617 -0.370 25660 3709 1 7 . 1 1 87 87 LYS C C 87 177.569 177.569 176.063 1.506 25660 3710 1 7 . 1 1 87 87 LYS CA C 87 56.865 56.865 54.899 1.966 25660 3711 1 7 . 1 1 87 87 LYS CB C 87 32.531 32.531 33.014 -0.483 25660 3712 1 7 . 1 1 87 87 LYS H H 87 8.368 8.368 7.941 0.427 25660 3713 1 7 . 1 1 88 88 LYS N N 88 129.999 129.999 126.314 3.685 25660 3714 1 7 . 1 1 88 88 LYS HA H 88 3.562 3.562 3.886 -0.324 25660 3715 1 7 . 1 1 88 88 LYS C C 88 177.664 177.664 178.823 -1.159 25660 3716 1 7 . 1 1 88 88 LYS CA C 88 60.314 60.314 59.941 0.373 25660 3717 1 7 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.406 -0.323 25660 3718 1 7 . 1 1 88 88 LYS H H 88 9.151 9.151 9.033 0.118 25660 3719 1 7 . 1 1 89 89 GLU N N 89 117.925 117.925 117.789 0.136 25660 3720 1 7 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.070 -0.171 25660 3721 1 7 . 1 1 89 89 GLU C C 89 177.911 177.911 178.831 -0.920 25660 3722 1 7 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.032 0.728 25660 3723 1 7 . 1 1 89 89 GLU CB C 89 28.814 28.814 28.860 -0.046 25660 3724 1 7 . 1 1 89 89 GLU H H 89 9.462 9.462 8.881 0.581 25660 3725 1 7 . 1 1 90 90 GLU N N 90 116.437 116.437 119.721 -3.284 25660 3726 1 7 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.194 0.004 25660 3727 1 7 . 1 1 90 90 GLU C C 90 178.730 178.730 178.322 0.408 25660 3728 1 7 . 1 1 90 90 GLU CA C 90 58.277 58.277 58.396 -0.119 25660 3729 1 7 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.539 0.451 25660 3730 1 7 . 1 1 90 90 GLU H H 90 6.347 6.347 7.773 -1.426 25660 3731 1 7 . 1 1 91 91 ARG N N 91 117.405 117.405 117.821 -0.416 25660 3732 1 7 . 1 1 91 91 ARG HA H 91 3.740 3.740 4.057 -0.317 25660 3733 1 7 . 1 1 91 91 ARG C C 91 177.430 177.430 177.885 -0.455 25660 3734 1 7 . 1 1 91 91 ARG CA C 91 61.182 61.182 58.056 3.126 25660 3735 1 7 . 1 1 91 91 ARG CB C 91 31.106 31.106 29.511 1.595 25660 3736 1 7 . 1 1 91 91 ARG H H 91 7.423 7.423 7.927 -0.504 25660 3737 1 7 . 1 1 92 92 ALA N N 92 120.161 120.161 120.947 -0.786 25660 3738 1 7 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.206 -0.236 25660 3739 1 7 . 1 1 92 92 ALA C C 92 181.044 181.044 179.123 1.921 25660 3740 1 7 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.685 0.596 25660 3741 1 7 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.460 -0.921 25660 3742 1 7 . 1 1 92 92 ALA H H 92 8.668 8.668 7.632 1.036 25660 3743 1 7 . 1 1 93 93 ASP N N 93 122.101 122.101 119.475 2.626 25660 3744 1 7 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.645 -0.437 25660 3745 1 7 . 1 1 93 93 ASP C C 93 177.634 177.634 178.177 -0.543 25660 3746 1 7 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.083 1.064 25660 3747 1 7 . 1 1 93 93 ASP CB C 93 39.552 39.552 41.321 -1.769 25660 3748 1 7 . 1 1 93 93 ASP H H 93 8.153 8.153 7.647 0.506 25660 3749 1 7 . 1 1 94 94 LEU N N 94 121.208 121.208 123.086 -1.878 25660 3750 1 7 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.094 0.111 25660 3751 1 7 . 1 1 94 94 LEU C C 94 178.395 178.395 178.890 -0.495 25660 3752 1 7 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.185 0.110 25660 3753 1 7 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.244 -0.533 25660 3754 1 7 . 1 1 94 94 LEU H H 94 8.183 8.183 7.811 0.372 25660 3755 1 7 . 1 1 95 95 ILE N N 95 120.159 120.159 117.672 2.487 25660 3756 1 7 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.684 -0.075 25660 3757 1 7 . 1 1 95 95 ILE C C 95 176.351 176.351 177.424 -1.073 25660 3758 1 7 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.418 0.804 25660 3759 1 7 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.530 0.138 25660 3760 1 7 . 1 1 95 95 ILE H H 95 8.974 8.974 8.670 0.304 25660 3761 1 7 . 1 1 96 96 ALA N N 96 123.001 123.001 122.260 0.741 25660 3762 1 7 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.940 0.086 25660 3763 1 7 . 1 1 96 96 ALA C C 96 180.700 180.700 179.339 1.361 25660 3764 1 7 . 1 1 96 96 ALA CA C 96 54.933 54.933 54.791 0.142 25660 3765 1 7 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.201 -1.231 25660 3766 1 7 . 1 1 96 96 ALA H H 96 7.974 7.974 7.698 0.276 25660 3767 1 7 . 1 1 97 97 TYR N N 97 118.224 118.224 120.082 -1.858 25660 3768 1 7 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.120 0.077 25660 3769 1 7 . 1 1 97 97 TYR C C 97 176.278 176.278 177.257 -0.979 25660 3770 1 7 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.553 1.903 25660 3771 1 7 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.289 -1.346 25660 3772 1 7 . 1 1 97 97 TYR H H 97 8.089 8.089 8.127 -0.038 25660 3773 1 7 . 1 1 98 98 LEU N N 98 119.118 119.118 118.973 0.145 25660 3774 1 7 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.374 -0.040 25660 3775 1 7 . 1 1 98 98 LEU C C 98 179.188 179.188 179.132 0.056 25660 3776 1 7 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.693 -0.043 25660 3777 1 7 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.223 0.422 25660 3778 1 7 . 1 1 98 98 LEU H H 98 8.982 8.982 8.442 0.540 25660 3779 1 7 . 1 1 99 99 LYS N N 99 123.889 123.889 118.650 5.239 25660 3780 1 7 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.754 -1.205 25660 3781 1 7 . 1 1 99 99 LYS C C 99 176.653 176.653 177.800 -1.147 25660 3782 1 7 . 1 1 99 99 LYS CA C 99 59.190 59.190 58.281 0.909 25660 3783 1 7 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.843 0.025 25660 3784 1 7 . 1 1 99 99 LYS H H 99 8.945 8.945 8.218 0.727 25660 3785 1 7 . 1 1 100 100 LYS N N 100 116.726 116.726 118.361 -1.635 25660 3786 1 7 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.167 -0.191 25660 3787 1 7 . 1 1 100 100 LYS C C 100 178.363 178.363 177.614 0.749 25660 3788 1 7 . 1 1 100 100 LYS CA C 100 57.655 57.655 57.629 0.026 25660 3789 1 7 . 1 1 100 100 LYS CB C 100 33.175 33.175 33.002 0.173 25660 3790 1 7 . 1 1 100 100 LYS H H 100 6.724 6.724 7.481 -0.757 25660 3791 1 7 . 1 1 101 101 ALA N N 101 119.416 119.416 120.607 -1.191 25660 3792 1 7 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.560 -0.765 25660 3793 1 7 . 1 1 101 101 ALA C C 101 179.576 179.576 179.030 0.546 25660 3794 1 7 . 1 1 101 101 ALA CA C 101 54.401 54.401 54.419 -0.017 25660 3795 1 7 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.561 -1.208 25660 3796 1 7 . 1 1 101 101 ALA H H 101 8.539 8.539 8.054 0.485 25660 3797 1 7 . 1 1 102 102 THR N N 102 101.974 101.974 110.829 -8.855 25660 3798 1 7 . 1 1 102 102 THR HA H 102 4.157 4.157 3.486 0.671 25660 3799 1 7 . 1 1 102 102 THR C C 102 172.872 172.872 175.201 -2.329 25660 3800 1 7 . 1 1 102 102 THR CA C 102 61.954 61.954 63.748 -1.794 25660 3801 1 7 . 1 1 102 102 THR CB C 102 69.403 69.403 68.278 1.125 25660 3802 1 7 . 1 1 102 102 THR H H 102 7.810 7.810 8.066 -0.256 25660 3803 1 7 . 1 1 103 103 ASN N N 103 118.372 118.372 118.630 -0.258 25660 3804 1 7 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.748 0.019 25660 3805 1 7 . 1 1 103 103 ASN C C 103 173.663 173.663 175.197 -1.534 25660 3806 1 7 . 1 1 103 103 ASN CA C 103 52.469 52.469 53.686 -1.217 25660 3807 1 7 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.453 2.923 25660 3808 1 7 . 1 1 103 103 ASN H H 103 6.968 6.968 8.184 -1.216 25660 3809 1 8 . 1 1 2 2 ASP N N 2 124.691 124.691 122.876 1.815 25660 3810 1 8 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.922 -0.147 25660 3811 1 8 . 1 1 2 2 ASP C C 2 175.662 175.662 175.746 -0.084 25660 3812 1 8 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.188 0.584 25660 3813 1 8 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.343 -1.030 25660 3814 1 8 . 1 1 2 2 ASP H H 2 9.541 9.541 8.700 0.841 25660 3815 1 8 . 1 1 3 3 VAL N N 3 123.739 123.739 118.733 5.006 25660 3816 1 8 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.879 -0.329 25660 3817 1 8 . 1 1 3 3 VAL C C 3 177.302 177.302 177.315 -0.013 25660 3818 1 8 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.428 0.518 25660 3819 1 8 . 1 1 3 3 VAL CB C 3 31.965 31.965 31.881 0.084 25660 3820 1 8 . 1 1 3 3 VAL H H 3 8.569 8.569 8.387 0.182 25660 3821 1 8 . 1 1 4 4 GLU N N 4 120.310 120.310 119.229 1.081 25660 3822 1 8 . 1 1 4 4 GLU HA H 4 4.008 4.008 4.104 -0.096 25660 3823 1 8 . 1 1 4 4 GLU C C 4 180.515 180.515 179.103 1.412 25660 3824 1 8 . 1 1 4 4 GLU CA C 4 58.963 58.963 58.948 0.015 25660 3825 1 8 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.532 -1.053 25660 3826 1 8 . 1 1 4 4 GLU H H 4 8.083 8.083 8.356 -0.273 25660 3827 1 8 . 1 1 5 5 LYS N N 5 121.058 121.058 118.770 2.288 25660 3828 1 8 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.089 -0.190 25660 3829 1 8 . 1 1 5 5 LYS C C 5 180.515 180.515 178.811 1.704 25660 3830 1 8 . 1 1 5 5 LYS CA C 5 59.459 59.459 58.142 1.317 25660 3831 1 8 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.004 0.450 25660 3832 1 8 . 1 1 5 5 LYS H H 5 8.096 8.096 7.844 0.252 25660 3833 1 8 . 1 1 6 6 GLY N N 6 107.193 107.193 106.870 0.323 25660 3834 1 8 . 1 1 6 6 GLY C C 6 174.012 174.012 175.717 -1.705 25660 3835 1 8 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.269 0.210 25660 3836 1 8 . 1 1 6 6 GLY H H 6 8.709 8.709 7.941 0.768 25660 3837 1 8 . 1 1 7 7 LYS N N 7 124.124 124.124 121.551 2.573 25660 3838 1 8 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.010 -0.850 25660 3839 1 8 . 1 1 7 7 LYS C C 7 177.457 177.457 178.551 -1.094 25660 3840 1 8 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.693 -0.641 25660 3841 1 8 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.884 0.221 25660 3842 1 8 . 1 1 7 7 LYS H H 7 8.039 8.039 8.133 -0.095 25660 3843 1 8 . 1 1 8 8 LYS N N 8 116.732 116.732 117.759 -1.027 25660 3844 1 8 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.074 -0.259 25660 3845 1 8 . 1 1 8 8 LYS C C 8 179.228 179.228 179.153 0.075 25660 3846 1 8 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.645 0.677 25660 3847 1 8 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.996 -0.181 25660 3848 1 8 . 1 1 8 8 LYS H H 8 6.958 6.958 7.736 -0.778 25660 3849 1 8 . 1 1 9 9 ILE N N 9 119.269 119.269 119.953 -0.684 25660 3850 1 8 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.951 -0.232 25660 3851 1 8 . 1 1 9 9 ILE C C 9 177.006 177.006 177.961 -0.955 25660 3852 1 8 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.287 2.818 25660 3853 1 8 . 1 1 9 9 ILE CB C 9 37.562 37.562 37.074 0.488 25660 3854 1 8 . 1 1 9 9 ILE H H 9 7.681 7.681 7.522 0.159 25660 3855 1 8 . 1 1 10 10 PHE N N 10 120.908 120.908 121.489 -0.581 25660 3856 1 8 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.308 -0.335 25660 3857 1 8 . 1 1 10 10 PHE C C 10 178.820 178.820 178.057 0.763 25660 3858 1 8 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.951 0.213 25660 3859 1 8 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.418 -0.041 25660 3860 1 8 . 1 1 10 10 PHE H H 10 8.635 8.635 7.640 0.995 25660 3861 1 8 . 1 1 11 11 ILE N N 11 121.053 121.053 118.711 2.342 25660 3862 1 8 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.752 -0.436 25660 3863 1 8 . 1 1 11 11 ILE C C 11 178.867 178.867 177.598 1.269 25660 3864 1 8 . 1 1 11 11 ILE CA C 11 65.622 65.622 65.161 0.461 25660 3865 1 8 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.965 -0.348 25660 3866 1 8 . 1 1 11 11 ILE H H 11 8.834 8.834 8.358 0.476 25660 3867 1 8 . 1 1 12 12 MET N N 12 117.328 117.328 117.625 -0.297 25660 3868 1 8 . 1 1 12 12 MET HA H 12 4.219 4.219 4.218 0.001 25660 3869 1 8 . 1 1 12 12 MET C C 12 177.972 177.972 177.391 0.581 25660 3870 1 8 . 1 1 12 12 MET CA C 12 58.560 58.560 58.089 0.471 25660 3871 1 8 . 1 1 12 12 MET CB C 12 33.675 33.675 33.268 0.407 25660 3872 1 8 . 1 1 12 12 MET H H 12 8.047 8.047 7.601 0.446 25660 3873 1 8 . 1 1 13 13 LYS N N 13 113.452 113.452 114.686 -1.234 25660 3874 1 8 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.394 0.541 25660 3875 1 8 . 1 1 13 13 LYS C C 13 177.353 177.353 177.133 0.220 25660 3876 1 8 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.679 -0.419 25660 3877 1 8 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.940 0.259 25660 3878 1 8 . 1 1 13 13 LYS H H 13 9.016 9.016 7.817 1.199 25660 3879 1 8 . 1 1 14 14 CYS N N 14 115.390 115.390 117.700 -2.310 25660 3880 1 8 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.443 0.853 25660 3881 1 8 . 1 1 14 14 CYS C C 14 177.723 177.723 175.608 2.115 25660 3882 1 8 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.789 -5.670 25660 3883 1 8 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.824 7.960 25660 3884 1 8 . 1 1 14 14 CYS H H 14 8.130 8.130 8.379 -0.249 25660 3885 1 8 . 1 1 15 15 SER N N 15 114.347 114.347 117.443 -3.096 25660 3886 1 8 . 1 1 15 15 SER HA H 15 3.768 3.768 4.304 -0.536 25660 3887 1 8 . 1 1 15 15 SER C C 15 174.272 174.272 175.597 -1.325 25660 3888 1 8 . 1 1 15 15 SER CA C 15 60.587 60.587 61.223 -0.636 25660 3889 1 8 . 1 1 15 15 SER CB C 15 62.483 62.483 63.370 -0.887 25660 3890 1 8 . 1 1 15 15 SER H H 15 7.297 7.297 8.144 -0.847 25660 3891 1 8 . 1 1 16 16 GLN N N 16 120.608 120.608 116.734 3.874 25660 3892 1 8 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.133 -0.224 25660 3893 1 8 . 1 1 16 16 GLN C C 16 176.559 176.559 176.146 0.413 25660 3894 1 8 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.689 0.249 25660 3895 1 8 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.306 -0.406 25660 3896 1 8 . 1 1 16 16 GLN H H 16 8.879 8.879 8.485 0.394 25660 3897 1 8 . 1 1 17 17 CYS N N 17 112.857 112.857 115.068 -2.211 25660 3898 1 8 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.751 -0.667 25660 3899 1 8 . 1 1 17 17 CYS C C 17 171.419 171.419 175.207 -3.788 25660 3900 1 8 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.883 -5.916 25660 3901 1 8 . 1 1 17 17 CYS CB C 17 38.172 38.172 30.350 7.822 25660 3902 1 8 . 1 1 17 17 CYS H H 17 6.805 6.805 7.894 -1.089 25660 3903 1 8 . 1 1 18 18 HIS N N 18 113.603 113.603 119.959 -6.356 25660 3904 1 8 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.059 -1.437 25660 3905 1 8 . 1 1 18 18 HIS CA C 18 53.514 53.514 57.057 -3.543 25660 3906 1 8 . 1 1 18 18 HIS CB C 18 31.916 31.916 31.249 0.667 25660 3907 1 8 . 1 1 18 18 HIS H H 18 6.223 6.223 8.358 -2.135 25660 3908 1 8 . 1 1 19 19 THR N N 19 109.280 109.280 109.717 -0.437 25660 3909 1 8 . 1 1 19 19 THR HA H 19 4.413 4.413 4.965 -0.552 25660 3910 1 8 . 1 1 19 19 THR C C 19 174.026 174.026 173.437 0.589 25660 3911 1 8 . 1 1 19 19 THR CA C 19 58.557 58.557 60.150 -1.593 25660 3912 1 8 . 1 1 19 19 THR CB C 19 71.176 71.176 70.990 0.186 25660 3913 1 8 . 1 1 19 19 THR H H 19 7.636 7.636 8.155 -0.519 25660 3914 1 8 . 1 1 20 20 VAL N N 20 110.620 110.620 115.182 -4.562 25660 3915 1 8 . 1 1 20 20 VAL HA H 20 3.765 3.765 5.048 -1.283 25660 3916 1 8 . 1 1 20 20 VAL C C 20 173.470 173.470 174.310 -0.840 25660 3917 1 8 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.423 0.371 25660 3918 1 8 . 1 1 20 20 VAL CB C 20 33.427 33.427 31.951 1.476 25660 3919 1 8 . 1 1 20 20 VAL H H 20 7.675 7.675 8.483 -0.808 25660 3920 1 8 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.695 -0.561 25660 3921 1 8 . 1 1 21 21 GLU C C 21 177.538 177.538 175.685 1.853 25660 3922 1 8 . 1 1 21 21 GLU CA C 21 56.452 56.452 53.735 2.717 25660 3923 1 8 . 1 1 21 21 GLU CB C 21 29.646 29.646 33.363 -3.717 25660 3924 1 8 . 1 1 22 22 LYS N N 22 126.123 126.123 126.868 -0.745 25660 3925 1 8 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.889 -0.837 25660 3926 1 8 . 1 1 22 22 LYS C C 22 177.538 177.538 177.294 0.244 25660 3927 1 8 . 1 1 22 22 LYS CA C 22 57.749 57.749 58.122 -0.373 25660 3928 1 8 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.282 -1.341 25660 3929 1 8 . 1 1 22 22 LYS H H 22 8.717 8.717 8.874 -0.157 25660 3930 1 8 . 1 1 23 23 GLY N N 23 117.177 117.177 110.252 6.925 25660 3931 1 8 . 1 1 23 23 GLY C C 23 174.531 174.531 174.463 0.068 25660 3932 1 8 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.488 0.418 25660 3933 1 8 . 1 1 23 23 GLY H H 23 9.078 9.078 8.563 0.515 25660 3934 1 8 . 1 1 24 24 GLY N N 24 107.042 107.042 109.578 -2.536 25660 3935 1 8 . 1 1 24 24 GLY C C 24 172.234 172.234 173.488 -1.254 25660 3936 1 8 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.748 -0.602 25660 3937 1 8 . 1 1 24 24 GLY H H 24 7.730 7.730 7.724 0.006 25660 3938 1 8 . 1 1 25 25 LYS N N 25 118.452 118.452 121.740 -3.288 25660 3939 1 8 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.604 -0.771 25660 3940 1 8 . 1 1 25 25 LYS C C 25 178.209 178.209 174.981 3.228 25660 3941 1 8 . 1 1 25 25 LYS CA C 25 55.712 55.712 55.257 0.455 25660 3942 1 8 . 1 1 25 25 LYS CB C 25 32.861 32.861 36.064 -3.203 25660 3943 1 8 . 1 1 25 25 LYS H H 25 8.222 8.222 8.213 0.009 25660 3944 1 8 . 1 1 26 26 HIS N N 26 122.465 122.465 119.680 2.785 25660 3945 1 8 . 1 1 26 26 HIS HA H 26 4.192 4.192 5.181 -0.989 25660 3946 1 8 . 1 1 26 26 HIS C C 26 175.081 175.081 174.051 1.030 25660 3947 1 8 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.235 0.578 25660 3948 1 8 . 1 1 26 26 HIS CB C 26 30.173 30.173 30.908 -0.735 25660 3949 1 8 . 1 1 26 26 HIS H H 26 8.545 8.545 8.551 -0.006 25660 3950 1 8 . 1 1 27 27 LYS N N 27 126.571 126.571 124.791 1.780 25660 3951 1 8 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.793 -0.423 25660 3952 1 8 . 1 1 27 27 LYS C C 27 175.781 175.781 177.615 -1.834 25660 3953 1 8 . 1 1 27 27 LYS CA C 27 55.066 55.066 54.927 0.139 25660 3954 1 8 . 1 1 27 27 LYS CB C 27 30.731 30.731 35.292 -4.561 25660 3955 1 8 . 1 1 27 27 LYS H H 27 7.439 7.439 8.261 -0.822 25660 3956 1 8 . 1 1 28 28 THR HA H 28 4.017 4.017 4.124 -0.107 25660 3957 1 8 . 1 1 28 28 THR C C 28 174.931 174.931 175.385 -0.454 25660 3958 1 8 . 1 1 28 28 THR CA C 28 67.083 67.083 64.739 2.344 25660 3959 1 8 . 1 1 28 28 THR CB C 28 69.766 69.766 69.013 0.753 25660 3960 1 8 . 1 1 29 29 GLY N N 29 106.150 106.150 109.876 -3.726 25660 3961 1 8 . 1 1 29 29 GLY C C 29 169.328 169.328 172.047 -2.719 25660 3962 1 8 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.395 -1.513 25660 3963 1 8 . 1 1 29 29 GLY H H 29 7.548 7.548 7.594 -0.046 25660 3964 1 8 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.004 -0.414 25660 3965 1 8 . 1 1 30 30 PRO CA C 30 60.269 60.269 61.849 -1.580 25660 3966 1 8 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.510 -2.490 25660 3967 1 8 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.739 -0.716 25660 3968 1 8 . 1 1 31 31 ASN C C 31 176.303 176.303 176.427 -0.124 25660 3969 1 8 . 1 1 31 31 ASN CA C 31 54.344 54.344 53.825 0.519 25660 3970 1 8 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.409 1.376 25660 3971 1 8 . 1 1 31 31 ASN H H 31 10.198 10.198 8.482 1.716 25660 3972 1 8 . 1 1 32 32 LEU N N 32 121.653 121.653 114.635 7.018 25660 3973 1 8 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.881 -0.014 25660 3974 1 8 . 1 1 32 32 LEU C C 32 174.533 174.533 175.286 -0.753 25660 3975 1 8 . 1 1 32 32 LEU CA C 32 53.287 53.287 56.043 -2.756 25660 3976 1 8 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.222 1.298 25660 3977 1 8 . 1 1 32 32 LEU H H 32 7.889 7.889 8.008 -0.119 25660 3978 1 8 . 1 1 33 33 HIS N N 33 119.860 119.860 117.188 2.672 25660 3979 1 8 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.394 -0.687 25660 3980 1 8 . 1 1 33 33 HIS C C 33 176.992 176.992 176.570 0.422 25660 3981 1 8 . 1 1 33 33 HIS CA C 33 60.491 60.491 57.887 2.604 25660 3982 1 8 . 1 1 33 33 HIS CB C 33 28.223 28.223 29.934 -1.711 25660 3983 1 8 . 1 1 33 33 HIS H H 33 7.445 7.445 7.797 -0.352 25660 3984 1 8 . 1 1 34 34 GLY N N 34 114.645 114.645 113.109 1.536 25660 3985 1 8 . 1 1 34 34 GLY C C 34 174.473 174.473 174.272 0.201 25660 3986 1 8 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.809 -0.096 25660 3987 1 8 . 1 1 34 34 GLY H H 34 8.763 8.763 8.997 -0.234 25660 3988 1 8 . 1 1 35 35 LEU N N 35 117.774 117.774 119.509 -1.735 25660 3989 1 8 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.081 -0.554 25660 3990 1 8 . 1 1 35 35 LEU C C 35 176.507 176.507 177.038 -0.531 25660 3991 1 8 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.228 0.230 25660 3992 1 8 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.256 1.552 25660 3993 1 8 . 1 1 35 35 LEU H H 35 7.010 7.010 7.501 -0.491 25660 3994 1 8 . 1 1 36 36 PHE N N 36 113.600 113.600 117.347 -3.747 25660 3995 1 8 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.751 -0.903 25660 3996 1 8 . 1 1 36 36 PHE C C 36 176.553 176.553 176.515 0.038 25660 3997 1 8 . 1 1 36 36 PHE CA C 36 59.702 59.702 58.786 0.916 25660 3998 1 8 . 1 1 36 36 PHE CB C 36 36.223 36.223 37.097 -0.874 25660 3999 1 8 . 1 1 36 36 PHE H H 36 8.694 8.694 8.340 0.354 25660 4000 1 8 . 1 1 37 37 GLY N N 37 112.857 112.857 110.290 2.567 25660 4001 1 8 . 1 1 37 37 GLY C C 37 173.382 173.382 173.468 -0.086 25660 4002 1 8 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.571 -0.116 25660 4003 1 8 . 1 1 37 37 GLY H H 37 8.839 8.839 8.546 0.293 25660 4004 1 8 . 1 1 38 38 ARG N N 38 124.035 124.035 120.629 3.406 25660 4005 1 8 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.599 -0.150 25660 4006 1 8 . 1 1 38 38 ARG C C 38 174.415 174.415 175.201 -0.786 25660 4007 1 8 . 1 1 38 38 ARG CA C 38 55.764 55.764 55.467 0.297 25660 4008 1 8 . 1 1 38 38 ARG CB C 38 32.411 32.411 31.647 0.764 25660 4009 1 8 . 1 1 38 38 ARG H H 38 8.215 8.215 7.974 0.241 25660 4010 1 8 . 1 1 39 39 LYS N N 39 123.290 123.290 121.222 2.068 25660 4011 1 8 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.485 0.362 25660 4012 1 8 . 1 1 39 39 LYS C C 39 172.219 172.219 177.075 -4.856 25660 4013 1 8 . 1 1 39 39 LYS CA C 39 55.199 55.199 55.903 -0.704 25660 4014 1 8 . 1 1 39 39 LYS CB C 39 33.682 33.682 32.751 0.931 25660 4015 1 8 . 1 1 39 39 LYS H H 39 8.147 8.147 8.433 -0.286 25660 4016 1 8 . 1 1 40 40 THR N N 40 113.158 113.158 113.722 -0.564 25660 4017 1 8 . 1 1 40 40 THR HA H 40 4.463 4.463 4.606 -0.143 25660 4018 1 8 . 1 1 40 40 THR C C 40 175.638 175.638 175.244 0.394 25660 4019 1 8 . 1 1 40 40 THR CA C 40 61.920 61.920 60.735 1.185 25660 4020 1 8 . 1 1 40 40 THR CB C 40 68.539 68.539 71.146 -2.607 25660 4021 1 8 . 1 1 40 40 THR H H 40 7.804 7.804 8.485 -0.681 25660 4022 1 8 . 1 1 41 41 GLY N N 41 111.811 111.811 105.894 5.917 25660 4023 1 8 . 1 1 41 41 GLY C C 41 174.720 174.720 173.807 0.913 25660 4024 1 8 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.147 0.262 25660 4025 1 8 . 1 1 41 41 GLY H H 41 9.040 9.040 8.575 0.465 25660 4026 1 8 . 1 1 42 42 GLN N N 42 117.180 117.180 117.892 -0.712 25660 4027 1 8 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.826 -0.472 25660 4028 1 8 . 1 1 42 42 GLN C C 42 175.152 175.152 174.235 0.917 25660 4029 1 8 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.178 -0.563 25660 4030 1 8 . 1 1 42 42 GLN CB C 42 28.977 28.977 31.891 -2.914 25660 4031 1 8 . 1 1 42 42 GLN H H 42 8.084 8.084 7.755 0.329 25660 4032 1 8 . 1 1 43 43 ALA N N 43 125.825 125.825 124.605 1.220 25660 4033 1 8 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.898 -0.362 25660 4034 1 8 . 1 1 43 43 ALA C C 43 175.308 175.308 174.621 0.687 25660 4035 1 8 . 1 1 43 43 ALA CA C 43 49.991 49.991 49.878 0.113 25660 4036 1 8 . 1 1 43 43 ALA CB C 43 18.488 18.488 20.422 -1.934 25660 4037 1 8 . 1 1 43 43 ALA H H 43 8.063 8.063 8.280 -0.217 25660 4038 1 8 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.413 -0.057 25660 4039 1 8 . 1 1 44 44 PRO C C 44 178.294 178.294 177.788 0.506 25660 4040 1 8 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.222 -0.766 25660 4041 1 8 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.692 -0.178 25660 4042 1 8 . 1 1 45 45 GLY N N 45 112.024 112.024 111.567 0.457 25660 4043 1 8 . 1 1 45 45 GLY C C 45 173.301 173.301 174.592 -1.291 25660 4044 1 8 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.300 0.049 25660 4045 1 8 . 1 1 45 45 GLY H H 45 8.831 8.831 8.764 0.067 25660 4046 1 8 . 1 1 46 46 TYR N N 46 120.307 120.307 121.535 -1.228 25660 4047 1 8 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.688 -0.496 25660 4048 1 8 . 1 1 46 46 TYR C C 46 174.910 174.910 175.011 -0.101 25660 4049 1 8 . 1 1 46 46 TYR CA C 46 57.515 57.515 57.910 -0.395 25660 4050 1 8 . 1 1 46 46 TYR CB C 46 39.539 39.539 39.263 0.277 25660 4051 1 8 . 1 1 46 46 TYR H H 46 7.661 7.661 8.041 -0.380 25660 4052 1 8 . 1 1 50 50 ALA N N 50 125.381 125.381 128.001 -2.620 25660 4053 1 8 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.516 -0.350 25660 4054 1 8 . 1 1 50 50 ALA C C 50 178.430 178.430 179.002 -0.572 25660 4055 1 8 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.333 0.480 25660 4056 1 8 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.139 -1.197 25660 4057 1 8 . 1 1 50 50 ALA H H 50 8.507 8.507 8.568 -0.061 25660 4058 1 8 . 1 1 51 51 ALA HA H 51 3.993 3.993 4.015 -0.022 25660 4059 1 8 . 1 1 51 51 ALA C C 51 178.634 178.634 179.876 -1.242 25660 4060 1 8 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.941 -1.009 25660 4061 1 8 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.326 -0.077 25660 4062 1 8 . 1 1 52 52 ASN N N 52 117.178 117.178 115.722 1.456 25660 4063 1 8 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.530 -0.201 25660 4064 1 8 . 1 1 52 52 ASN C C 52 176.255 176.255 177.289 -1.034 25660 4065 1 8 . 1 1 52 52 ASN CA C 52 55.769 55.769 56.063 -0.294 25660 4066 1 8 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.279 0.974 25660 4067 1 8 . 1 1 52 52 ASN H H 52 8.286 8.286 8.069 0.217 25660 4068 1 8 . 1 1 53 53 LYS N N 53 120.164 120.164 119.618 0.546 25660 4069 1 8 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.121 -0.393 25660 4070 1 8 . 1 1 53 53 LYS C C 53 177.676 177.676 178.089 -0.413 25660 4071 1 8 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.660 -0.258 25660 4072 1 8 . 1 1 53 53 LYS CB C 53 32.296 32.296 32.493 -0.197 25660 4073 1 8 . 1 1 53 53 LYS H H 53 8.152 8.152 7.955 0.197 25660 4074 1 8 . 1 1 54 54 ASN N N 54 116.286 116.286 117.418 -1.132 25660 4075 1 8 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.738 -0.349 25660 4076 1 8 . 1 1 54 54 ASN C C 54 175.501 175.501 174.447 1.054 25660 4077 1 8 . 1 1 54 54 ASN CA C 54 53.488 53.488 53.196 0.292 25660 4078 1 8 . 1 1 54 54 ASN CB C 54 38.101 38.101 38.242 -0.141 25660 4079 1 8 . 1 1 54 54 ASN H H 54 8.553 8.553 7.998 0.555 25660 4080 1 8 . 1 1 55 55 LYS N N 55 121.354 121.354 120.793 0.561 25660 4081 1 8 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.431 -0.399 25660 4082 1 8 . 1 1 55 55 LYS C C 55 177.422 177.422 176.760 0.662 25660 4083 1 8 . 1 1 55 55 LYS CA C 55 56.818 56.818 54.608 2.210 25660 4084 1 8 . 1 1 55 55 LYS CB C 55 31.536 31.536 33.151 -1.615 25660 4085 1 8 . 1 1 55 55 LYS H H 55 7.634 7.634 7.330 0.304 25660 4086 1 8 . 1 1 56 56 GLY CA C 56 46.052 46.052 44.852 1.200 25660 4087 1 8 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.216 -0.174 25660 4088 1 8 . 1 1 57 57 ILE C C 57 173.923 173.923 175.351 -1.428 25660 4089 1 8 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.281 -0.660 25660 4090 1 8 . 1 1 57 57 ILE CB C 57 38.366 38.366 39.697 -1.331 25660 4091 1 8 . 1 1 58 58 ILE N N 58 121.053 121.053 123.927 -2.874 25660 4092 1 8 . 1 1 58 58 ILE HA H 58 4.082 4.082 3.850 0.232 25660 4093 1 8 . 1 1 58 58 ILE C C 58 177.495 177.495 176.209 1.286 25660 4094 1 8 . 1 1 58 58 ILE CA C 58 58.867 58.867 60.154 -1.287 25660 4095 1 8 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.873 -0.369 25660 4096 1 8 . 1 1 58 58 ILE H H 58 7.988 7.988 8.258 -0.270 25660 4097 1 8 . 1 1 59 59 TRP N N 59 130.896 130.896 125.464 5.432 25660 4098 1 8 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.226 0.603 25660 4099 1 8 . 1 1 59 59 TRP C C 59 175.793 175.793 174.948 0.845 25660 4100 1 8 . 1 1 59 59 TRP CA C 59 57.229 57.229 57.399 -0.170 25660 4101 1 8 . 1 1 59 59 TRP CB C 59 29.908 29.908 27.863 2.045 25660 4102 1 8 . 1 1 59 59 TRP H H 59 8.931 8.931 8.526 0.405 25660 4103 1 8 . 1 1 60 60 GLY N N 60 111.218 111.218 110.287 0.931 25660 4104 1 8 . 1 1 60 60 GLY C C 60 171.636 171.636 173.301 -1.665 25660 4105 1 8 . 1 1 60 60 GLY CA C 60 44.214 44.214 44.785 -0.571 25660 4106 1 8 . 1 1 60 60 GLY H H 60 7.839 7.839 7.768 0.071 25660 4107 1 8 . 1 1 61 61 GLU N N 61 120.606 120.606 119.619 0.987 25660 4108 1 8 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.110 -0.252 25660 4109 1 8 . 1 1 61 61 GLU C C 61 177.011 177.011 177.753 -0.742 25660 4110 1 8 . 1 1 61 61 GLU CA C 61 62.088 62.088 60.129 1.959 25660 4111 1 8 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.823 -0.459 25660 4112 1 8 . 1 1 61 61 GLU H H 61 9.619 9.619 8.879 0.740 25660 4113 1 8 . 1 1 62 62 ASP N N 62 114.943 114.943 114.461 0.482 25660 4114 1 8 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.641 -0.307 25660 4115 1 8 . 1 1 62 62 ASP C C 62 179.228 179.228 177.724 1.504 25660 4116 1 8 . 1 1 62 62 ASP CA C 62 57.208 57.208 55.821 1.387 25660 4117 1 8 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.800 -1.323 25660 4118 1 8 . 1 1 62 62 ASP H H 62 8.396 8.396 8.461 -0.065 25660 4119 1 8 . 1 1 63 63 THR N N 63 112.857 112.857 116.971 -4.114 25660 4120 1 8 . 1 1 63 63 THR HA H 63 4.116 4.116 4.252 -0.136 25660 4121 1 8 . 1 1 63 63 THR C C 63 177.971 177.971 176.153 1.818 25660 4122 1 8 . 1 1 63 63 THR CA C 63 63.601 63.601 65.718 -2.117 25660 4123 1 8 . 1 1 63 63 THR CB C 63 68.918 68.918 69.483 -0.565 25660 4124 1 8 . 1 1 63 63 THR H H 63 8.246 8.246 7.558 0.688 25660 4125 1 8 . 1 1 64 64 LEU N N 64 121.355 121.355 122.366 -1.011 25660 4126 1 8 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.116 0.117 25660 4127 1 8 . 1 1 64 64 LEU C C 64 178.628 178.628 178.778 -0.150 25660 4128 1 8 . 1 1 64 64 LEU CA C 64 58.314 58.314 57.764 0.550 25660 4129 1 8 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.528 0.827 25660 4130 1 8 . 1 1 64 64 LEU H H 64 8.809 8.809 8.698 0.111 25660 4131 1 8 . 1 1 65 65 MET N N 65 118.519 118.519 119.308 -0.789 25660 4132 1 8 . 1 1 65 65 MET HA H 65 3.896 3.896 4.193 -0.297 25660 4133 1 8 . 1 1 65 65 MET C C 65 177.782 177.782 177.215 0.567 25660 4134 1 8 . 1 1 65 65 MET CA C 65 57.910 57.910 58.212 -0.302 25660 4135 1 8 . 1 1 65 65 MET CB C 65 31.019 31.019 32.138 -1.119 25660 4136 1 8 . 1 1 65 65 MET H H 65 7.934 7.934 7.965 -0.031 25660 4137 1 8 . 1 1 66 66 GLU N N 66 117.027 117.027 119.311 -2.284 25660 4138 1 8 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.054 -0.096 25660 4139 1 8 . 1 1 66 66 GLU C C 66 178.928 178.928 178.781 0.147 25660 4140 1 8 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.501 -0.398 25660 4141 1 8 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.100 0.576 25660 4142 1 8 . 1 1 66 66 GLU H H 66 6.795 6.795 7.712 -0.917 25660 4143 1 8 . 1 1 67 67 TYR N N 67 120.608 120.608 122.311 -1.703 25660 4144 1 8 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.211 -0.710 25660 4145 1 8 . 1 1 67 67 TYR C C 67 176.312 176.312 176.998 -0.686 25660 4146 1 8 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.668 -1.757 25660 4147 1 8 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.690 1.428 25660 4148 1 8 . 1 1 67 67 TYR H H 67 8.170 8.170 7.954 0.216 25660 4149 1 8 . 1 1 68 68 LEU N N 68 109.278 109.278 116.829 -7.551 25660 4150 1 8 . 1 1 68 68 LEU HA H 68 2.986 2.986 4.105 -1.119 25660 4151 1 8 . 1 1 68 68 LEU C C 68 176.652 176.652 178.799 -2.147 25660 4152 1 8 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.721 -1.510 25660 4153 1 8 . 1 1 68 68 LEU CB C 68 41.188 41.188 42.043 -0.855 25660 4154 1 8 . 1 1 68 68 LEU H H 68 8.108 8.108 8.255 -0.147 25660 4155 1 8 . 1 1 69 69 GLU N N 69 119.118 119.118 120.302 -1.184 25660 4156 1 8 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.293 -0.433 25660 4157 1 8 . 1 1 69 69 GLU C C 69 176.033 176.033 176.121 -0.088 25660 4158 1 8 . 1 1 69 69 GLU CA C 69 58.526 58.526 58.992 -0.466 25660 4159 1 8 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.604 -1.055 25660 4160 1 8 . 1 1 69 69 GLU H H 69 6.783 6.783 8.114 -1.331 25660 4161 1 8 . 1 1 70 70 ASN N N 70 105.553 105.553 111.429 -5.876 25660 4162 1 8 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.363 -1.232 25660 4163 1 8 . 1 1 70 70 ASN C C 70 172.247 172.247 172.899 -0.652 25660 4164 1 8 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.420 -0.055 25660 4165 1 8 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.924 -2.127 25660 4166 1 8 . 1 1 70 70 ASN H H 70 6.092 6.092 7.733 -1.641 25660 4167 1 8 . 1 1 71 71 PRO HA H 71 3.517 3.517 4.196 -0.679 25660 4168 1 8 . 1 1 71 71 PRO C C 71 176.414 176.414 178.167 -1.753 25660 4169 1 8 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.341 0.331 25660 4170 1 8 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.724 -1.789 25660 4171 1 8 . 1 1 72 72 LYS N N 72 113.454 113.454 116.621 -3.167 25660 4172 1 8 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.253 -0.538 25660 4173 1 8 . 1 1 72 72 LYS C C 72 177.234 177.234 178.353 -1.119 25660 4174 1 8 . 1 1 72 72 LYS CA C 72 57.046 57.046 58.446 -1.400 25660 4175 1 8 . 1 1 72 72 LYS CB C 72 31.565 31.565 30.718 0.847 25660 4176 1 8 . 1 1 72 72 LYS H H 72 7.457 7.457 8.216 -0.759 25660 4177 1 8 . 1 1 73 73 LYS N N 73 118.522 118.522 120.174 -1.652 25660 4178 1 8 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.171 -0.381 25660 4179 1 8 . 1 1 73 73 LYS C C 73 176.890 176.890 178.295 -1.405 25660 4180 1 8 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.387 -0.980 25660 4181 1 8 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.602 0.297 25660 4182 1 8 . 1 1 73 73 LYS H H 73 6.855 6.855 7.508 -0.653 25660 4183 1 8 . 1 1 74 74 TYR N N 74 118.674 118.674 119.638 -0.964 25660 4184 1 8 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.373 -0.142 25660 4185 1 8 . 1 1 74 74 TYR C C 74 175.794 175.794 175.817 -0.023 25660 4186 1 8 . 1 1 74 74 TYR CA C 74 60.721 60.721 61.057 -0.336 25660 4187 1 8 . 1 1 74 74 TYR CB C 74 39.536 39.536 40.256 -0.720 25660 4188 1 8 . 1 1 74 74 TYR H H 74 7.219 7.219 7.693 -0.474 25660 4189 1 8 . 1 1 75 75 ILE N N 75 114.346 114.346 117.475 -3.129 25660 4190 1 8 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.554 -0.487 25660 4191 1 8 . 1 1 75 75 ILE C C 75 179.773 179.773 173.917 5.856 25660 4192 1 8 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.711 -0.237 25660 4193 1 8 . 1 1 75 75 ILE CB C 75 37.615 37.615 38.845 -1.230 25660 4194 1 8 . 1 1 75 75 ILE H H 75 8.189 8.189 8.577 -0.388 25660 4195 1 8 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.849 -0.372 25660 4196 1 8 . 1 1 76 76 PRO C C 76 178.583 178.583 176.766 1.817 25660 4197 1 8 . 1 1 76 76 PRO CA C 76 64.021 64.021 62.122 1.899 25660 4198 1 8 . 1 1 76 76 PRO CB C 76 31.137 31.137 29.939 1.198 25660 4199 1 8 . 1 1 77 77 GLY N N 77 108.831 108.831 109.929 -1.098 25660 4200 1 8 . 1 1 77 77 GLY C C 77 174.866 174.866 172.807 2.059 25660 4201 1 8 . 1 1 77 77 GLY CA C 77 44.314 44.314 45.714 -1.400 25660 4202 1 8 . 1 1 77 77 GLY H H 77 8.563 8.563 8.041 0.522 25660 4203 1 8 . 1 1 78 78 THR N N 78 115.541 115.541 115.957 -0.416 25660 4204 1 8 . 1 1 78 78 THR HA H 78 4.226 4.226 4.499 -0.273 25660 4205 1 8 . 1 1 78 78 THR C C 78 173.114 173.114 173.826 -0.712 25660 4206 1 8 . 1 1 78 78 THR CA C 78 61.759 61.759 60.557 1.202 25660 4207 1 8 . 1 1 78 78 THR CB C 78 67.910 67.910 70.676 -2.766 25660 4208 1 8 . 1 1 78 78 THR H H 78 7.922 7.922 7.770 0.152 25660 4209 1 8 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.486 -0.105 25660 4210 1 8 . 1 1 79 79 LYS C C 79 175.845 175.845 176.706 -0.861 25660 4211 1 8 . 1 1 79 79 LYS CA C 79 55.526 55.526 55.987 -0.461 25660 4212 1 8 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.714 -0.411 25660 4213 1 8 . 1 1 80 80 MET N N 80 123.515 123.515 121.669 1.846 25660 4214 1 8 . 1 1 80 80 MET HA H 80 2.934 2.934 4.441 -1.507 25660 4215 1 8 . 1 1 80 80 MET C C 80 171.833 171.833 175.098 -3.265 25660 4216 1 8 . 1 1 80 80 MET CA C 80 55.863 55.863 54.775 1.088 25660 4217 1 8 . 1 1 80 80 MET CB C 80 27.552 27.552 31.943 -4.391 25660 4218 1 8 . 1 1 80 80 MET H H 80 7.384 7.384 7.673 -0.289 25660 4219 1 8 . 1 1 81 81 ILE N N 81 130.146 130.146 129.777 0.369 25660 4220 1 8 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.226 -0.741 25660 4221 1 8 . 1 1 81 81 ILE C C 81 173.220 173.220 175.035 -1.815 25660 4222 1 8 . 1 1 81 81 ILE CA C 81 59.285 59.285 59.972 -0.687 25660 4223 1 8 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.370 -0.758 25660 4224 1 8 . 1 1 81 81 ILE H H 81 7.856 7.856 8.165 -0.309 25660 4225 1 8 . 1 1 82 82 PHE N N 82 123.143 123.143 126.812 -3.669 25660 4226 1 8 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.811 -0.484 25660 4227 1 8 . 1 1 82 82 PHE C C 82 174.333 174.333 174.187 0.146 25660 4228 1 8 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.083 -0.505 25660 4229 1 8 . 1 1 82 82 PHE CB C 82 40.644 40.644 43.076 -2.432 25660 4230 1 8 . 1 1 82 82 PHE H H 82 6.529 6.529 7.827 -1.298 25660 4231 1 8 . 1 1 83 83 VAL N N 83 125.079 125.079 118.770 6.309 25660 4232 1 8 . 1 1 83 83 VAL HA H 83 3.286 3.286 4.198 -0.912 25660 4233 1 8 . 1 1 83 83 VAL C C 83 174.444 174.444 175.304 -0.860 25660 4234 1 8 . 1 1 83 83 VAL CA C 83 64.273 64.273 62.236 2.037 25660 4235 1 8 . 1 1 83 83 VAL CB C 83 31.352 31.352 32.674 -1.322 25660 4236 1 8 . 1 1 83 83 VAL H H 83 7.739 7.739 7.574 0.165 25660 4237 1 8 . 1 1 84 84 GLY C C 84 172.113 172.113 172.876 -0.763 25660 4238 1 8 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.701 -1.865 25660 4239 1 8 . 1 1 85 85 ILE N N 85 120.758 120.758 121.617 -0.859 25660 4240 1 8 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.509 -0.373 25660 4241 1 8 . 1 1 85 85 ILE C C 85 175.103 175.103 176.069 -0.966 25660 4242 1 8 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.342 -0.952 25660 4243 1 8 . 1 1 85 85 ILE CB C 85 39.528 39.528 39.020 0.508 25660 4244 1 8 . 1 1 85 85 ILE H H 85 8.327 8.327 8.736 -0.409 25660 4245 1 8 . 1 1 86 86 LYS N N 86 127.466 127.466 127.327 0.139 25660 4246 1 8 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.121 -0.149 25660 4247 1 8 . 1 1 86 86 LYS C C 86 178.442 178.442 177.390 1.052 25660 4248 1 8 . 1 1 86 86 LYS CA C 86 58.619 58.619 58.872 -0.253 25660 4249 1 8 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.714 -0.371 25660 4250 1 8 . 1 1 86 86 LYS H H 86 8.518 8.518 8.763 -0.245 25660 4251 1 8 . 1 1 87 87 LYS N N 87 120.309 120.309 119.829 0.480 25660 4252 1 8 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.305 -0.058 25660 4253 1 8 . 1 1 87 87 LYS C C 87 177.569 177.569 177.449 0.120 25660 4254 1 8 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.409 1.456 25660 4255 1 8 . 1 1 87 87 LYS CB C 87 32.531 32.531 32.681 -0.150 25660 4256 1 8 . 1 1 87 87 LYS H H 87 8.368 8.368 8.179 0.189 25660 4257 1 8 . 1 1 88 88 LYS N N 88 129.999 129.999 124.824 5.175 25660 4258 1 8 . 1 1 88 88 LYS HA H 88 3.562 3.562 3.987 -0.425 25660 4259 1 8 . 1 1 88 88 LYS C C 88 177.664 177.664 178.242 -0.578 25660 4260 1 8 . 1 1 88 88 LYS CA C 88 60.314 60.314 59.818 0.496 25660 4261 1 8 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.789 -0.706 25660 4262 1 8 . 1 1 88 88 LYS H H 88 9.151 9.151 8.750 0.401 25660 4263 1 8 . 1 1 89 89 GLU N N 89 117.925 117.925 118.677 -0.752 25660 4264 1 8 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.087 -0.188 25660 4265 1 8 . 1 1 89 89 GLU C C 89 177.911 177.911 178.503 -0.592 25660 4266 1 8 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.569 0.191 25660 4267 1 8 . 1 1 89 89 GLU CB C 89 28.814 28.814 28.715 0.099 25660 4268 1 8 . 1 1 89 89 GLU H H 89 9.462 9.462 8.842 0.620 25660 4269 1 8 . 1 1 90 90 GLU N N 90 116.437 116.437 119.651 -3.214 25660 4270 1 8 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.060 0.138 25660 4271 1 8 . 1 1 90 90 GLU C C 90 178.730 178.730 179.076 -0.346 25660 4272 1 8 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.527 -1.250 25660 4273 1 8 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.427 0.563 25660 4274 1 8 . 1 1 90 90 GLU H H 90 6.347 6.347 8.613 -2.266 25660 4275 1 8 . 1 1 91 91 ARG N N 91 117.405 117.405 117.899 -0.494 25660 4276 1 8 . 1 1 91 91 ARG HA H 91 3.740 3.740 4.077 -0.337 25660 4277 1 8 . 1 1 91 91 ARG C C 91 177.430 177.430 178.383 -0.953 25660 4278 1 8 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.215 1.967 25660 4279 1 8 . 1 1 91 91 ARG CB C 91 31.106 31.106 29.760 1.346 25660 4280 1 8 . 1 1 91 91 ARG H H 91 7.423 7.423 7.555 -0.132 25660 4281 1 8 . 1 1 92 92 ALA N N 92 120.161 120.161 123.001 -2.840 25660 4282 1 8 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.124 -0.154 25660 4283 1 8 . 1 1 92 92 ALA C C 92 181.044 181.044 179.639 1.405 25660 4284 1 8 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.776 0.505 25660 4285 1 8 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.555 -1.016 25660 4286 1 8 . 1 1 92 92 ALA H H 92 8.668 8.668 8.352 0.316 25660 4287 1 8 . 1 1 93 93 ASP N N 93 122.101 122.101 120.168 1.933 25660 4288 1 8 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.544 -0.336 25660 4289 1 8 . 1 1 93 93 ASP C C 93 177.634 177.634 178.380 -0.746 25660 4290 1 8 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.447 0.700 25660 4291 1 8 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.697 -1.145 25660 4292 1 8 . 1 1 93 93 ASP H H 93 8.153 8.153 7.938 0.215 25660 4293 1 8 . 1 1 94 94 LEU N N 94 121.208 121.208 122.400 -1.192 25660 4294 1 8 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.100 0.105 25660 4295 1 8 . 1 1 94 94 LEU C C 94 178.395 178.395 178.854 -0.459 25660 4296 1 8 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.179 0.116 25660 4297 1 8 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.214 -0.503 25660 4298 1 8 . 1 1 94 94 LEU H H 94 8.183 8.183 8.476 -0.293 25660 4299 1 8 . 1 1 95 95 ILE N N 95 120.159 120.159 118.159 2.000 25660 4300 1 8 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.630 -0.021 25660 4301 1 8 . 1 1 95 95 ILE C C 95 176.351 176.351 177.520 -1.169 25660 4302 1 8 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.488 0.734 25660 4303 1 8 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.605 0.062 25660 4304 1 8 . 1 1 95 95 ILE H H 95 8.974 8.974 8.276 0.698 25660 4305 1 8 . 1 1 96 96 ALA N N 96 123.001 123.001 122.858 0.143 25660 4306 1 8 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.951 0.075 25660 4307 1 8 . 1 1 96 96 ALA C C 96 180.700 180.700 179.299 1.401 25660 4308 1 8 . 1 1 96 96 ALA CA C 96 54.933 54.933 54.916 0.017 25660 4309 1 8 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.161 -1.191 25660 4310 1 8 . 1 1 96 96 ALA H H 96 7.974 7.974 7.513 0.461 25660 4311 1 8 . 1 1 97 97 TYR N N 97 118.224 118.224 120.307 -2.083 25660 4312 1 8 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.070 0.127 25660 4313 1 8 . 1 1 97 97 TYR C C 97 176.278 176.278 177.374 -1.096 25660 4314 1 8 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.611 1.845 25660 4315 1 8 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.152 -1.209 25660 4316 1 8 . 1 1 97 97 TYR H H 97 8.089 8.089 8.279 -0.190 25660 4317 1 8 . 1 1 98 98 LEU N N 98 119.118 119.118 118.747 0.371 25660 4318 1 8 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.317 0.017 25660 4319 1 8 . 1 1 98 98 LEU C C 98 179.188 179.188 179.026 0.162 25660 4320 1 8 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.929 -0.279 25660 4321 1 8 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.418 0.227 25660 4322 1 8 . 1 1 98 98 LEU H H 98 8.982 8.982 8.561 0.421 25660 4323 1 8 . 1 1 99 99 LYS N N 99 123.889 123.889 118.517 5.372 25660 4324 1 8 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.182 -0.632 25660 4325 1 8 . 1 1 99 99 LYS C C 99 176.653 176.653 178.610 -1.957 25660 4326 1 8 . 1 1 99 99 LYS CA C 99 59.190 59.190 58.997 0.193 25660 4327 1 8 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.820 0.049 25660 4328 1 8 . 1 1 99 99 LYS H H 99 8.945 8.945 8.057 0.888 25660 4329 1 8 . 1 1 100 100 LYS N N 100 116.726 116.726 117.987 -1.261 25660 4330 1 8 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.069 -0.093 25660 4331 1 8 . 1 1 100 100 LYS C C 100 178.363 178.363 177.629 0.734 25660 4332 1 8 . 1 1 100 100 LYS CA C 100 57.655 57.655 58.157 -0.502 25660 4333 1 8 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.720 0.455 25660 4334 1 8 . 1 1 100 100 LYS H H 100 6.724 6.724 7.418 -0.694 25660 4335 1 8 . 1 1 101 101 ALA N N 101 119.416 119.416 119.713 -0.297 25660 4336 1 8 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.634 -0.839 25660 4337 1 8 . 1 1 101 101 ALA C C 101 179.576 179.576 178.643 0.933 25660 4338 1 8 . 1 1 101 101 ALA CA C 101 54.401 54.401 53.873 0.528 25660 4339 1 8 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.584 -1.232 25660 4340 1 8 . 1 1 101 101 ALA H H 101 8.539 8.539 8.060 0.479 25660 4341 1 8 . 1 1 102 102 THR N N 102 101.974 101.974 109.638 -7.664 25660 4342 1 8 . 1 1 102 102 THR HA H 102 4.157 4.157 2.981 1.176 25660 4343 1 8 . 1 1 102 102 THR C C 102 172.872 172.872 175.242 -2.370 25660 4344 1 8 . 1 1 102 102 THR CA C 102 61.954 61.954 63.850 -1.896 25660 4345 1 8 . 1 1 102 102 THR CB C 102 69.403 69.403 68.354 1.049 25660 4346 1 8 . 1 1 102 102 THR H H 102 7.810 7.810 8.096 -0.286 25660 4347 1 8 . 1 1 103 103 ASN N N 103 118.372 118.372 117.586 0.786 25660 4348 1 8 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.710 0.057 25660 4349 1 8 . 1 1 103 103 ASN C C 103 173.663 173.663 175.625 -1.962 25660 4350 1 8 . 1 1 103 103 ASN CA C 103 52.469 52.469 53.426 -0.957 25660 4351 1 8 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.657 2.719 25660 4352 1 8 . 1 1 103 103 ASN H H 103 6.968 6.968 8.052 -1.084 25660 4353 1 9 . 1 1 2 2 ASP N N 2 124.691 124.691 122.105 2.586 25660 4354 1 9 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.947 -0.172 25660 4355 1 9 . 1 1 2 2 ASP C C 2 175.662 175.662 175.708 -0.046 25660 4356 1 9 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.107 0.665 25660 4357 1 9 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.270 -0.957 25660 4358 1 9 . 1 1 2 2 ASP H H 2 9.541 9.541 8.565 0.976 25660 4359 1 9 . 1 1 3 3 VAL N N 3 123.739 123.739 118.914 4.825 25660 4360 1 9 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.909 -0.359 25660 4361 1 9 . 1 1 3 3 VAL C C 3 177.302 177.302 177.549 -0.247 25660 4362 1 9 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.643 0.303 25660 4363 1 9 . 1 1 3 3 VAL CB C 3 31.965 31.965 31.942 0.023 25660 4364 1 9 . 1 1 3 3 VAL H H 3 8.569 8.569 8.403 0.166 25660 4365 1 9 . 1 1 4 4 GLU N N 4 120.310 120.310 119.289 1.021 25660 4366 1 9 . 1 1 4 4 GLU HA H 4 4.008 4.008 4.026 -0.018 25660 4367 1 9 . 1 1 4 4 GLU C C 4 180.515 180.515 179.085 1.430 25660 4368 1 9 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.255 -0.292 25660 4369 1 9 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.391 -0.912 25660 4370 1 9 . 1 1 4 4 GLU H H 4 8.083 8.083 8.121 -0.038 25660 4371 1 9 . 1 1 5 5 LYS N N 5 121.058 121.058 118.979 2.079 25660 4372 1 9 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.061 -0.162 25660 4373 1 9 . 1 1 5 5 LYS C C 5 180.515 180.515 179.109 1.406 25660 4374 1 9 . 1 1 5 5 LYS CA C 5 59.459 59.459 58.345 1.114 25660 4375 1 9 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.054 0.400 25660 4376 1 9 . 1 1 5 5 LYS H H 5 8.096 8.096 7.773 0.323 25660 4377 1 9 . 1 1 6 6 GLY N N 6 107.193 107.193 106.824 0.369 25660 4378 1 9 . 1 1 6 6 GLY C C 6 174.012 174.012 175.872 -1.860 25660 4379 1 9 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.523 -0.044 25660 4380 1 9 . 1 1 6 6 GLY H H 6 8.709 8.709 8.064 0.645 25660 4381 1 9 . 1 1 7 7 LYS N N 7 124.124 124.124 121.042 3.082 25660 4382 1 9 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.194 -1.034 25660 4383 1 9 . 1 1 7 7 LYS C C 7 177.457 177.457 178.519 -1.062 25660 4384 1 9 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.877 -0.825 25660 4385 1 9 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.908 0.197 25660 4386 1 9 . 1 1 7 7 LYS H H 7 8.039 8.039 7.856 0.183 25660 4387 1 9 . 1 1 8 8 LYS N N 8 116.732 116.732 117.984 -1.252 25660 4388 1 9 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.059 -0.244 25660 4389 1 9 . 1 1 8 8 LYS C C 8 179.228 179.228 179.028 0.200 25660 4390 1 9 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.848 0.474 25660 4391 1 9 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.715 0.100 25660 4392 1 9 . 1 1 8 8 LYS H H 8 6.958 6.958 7.616 -0.658 25660 4393 1 9 . 1 1 9 9 ILE N N 9 119.269 119.269 119.870 -0.601 25660 4394 1 9 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.933 -0.214 25660 4395 1 9 . 1 1 9 9 ILE C C 9 177.006 177.006 178.123 -1.117 25660 4396 1 9 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.263 2.842 25660 4397 1 9 . 1 1 9 9 ILE CB C 9 37.562 37.562 37.066 0.496 25660 4398 1 9 . 1 1 9 9 ILE H H 9 7.681 7.681 7.382 0.299 25660 4399 1 9 . 1 1 10 10 PHE N N 10 120.908 120.908 121.404 -0.496 25660 4400 1 9 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.299 -0.326 25660 4401 1 9 . 1 1 10 10 PHE C C 10 178.820 178.820 178.143 0.677 25660 4402 1 9 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.922 0.242 25660 4403 1 9 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.259 0.118 25660 4404 1 9 . 1 1 10 10 PHE H H 10 8.635 8.635 7.778 0.857 25660 4405 1 9 . 1 1 11 11 ILE N N 11 121.053 121.053 118.392 2.661 25660 4406 1 9 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.783 -0.467 25660 4407 1 9 . 1 1 11 11 ILE C C 11 178.867 178.867 177.546 1.321 25660 4408 1 9 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.779 0.843 25660 4409 1 9 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.952 -0.335 25660 4410 1 9 . 1 1 11 11 ILE H H 11 8.834 8.834 8.493 0.341 25660 4411 1 9 . 1 1 12 12 MET N N 12 117.328 117.328 117.765 -0.437 25660 4412 1 9 . 1 1 12 12 MET HA H 12 4.219 4.219 4.291 -0.072 25660 4413 1 9 . 1 1 12 12 MET C C 12 177.972 177.972 177.172 0.800 25660 4414 1 9 . 1 1 12 12 MET CA C 12 58.560 58.560 57.770 0.790 25660 4415 1 9 . 1 1 12 12 MET CB C 12 33.675 33.675 33.299 0.376 25660 4416 1 9 . 1 1 12 12 MET H H 12 8.047 8.047 7.742 0.305 25660 4417 1 9 . 1 1 13 13 LYS N N 13 113.452 113.452 114.786 -1.334 25660 4418 1 9 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.427 0.508 25660 4419 1 9 . 1 1 13 13 LYS C C 13 177.353 177.353 177.104 0.249 25660 4420 1 9 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.523 -0.263 25660 4421 1 9 . 1 1 13 13 LYS CB C 13 35.199 35.199 35.242 -0.043 25660 4422 1 9 . 1 1 13 13 LYS H H 13 9.016 9.016 7.841 1.175 25660 4423 1 9 . 1 1 14 14 CYS N N 14 115.390 115.390 118.102 -2.712 25660 4424 1 9 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.435 0.861 25660 4425 1 9 . 1 1 14 14 CYS C C 14 177.723 177.723 175.766 1.957 25660 4426 1 9 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.867 -5.748 25660 4427 1 9 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.711 8.073 25660 4428 1 9 . 1 1 14 14 CYS H H 14 8.130 8.130 8.322 -0.192 25660 4429 1 9 . 1 1 15 15 SER N N 15 114.347 114.347 117.932 -3.585 25660 4430 1 9 . 1 1 15 15 SER HA H 15 3.768 3.768 4.288 -0.520 25660 4431 1 9 . 1 1 15 15 SER C C 15 174.272 174.272 176.215 -1.943 25660 4432 1 9 . 1 1 15 15 SER CA C 15 60.587 60.587 61.514 -0.927 25660 4433 1 9 . 1 1 15 15 SER CB C 15 62.483 62.483 63.340 -0.857 25660 4434 1 9 . 1 1 15 15 SER H H 15 7.297 7.297 8.275 -0.978 25660 4435 1 9 . 1 1 16 16 GLN N N 16 120.608 120.608 117.770 2.838 25660 4436 1 9 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.156 -0.247 25660 4437 1 9 . 1 1 16 16 GLN C C 16 176.559 176.559 176.718 -0.159 25660 4438 1 9 . 1 1 16 16 GLN CA C 16 57.938 57.938 58.072 -0.134 25660 4439 1 9 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.124 -0.224 25660 4440 1 9 . 1 1 16 16 GLN H H 16 8.879 8.879 8.588 0.291 25660 4441 1 9 . 1 1 17 17 CYS N N 17 112.857 112.857 114.475 -1.618 25660 4442 1 9 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.539 -0.455 25660 4443 1 9 . 1 1 17 17 CYS C C 17 171.419 171.419 173.578 -2.159 25660 4444 1 9 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.066 -5.099 25660 4445 1 9 . 1 1 17 17 CYS CB C 17 38.172 38.172 29.756 8.416 25660 4446 1 9 . 1 1 17 17 CYS H H 17 6.805 6.805 7.928 -1.123 25660 4447 1 9 . 1 1 18 18 HIS N N 18 113.603 113.603 118.434 -4.831 25660 4448 1 9 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.511 -1.889 25660 4449 1 9 . 1 1 18 18 HIS CA C 18 53.514 53.514 54.962 -1.448 25660 4450 1 9 . 1 1 18 18 HIS CB C 18 31.916 31.916 33.550 -1.634 25660 4451 1 9 . 1 1 18 18 HIS H H 18 6.223 6.223 8.461 -2.238 25660 4452 1 9 . 1 1 19 19 THR N N 19 109.280 109.280 112.358 -3.078 25660 4453 1 9 . 1 1 19 19 THR HA H 19 4.413 4.413 4.941 -0.528 25660 4454 1 9 . 1 1 19 19 THR C C 19 174.026 174.026 174.079 -0.053 25660 4455 1 9 . 1 1 19 19 THR CA C 19 58.557 58.557 60.028 -1.471 25660 4456 1 9 . 1 1 19 19 THR CB C 19 71.176 71.176 71.474 -0.298 25660 4457 1 9 . 1 1 19 19 THR H H 19 7.636 7.636 8.311 -0.675 25660 4458 1 9 . 1 1 20 20 VAL N N 20 110.620 110.620 115.048 -4.428 25660 4459 1 9 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.771 -1.006 25660 4460 1 9 . 1 1 20 20 VAL C C 20 173.470 173.470 174.907 -1.437 25660 4461 1 9 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.032 0.762 25660 4462 1 9 . 1 1 20 20 VAL CB C 20 33.427 33.427 32.156 1.271 25660 4463 1 9 . 1 1 20 20 VAL H H 20 7.675 7.675 8.514 -0.839 25660 4464 1 9 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.312 -0.178 25660 4465 1 9 . 1 1 21 21 GLU C C 21 177.538 177.538 176.241 1.297 25660 4466 1 9 . 1 1 21 21 GLU CA C 21 56.452 56.452 56.296 0.156 25660 4467 1 9 . 1 1 21 21 GLU CB C 21 29.646 29.646 30.949 -1.303 25660 4468 1 9 . 1 1 22 22 LYS N N 22 126.123 126.123 127.779 -1.656 25660 4469 1 9 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.797 -0.745 25660 4470 1 9 . 1 1 22 22 LYS C C 22 177.538 177.538 177.257 0.281 25660 4471 1 9 . 1 1 22 22 LYS CA C 22 57.749 57.749 57.493 0.256 25660 4472 1 9 . 1 1 22 22 LYS CB C 22 30.941 30.941 31.637 -0.696 25660 4473 1 9 . 1 1 22 22 LYS H H 22 8.717 8.717 8.767 -0.050 25660 4474 1 9 . 1 1 23 23 GLY N N 23 117.177 117.177 113.280 3.897 25660 4475 1 9 . 1 1 23 23 GLY C C 23 174.531 174.531 173.910 0.621 25660 4476 1 9 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.364 0.542 25660 4477 1 9 . 1 1 23 23 GLY H H 23 9.078 9.078 8.567 0.511 25660 4478 1 9 . 1 1 24 24 GLY N N 24 107.042 107.042 108.177 -1.135 25660 4479 1 9 . 1 1 24 24 GLY C C 24 172.234 172.234 173.212 -0.978 25660 4480 1 9 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.821 -0.675 25660 4481 1 9 . 1 1 24 24 GLY H H 24 7.730 7.730 7.687 0.043 25660 4482 1 9 . 1 1 25 25 LYS N N 25 118.452 118.452 120.498 -2.046 25660 4483 1 9 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.720 -0.887 25660 4484 1 9 . 1 1 25 25 LYS C C 25 178.209 178.209 174.679 3.530 25660 4485 1 9 . 1 1 25 25 LYS CA C 25 55.712 55.712 54.660 1.052 25660 4486 1 9 . 1 1 25 25 LYS CB C 25 32.861 32.861 36.902 -4.041 25660 4487 1 9 . 1 1 25 25 LYS H H 25 8.222 8.222 8.873 -0.651 25660 4488 1 9 . 1 1 26 26 HIS N N 26 122.465 122.465 117.763 4.702 25660 4489 1 9 . 1 1 26 26 HIS HA H 26 4.192 4.192 5.172 -0.980 25660 4490 1 9 . 1 1 26 26 HIS C C 26 175.081 175.081 174.691 0.390 25660 4491 1 9 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.077 0.736 25660 4492 1 9 . 1 1 26 26 HIS CB C 26 30.173 30.173 31.899 -1.726 25660 4493 1 9 . 1 1 26 26 HIS H H 26 8.545 8.545 8.515 0.030 25660 4494 1 9 . 1 1 27 27 LYS N N 27 126.571 126.571 122.750 3.821 25660 4495 1 9 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.590 -0.220 25660 4496 1 9 . 1 1 27 27 LYS C C 27 175.781 175.781 176.493 -0.712 25660 4497 1 9 . 1 1 27 27 LYS CA C 27 55.066 55.066 54.785 0.281 25660 4498 1 9 . 1 1 27 27 LYS CB C 27 30.731 30.731 34.707 -3.976 25660 4499 1 9 . 1 1 27 27 LYS H H 27 7.439 7.439 8.640 -1.201 25660 4500 1 9 . 1 1 28 28 THR HA H 28 4.017 4.017 4.263 -0.246 25660 4501 1 9 . 1 1 28 28 THR C C 28 174.931 174.931 175.057 -0.126 25660 4502 1 9 . 1 1 28 28 THR CA C 28 67.083 67.083 64.166 2.917 25660 4503 1 9 . 1 1 28 28 THR CB C 28 69.766 69.766 69.140 0.626 25660 4504 1 9 . 1 1 29 29 GLY N N 29 106.150 106.150 109.257 -3.107 25660 4505 1 9 . 1 1 29 29 GLY C C 29 169.328 169.328 171.733 -2.405 25660 4506 1 9 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.945 -2.063 25660 4507 1 9 . 1 1 29 29 GLY H H 29 7.548 7.548 7.787 -0.239 25660 4508 1 9 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.571 -0.981 25660 4509 1 9 . 1 1 30 30 PRO CA C 30 60.269 60.269 62.094 -1.825 25660 4510 1 9 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.260 -2.240 25660 4511 1 9 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.835 -0.812 25660 4512 1 9 . 1 1 31 31 ASN C C 31 176.303 176.303 176.287 0.016 25660 4513 1 9 . 1 1 31 31 ASN CA C 31 54.344 54.344 53.145 1.199 25660 4514 1 9 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.530 1.255 25660 4515 1 9 . 1 1 31 31 ASN H H 31 10.198 10.198 8.294 1.904 25660 4516 1 9 . 1 1 32 32 LEU N N 32 121.653 121.653 115.849 5.804 25660 4517 1 9 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.824 0.043 25660 4518 1 9 . 1 1 32 32 LEU C C 32 174.533 174.533 175.023 -0.490 25660 4519 1 9 . 1 1 32 32 LEU CA C 32 53.287 53.287 56.178 -2.891 25660 4520 1 9 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.162 1.358 25660 4521 1 9 . 1 1 32 32 LEU H H 32 7.889 7.889 7.959 -0.070 25660 4522 1 9 . 1 1 33 33 HIS N N 33 119.860 119.860 119.156 0.704 25660 4523 1 9 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.400 -0.693 25660 4524 1 9 . 1 1 33 33 HIS C C 33 176.992 176.992 175.838 1.154 25660 4525 1 9 . 1 1 33 33 HIS CA C 33 60.491 60.491 57.932 2.559 25660 4526 1 9 . 1 1 33 33 HIS CB C 33 28.223 28.223 28.906 -0.683 25660 4527 1 9 . 1 1 33 33 HIS H H 33 7.445 7.445 7.812 -0.367 25660 4528 1 9 . 1 1 34 34 GLY N N 34 114.645 114.645 114.905 -0.260 25660 4529 1 9 . 1 1 34 34 GLY C C 34 174.473 174.473 174.532 -0.059 25660 4530 1 9 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.078 0.635 25660 4531 1 9 . 1 1 34 34 GLY H H 34 8.763 8.763 8.164 0.599 25660 4532 1 9 . 1 1 35 35 LEU N N 35 117.774 117.774 121.535 -3.761 25660 4533 1 9 . 1 1 35 35 LEU HA H 35 3.527 3.527 3.902 -0.375 25660 4534 1 9 . 1 1 35 35 LEU C C 35 176.507 176.507 176.799 -0.292 25660 4535 1 9 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.690 -0.231 25660 4536 1 9 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.088 1.720 25660 4537 1 9 . 1 1 35 35 LEU H H 35 7.010 7.010 7.706 -0.696 25660 4538 1 9 . 1 1 36 36 PHE N N 36 113.600 113.600 116.455 -2.855 25660 4539 1 9 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.651 -0.803 25660 4540 1 9 . 1 1 36 36 PHE C C 36 176.553 176.553 176.187 0.366 25660 4541 1 9 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.244 0.458 25660 4542 1 9 . 1 1 36 36 PHE CB C 36 36.223 36.223 37.323 -1.100 25660 4543 1 9 . 1 1 36 36 PHE H H 36 8.694 8.694 8.286 0.408 25660 4544 1 9 . 1 1 37 37 GLY N N 37 112.857 112.857 111.331 1.526 25660 4545 1 9 . 1 1 37 37 GLY C C 37 173.382 173.382 173.466 -0.084 25660 4546 1 9 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.676 -0.221 25660 4547 1 9 . 1 1 37 37 GLY H H 37 8.839 8.839 8.216 0.623 25660 4548 1 9 . 1 1 38 38 ARG N N 38 124.035 124.035 121.354 2.681 25660 4549 1 9 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.681 -0.232 25660 4550 1 9 . 1 1 38 38 ARG C C 38 174.415 174.415 175.655 -1.240 25660 4551 1 9 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.939 0.825 25660 4552 1 9 . 1 1 38 38 ARG CB C 38 32.411 32.411 31.592 0.819 25660 4553 1 9 . 1 1 38 38 ARG H H 38 8.215 8.215 7.945 0.270 25660 4554 1 9 . 1 1 39 39 LYS N N 39 123.290 123.290 122.047 1.243 25660 4555 1 9 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.127 0.720 25660 4556 1 9 . 1 1 39 39 LYS C C 39 172.219 172.219 176.838 -4.619 25660 4557 1 9 . 1 1 39 39 LYS CA C 39 55.199 55.199 56.331 -1.132 25660 4558 1 9 . 1 1 39 39 LYS CB C 39 33.682 33.682 32.642 1.040 25660 4559 1 9 . 1 1 39 39 LYS H H 39 8.147 8.147 8.452 -0.305 25660 4560 1 9 . 1 1 40 40 THR N N 40 113.158 113.158 117.664 -4.506 25660 4561 1 9 . 1 1 40 40 THR HA H 40 4.463 4.463 4.357 0.106 25660 4562 1 9 . 1 1 40 40 THR C C 40 175.638 175.638 176.300 -0.662 25660 4563 1 9 . 1 1 40 40 THR CA C 40 61.920 61.920 64.787 -2.867 25660 4564 1 9 . 1 1 40 40 THR CB C 40 68.539 68.539 69.249 -0.710 25660 4565 1 9 . 1 1 40 40 THR H H 40 7.804 7.804 8.330 -0.526 25660 4566 1 9 . 1 1 41 41 GLY N N 41 111.811 111.811 115.173 -3.362 25660 4567 1 9 . 1 1 41 41 GLY C C 41 174.720 174.720 174.298 0.422 25660 4568 1 9 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.092 0.317 25660 4569 1 9 . 1 1 41 41 GLY H H 41 9.040 9.040 8.881 0.159 25660 4570 1 9 . 1 1 42 42 GLN N N 42 117.180 117.180 123.259 -6.079 25660 4571 1 9 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.491 -0.137 25660 4572 1 9 . 1 1 42 42 GLN C C 42 175.152 175.152 174.900 0.252 25660 4573 1 9 . 1 1 42 42 GLN CA C 42 54.615 54.615 56.540 -1.925 25660 4574 1 9 . 1 1 42 42 GLN CB C 42 28.977 28.977 28.651 0.326 25660 4575 1 9 . 1 1 42 42 GLN H H 42 8.084 8.084 7.974 0.110 25660 4576 1 9 . 1 1 43 43 ALA N N 43 125.825 125.825 128.045 -2.220 25660 4577 1 9 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.935 -0.399 25660 4578 1 9 . 1 1 43 43 ALA C C 43 175.308 175.308 174.538 0.770 25660 4579 1 9 . 1 1 43 43 ALA CA C 43 49.991 49.991 49.597 0.394 25660 4580 1 9 . 1 1 43 43 ALA CB C 43 18.488 18.488 20.861 -2.373 25660 4581 1 9 . 1 1 43 43 ALA H H 43 8.063 8.063 8.260 -0.197 25660 4582 1 9 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.397 -0.041 25660 4583 1 9 . 1 1 44 44 PRO C C 44 178.294 178.294 177.314 0.980 25660 4584 1 9 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.217 -0.761 25660 4585 1 9 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.450 0.064 25660 4586 1 9 . 1 1 45 45 GLY N N 45 112.024 112.024 110.417 1.607 25660 4587 1 9 . 1 1 45 45 GLY C C 45 173.301 173.301 173.828 -0.527 25660 4588 1 9 . 1 1 45 45 GLY CA C 45 45.350 45.350 44.847 0.503 25660 4589 1 9 . 1 1 45 45 GLY H H 45 8.831 8.831 8.607 0.224 25660 4590 1 9 . 1 1 46 46 TYR N N 46 120.307 120.307 119.941 0.366 25660 4591 1 9 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.794 -0.602 25660 4592 1 9 . 1 1 46 46 TYR C C 46 174.910 174.910 174.285 0.625 25660 4593 1 9 . 1 1 46 46 TYR CA C 46 57.515 57.515 57.087 0.428 25660 4594 1 9 . 1 1 46 46 TYR CB C 46 39.539 39.539 40.229 -0.690 25660 4595 1 9 . 1 1 46 46 TYR H H 46 7.661 7.661 8.122 -0.461 25660 4596 1 9 . 1 1 50 50 ALA N N 50 125.381 125.381 128.391 -3.010 25660 4597 1 9 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.311 -0.145 25660 4598 1 9 . 1 1 50 50 ALA C C 50 178.430 178.430 178.259 0.171 25660 4599 1 9 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.441 0.372 25660 4600 1 9 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.264 -1.322 25660 4601 1 9 . 1 1 50 50 ALA H H 50 8.507 8.507 8.594 -0.087 25660 4602 1 9 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.967 0.026 25660 4603 1 9 . 1 1 51 51 ALA C C 51 178.634 178.634 178.975 -0.341 25660 4604 1 9 . 1 1 51 51 ALA CA C 51 53.932 53.932 55.089 -1.157 25660 4605 1 9 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.331 -0.082 25660 4606 1 9 . 1 1 52 52 ASN N N 52 117.178 117.178 115.080 2.098 25660 4607 1 9 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.564 -0.235 25660 4608 1 9 . 1 1 52 52 ASN C C 52 176.255 176.255 176.747 -0.492 25660 4609 1 9 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.112 0.657 25660 4610 1 9 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.491 0.762 25660 4611 1 9 . 1 1 52 52 ASN H H 52 8.286 8.286 8.101 0.185 25660 4612 1 9 . 1 1 53 53 LYS N N 53 120.164 120.164 119.210 0.954 25660 4613 1 9 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.132 -0.404 25660 4614 1 9 . 1 1 53 53 LYS C C 53 177.676 177.676 177.477 0.199 25660 4615 1 9 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.692 -0.290 25660 4616 1 9 . 1 1 53 53 LYS CB C 53 32.296 32.296 32.518 -0.222 25660 4617 1 9 . 1 1 53 53 LYS H H 53 8.152 8.152 7.699 0.453 25660 4618 1 9 . 1 1 54 54 ASN N N 54 116.286 116.286 115.539 0.747 25660 4619 1 9 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.736 -0.347 25660 4620 1 9 . 1 1 54 54 ASN C C 54 175.501 175.501 176.638 -1.137 25660 4621 1 9 . 1 1 54 54 ASN CA C 54 53.488 53.488 54.997 -1.509 25660 4622 1 9 . 1 1 54 54 ASN CB C 54 38.101 38.101 40.086 -1.985 25660 4623 1 9 . 1 1 54 54 ASN H H 54 8.553 8.553 7.771 0.782 25660 4624 1 9 . 1 1 55 55 LYS N N 55 121.354 121.354 117.817 3.537 25660 4625 1 9 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.624 -0.592 25660 4626 1 9 . 1 1 55 55 LYS C C 55 177.422 177.422 175.910 1.512 25660 4627 1 9 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.228 1.590 25660 4628 1 9 . 1 1 55 55 LYS CB C 55 31.536 31.536 33.812 -2.276 25660 4629 1 9 . 1 1 55 55 LYS H H 55 7.634 7.634 8.285 -0.651 25660 4630 1 9 . 1 1 56 56 GLY CA C 56 46.052 46.052 44.332 1.720 25660 4631 1 9 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.373 -0.331 25660 4632 1 9 . 1 1 57 57 ILE C C 57 173.923 173.923 174.323 -0.400 25660 4633 1 9 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.392 -0.771 25660 4634 1 9 . 1 1 57 57 ILE CB C 57 38.366 38.366 40.309 -1.943 25660 4635 1 9 . 1 1 58 58 ILE N N 58 121.053 121.053 125.038 -3.985 25660 4636 1 9 . 1 1 58 58 ILE HA H 58 4.082 4.082 3.773 0.309 25660 4637 1 9 . 1 1 58 58 ILE C C 58 177.495 177.495 176.219 1.276 25660 4638 1 9 . 1 1 58 58 ILE CA C 58 58.867 58.867 60.894 -2.027 25660 4639 1 9 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.628 -0.124 25660 4640 1 9 . 1 1 58 58 ILE H H 58 7.988 7.988 8.298 -0.310 25660 4641 1 9 . 1 1 59 59 TRP N N 59 130.896 130.896 129.410 1.486 25660 4642 1 9 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.388 0.441 25660 4643 1 9 . 1 1 59 59 TRP C C 59 175.793 175.793 175.915 -0.122 25660 4644 1 9 . 1 1 59 59 TRP CA C 59 57.229 57.229 56.966 0.263 25660 4645 1 9 . 1 1 59 59 TRP CB C 59 29.908 29.908 29.513 0.395 25660 4646 1 9 . 1 1 59 59 TRP H H 59 8.931 8.931 8.392 0.539 25660 4647 1 9 . 1 1 60 60 GLY N N 60 111.218 111.218 110.292 0.926 25660 4648 1 9 . 1 1 60 60 GLY C C 60 171.636 171.636 173.584 -1.948 25660 4649 1 9 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.630 -1.416 25660 4650 1 9 . 1 1 60 60 GLY H H 60 7.839 7.839 8.383 -0.544 25660 4651 1 9 . 1 1 61 61 GLU N N 61 120.606 120.606 119.142 1.464 25660 4652 1 9 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.171 -0.313 25660 4653 1 9 . 1 1 61 61 GLU C C 61 177.011 177.011 176.937 0.074 25660 4654 1 9 . 1 1 61 61 GLU CA C 61 62.088 62.088 60.074 2.014 25660 4655 1 9 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.738 -0.374 25660 4656 1 9 . 1 1 61 61 GLU H H 61 9.619 9.619 8.937 0.682 25660 4657 1 9 . 1 1 62 62 ASP N N 62 114.943 114.943 113.554 1.389 25660 4658 1 9 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.808 -0.474 25660 4659 1 9 . 1 1 62 62 ASP C C 62 179.228 179.228 177.328 1.900 25660 4660 1 9 . 1 1 62 62 ASP CA C 62 57.208 57.208 55.465 1.743 25660 4661 1 9 . 1 1 62 62 ASP CB C 62 39.477 39.477 41.512 -2.035 25660 4662 1 9 . 1 1 62 62 ASP H H 62 8.396 8.396 8.376 0.020 25660 4663 1 9 . 1 1 63 63 THR N N 63 112.857 112.857 114.349 -1.492 25660 4664 1 9 . 1 1 63 63 THR HA H 63 4.116 4.116 4.319 -0.203 25660 4665 1 9 . 1 1 63 63 THR C C 63 177.971 177.971 176.444 1.527 25660 4666 1 9 . 1 1 63 63 THR CA C 63 63.601 63.601 65.468 -1.867 25660 4667 1 9 . 1 1 63 63 THR CB C 63 68.918 68.918 69.244 -0.326 25660 4668 1 9 . 1 1 63 63 THR H H 63 8.246 8.246 7.518 0.728 25660 4669 1 9 . 1 1 64 64 LEU N N 64 121.355 121.355 123.601 -2.246 25660 4670 1 9 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.217 0.016 25660 4671 1 9 . 1 1 64 64 LEU C C 64 178.628 178.628 179.091 -0.463 25660 4672 1 9 . 1 1 64 64 LEU CA C 64 58.314 58.314 58.090 0.224 25660 4673 1 9 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.438 0.917 25660 4674 1 9 . 1 1 64 64 LEU H H 64 8.809 8.809 8.191 0.618 25660 4675 1 9 . 1 1 65 65 MET N N 65 118.519 118.519 118.806 -0.287 25660 4676 1 9 . 1 1 65 65 MET HA H 65 3.896 3.896 4.190 -0.294 25660 4677 1 9 . 1 1 65 65 MET C C 65 177.782 177.782 177.851 -0.069 25660 4678 1 9 . 1 1 65 65 MET CA C 65 57.910 57.910 59.079 -1.169 25660 4679 1 9 . 1 1 65 65 MET CB C 65 31.019 31.019 32.516 -1.497 25660 4680 1 9 . 1 1 65 65 MET H H 65 7.934 7.934 8.291 -0.357 25660 4681 1 9 . 1 1 66 66 GLU N N 66 117.027 117.027 119.111 -2.084 25660 4682 1 9 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.170 -0.212 25660 4683 1 9 . 1 1 66 66 GLU C C 66 178.928 178.928 178.804 0.124 25660 4684 1 9 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.614 -0.511 25660 4685 1 9 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.267 0.409 25660 4686 1 9 . 1 1 66 66 GLU H H 66 6.795 6.795 7.841 -1.046 25660 4687 1 9 . 1 1 67 67 TYR N N 67 120.608 120.608 121.736 -1.128 25660 4688 1 9 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.336 -0.835 25660 4689 1 9 . 1 1 67 67 TYR C C 67 176.312 176.312 177.514 -1.202 25660 4690 1 9 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.696 -1.785 25660 4691 1 9 . 1 1 67 67 TYR CB C 67 40.118 40.118 39.358 0.760 25660 4692 1 9 . 1 1 67 67 TYR H H 67 8.170 8.170 8.222 -0.052 25660 4693 1 9 . 1 1 68 68 LEU N N 68 109.278 109.278 118.256 -8.978 25660 4694 1 9 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.995 -1.009 25660 4695 1 9 . 1 1 68 68 LEU C C 68 176.652 176.652 178.870 -2.218 25660 4696 1 9 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.881 -1.670 25660 4697 1 9 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.508 -0.320 25660 4698 1 9 . 1 1 68 68 LEU H H 68 8.108 8.108 8.080 0.028 25660 4699 1 9 . 1 1 69 69 GLU N N 69 119.118 119.118 121.120 -2.002 25660 4700 1 9 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.315 -0.455 25660 4701 1 9 . 1 1 69 69 GLU C C 69 176.033 176.033 176.278 -0.245 25660 4702 1 9 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.143 -0.617 25660 4703 1 9 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.407 -0.858 25660 4704 1 9 . 1 1 69 69 GLU H H 69 6.783 6.783 8.057 -1.274 25660 4705 1 9 . 1 1 70 70 ASN N N 70 105.553 105.553 111.427 -5.874 25660 4706 1 9 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.296 -1.165 25660 4707 1 9 . 1 1 70 70 ASN C C 70 172.247 172.247 173.139 -0.892 25660 4708 1 9 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.545 -0.180 25660 4709 1 9 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.565 -1.768 25660 4710 1 9 . 1 1 70 70 ASN H H 70 6.092 6.092 7.938 -1.846 25660 4711 1 9 . 1 1 71 71 PRO HA H 71 3.517 3.517 3.835 -0.318 25660 4712 1 9 . 1 1 71 71 PRO C C 71 176.414 176.414 177.159 -0.745 25660 4713 1 9 . 1 1 71 71 PRO CA C 71 65.672 65.672 64.551 1.121 25660 4714 1 9 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.634 -1.699 25660 4715 1 9 . 1 1 72 72 LYS N N 72 113.454 113.454 115.123 -1.669 25660 4716 1 9 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.517 -0.802 25660 4717 1 9 . 1 1 72 72 LYS C C 72 177.234 177.234 177.769 -0.535 25660 4718 1 9 . 1 1 72 72 LYS CA C 72 57.046 57.046 56.159 0.887 25660 4719 1 9 . 1 1 72 72 LYS CB C 72 31.565 31.565 30.777 0.788 25660 4720 1 9 . 1 1 72 72 LYS H H 72 7.457 7.457 8.144 -0.687 25660 4721 1 9 . 1 1 73 73 LYS N N 73 118.522 118.522 119.970 -1.448 25660 4722 1 9 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.103 -0.313 25660 4723 1 9 . 1 1 73 73 LYS C C 73 176.890 176.890 177.751 -0.861 25660 4724 1 9 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.892 -1.485 25660 4725 1 9 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.498 0.401 25660 4726 1 9 . 1 1 73 73 LYS H H 73 6.855 6.855 7.904 -1.049 25660 4727 1 9 . 1 1 74 74 TYR N N 74 118.674 118.674 116.633 2.041 25660 4728 1 9 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.576 -0.345 25660 4729 1 9 . 1 1 74 74 TYR C C 74 175.794 175.794 175.300 0.494 25660 4730 1 9 . 1 1 74 74 TYR CA C 74 60.721 60.721 58.777 1.944 25660 4731 1 9 . 1 1 74 74 TYR CB C 74 39.536 39.536 39.945 -0.409 25660 4732 1 9 . 1 1 74 74 TYR H H 74 7.219 7.219 8.150 -0.931 25660 4733 1 9 . 1 1 75 75 ILE N N 75 114.346 114.346 118.652 -4.306 25660 4734 1 9 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.534 -0.467 25660 4735 1 9 . 1 1 75 75 ILE C C 75 179.773 179.773 174.170 5.603 25660 4736 1 9 . 1 1 75 75 ILE CA C 75 58.474 58.474 57.963 0.511 25660 4737 1 9 . 1 1 75 75 ILE CB C 75 37.615 37.615 39.156 -1.541 25660 4738 1 9 . 1 1 75 75 ILE H H 75 8.189 8.189 7.749 0.440 25660 4739 1 9 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.596 -0.119 25660 4740 1 9 . 1 1 76 76 PRO C C 76 178.583 178.583 177.771 0.812 25660 4741 1 9 . 1 1 76 76 PRO CA C 76 64.021 64.021 63.910 0.111 25660 4742 1 9 . 1 1 76 76 PRO CB C 76 31.137 31.137 31.770 -0.633 25660 4743 1 9 . 1 1 77 77 GLY N N 77 108.831 108.831 107.259 1.572 25660 4744 1 9 . 1 1 77 77 GLY C C 77 174.866 174.866 175.199 -0.333 25660 4745 1 9 . 1 1 77 77 GLY CA C 77 44.314 44.314 44.877 -0.562 25660 4746 1 9 . 1 1 77 77 GLY H H 77 8.563 8.563 7.943 0.620 25660 4747 1 9 . 1 1 78 78 THR N N 78 115.541 115.541 116.650 -1.109 25660 4748 1 9 . 1 1 78 78 THR HA H 78 4.226 4.226 4.309 -0.083 25660 4749 1 9 . 1 1 78 78 THR C C 78 173.114 173.114 174.943 -1.829 25660 4750 1 9 . 1 1 78 78 THR CA C 78 61.759 61.759 63.651 -1.892 25660 4751 1 9 . 1 1 78 78 THR CB C 78 67.910 67.910 69.517 -1.607 25660 4752 1 9 . 1 1 78 78 THR H H 78 7.922 7.922 7.701 0.221 25660 4753 1 9 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.557 -0.176 25660 4754 1 9 . 1 1 79 79 LYS C C 79 175.845 175.845 176.225 -0.380 25660 4755 1 9 . 1 1 79 79 LYS CA C 79 55.526 55.526 55.620 -0.094 25660 4756 1 9 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.529 -0.226 25660 4757 1 9 . 1 1 80 80 MET N N 80 123.515 123.515 123.016 0.499 25660 4758 1 9 . 1 1 80 80 MET HA H 80 2.934 2.934 4.431 -1.497 25660 4759 1 9 . 1 1 80 80 MET C C 80 171.833 171.833 175.353 -3.520 25660 4760 1 9 . 1 1 80 80 MET CA C 80 55.863 55.863 55.917 -0.054 25660 4761 1 9 . 1 1 80 80 MET CB C 80 27.552 27.552 32.747 -5.195 25660 4762 1 9 . 1 1 80 80 MET H H 80 7.384 7.384 7.615 -0.231 25660 4763 1 9 . 1 1 81 81 ILE N N 81 130.146 130.146 129.431 0.715 25660 4764 1 9 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.316 -0.831 25660 4765 1 9 . 1 1 81 81 ILE C C 81 173.220 173.220 175.101 -1.881 25660 4766 1 9 . 1 1 81 81 ILE CA C 81 59.285 59.285 59.981 -0.696 25660 4767 1 9 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.059 -0.447 25660 4768 1 9 . 1 1 81 81 ILE H H 81 7.856 7.856 8.631 -0.775 25660 4769 1 9 . 1 1 82 82 PHE N N 82 123.143 123.143 126.134 -2.991 25660 4770 1 9 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.761 -0.434 25660 4771 1 9 . 1 1 82 82 PHE C C 82 174.333 174.333 174.675 -0.342 25660 4772 1 9 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.344 -0.766 25660 4773 1 9 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.308 -1.664 25660 4774 1 9 . 1 1 82 82 PHE H H 82 6.529 6.529 7.955 -1.426 25660 4775 1 9 . 1 1 83 83 VAL N N 83 125.079 125.079 124.642 0.437 25660 4776 1 9 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.871 -0.585 25660 4777 1 9 . 1 1 83 83 VAL C C 83 174.444 174.444 175.115 -0.671 25660 4778 1 9 . 1 1 83 83 VAL CA C 83 64.273 64.273 62.660 1.613 25660 4779 1 9 . 1 1 83 83 VAL CB C 83 31.352 31.352 31.878 -0.526 25660 4780 1 9 . 1 1 83 83 VAL H H 83 7.739 7.739 7.870 -0.131 25660 4781 1 9 . 1 1 84 84 GLY C C 84 172.113 172.113 172.919 -0.806 25660 4782 1 9 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.097 -1.261 25660 4783 1 9 . 1 1 85 85 ILE N N 85 120.758 120.758 121.095 -0.337 25660 4784 1 9 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.279 -0.143 25660 4785 1 9 . 1 1 85 85 ILE C C 85 175.103 175.103 175.690 -0.587 25660 4786 1 9 . 1 1 85 85 ILE CA C 85 59.390 59.390 61.373 -1.983 25660 4787 1 9 . 1 1 85 85 ILE CB C 85 39.528 39.528 38.331 1.197 25660 4788 1 9 . 1 1 85 85 ILE H H 85 8.327 8.327 8.737 -0.410 25660 4789 1 9 . 1 1 86 86 LYS N N 86 127.466 127.466 127.827 -0.361 25660 4790 1 9 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.341 -0.369 25660 4791 1 9 . 1 1 86 86 LYS C C 86 178.442 178.442 177.149 1.293 25660 4792 1 9 . 1 1 86 86 LYS CA C 86 58.619 58.619 56.537 2.082 25660 4793 1 9 . 1 1 86 86 LYS CB C 86 32.343 32.343 33.013 -0.670 25660 4794 1 9 . 1 1 86 86 LYS H H 86 8.518 8.518 8.745 -0.227 25660 4795 1 9 . 1 1 87 87 LYS N N 87 120.309 120.309 120.911 -0.602 25660 4796 1 9 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.241 0.006 25660 4797 1 9 . 1 1 87 87 LYS C C 87 177.569 177.569 177.455 0.114 25660 4798 1 9 . 1 1 87 87 LYS CA C 87 56.865 56.865 56.537 0.328 25660 4799 1 9 . 1 1 87 87 LYS CB C 87 32.531 32.531 32.889 -0.359 25660 4800 1 9 . 1 1 87 87 LYS H H 87 8.368 8.368 8.241 0.127 25660 4801 1 9 . 1 1 88 88 LYS N N 88 129.999 129.999 122.660 7.339 25660 4802 1 9 . 1 1 88 88 LYS HA H 88 3.562 3.562 4.272 -0.710 25660 4803 1 9 . 1 1 88 88 LYS C C 88 177.664 177.664 178.536 -0.872 25660 4804 1 9 . 1 1 88 88 LYS CA C 88 60.314 60.314 58.763 1.551 25660 4805 1 9 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.967 -0.884 25660 4806 1 9 . 1 1 88 88 LYS H H 88 9.151 9.151 8.712 0.439 25660 4807 1 9 . 1 1 89 89 GLU N N 89 117.925 117.925 120.027 -2.102 25660 4808 1 9 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.102 -0.203 25660 4809 1 9 . 1 1 89 89 GLU C C 89 177.911 177.911 178.423 -0.512 25660 4810 1 9 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.712 0.049 25660 4811 1 9 . 1 1 89 89 GLU CB C 89 28.814 28.814 29.312 -0.498 25660 4812 1 9 . 1 1 89 89 GLU H H 89 9.462 9.462 8.784 0.678 25660 4813 1 9 . 1 1 90 90 GLU N N 90 116.437 116.437 118.155 -1.718 25660 4814 1 9 . 1 1 90 90 GLU HA H 90 4.198 4.198 3.972 0.226 25660 4815 1 9 . 1 1 90 90 GLU C C 90 178.730 178.730 178.898 -0.168 25660 4816 1 9 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.805 -1.528 25660 4817 1 9 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.384 0.607 25660 4818 1 9 . 1 1 90 90 GLU H H 90 6.347 6.347 8.674 -2.327 25660 4819 1 9 . 1 1 91 91 ARG N N 91 117.405 117.405 117.898 -0.493 25660 4820 1 9 . 1 1 91 91 ARG HA H 91 3.740 3.740 4.079 -0.339 25660 4821 1 9 . 1 1 91 91 ARG C C 91 177.430 177.430 178.565 -1.135 25660 4822 1 9 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.005 2.176 25660 4823 1 9 . 1 1 91 91 ARG CB C 91 31.106 31.106 29.412 1.694 25660 4824 1 9 . 1 1 91 91 ARG H H 91 7.423 7.423 8.346 -0.923 25660 4825 1 9 . 1 1 92 92 ALA N N 92 120.161 120.161 120.348 -0.187 25660 4826 1 9 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.232 -0.262 25660 4827 1 9 . 1 1 92 92 ALA C C 92 181.044 181.044 179.114 1.930 25660 4828 1 9 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.221 1.060 25660 4829 1 9 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.830 -1.291 25660 4830 1 9 . 1 1 92 92 ALA H H 92 8.668 8.668 7.631 1.037 25660 4831 1 9 . 1 1 93 93 ASP N N 93 122.101 122.101 120.001 2.100 25660 4832 1 9 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.579 -0.371 25660 4833 1 9 . 1 1 93 93 ASP C C 93 177.634 177.634 178.312 -0.678 25660 4834 1 9 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.513 0.634 25660 4835 1 9 . 1 1 93 93 ASP CB C 93 39.552 39.552 41.005 -1.453 25660 4836 1 9 . 1 1 93 93 ASP H H 93 8.153 8.153 7.755 0.398 25660 4837 1 9 . 1 1 94 94 LEU N N 94 121.208 121.208 122.500 -1.292 25660 4838 1 9 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.138 0.067 25660 4839 1 9 . 1 1 94 94 LEU C C 94 178.395 178.395 178.750 -0.355 25660 4840 1 9 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.212 0.083 25660 4841 1 9 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.228 -0.517 25660 4842 1 9 . 1 1 94 94 LEU H H 94 8.183 8.183 8.261 -0.078 25660 4843 1 9 . 1 1 95 95 ILE N N 95 120.159 120.159 118.648 1.511 25660 4844 1 9 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.671 -0.062 25660 4845 1 9 . 1 1 95 95 ILE C C 95 176.351 176.351 177.479 -1.128 25660 4846 1 9 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.351 0.871 25660 4847 1 9 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.429 0.239 25660 4848 1 9 . 1 1 95 95 ILE H H 95 8.974 8.974 8.353 0.621 25660 4849 1 9 . 1 1 96 96 ALA N N 96 123.001 123.001 122.627 0.374 25660 4850 1 9 . 1 1 96 96 ALA HA H 96 4.026 4.026 4.034 -0.008 25660 4851 1 9 . 1 1 96 96 ALA C C 96 180.700 180.700 179.481 1.219 25660 4852 1 9 . 1 1 96 96 ALA CA C 96 54.933 54.933 55.029 -0.096 25660 4853 1 9 . 1 1 96 96 ALA CB C 96 16.970 16.970 17.875 -0.905 25660 4854 1 9 . 1 1 96 96 ALA H H 96 7.974 7.974 7.315 0.659 25660 4855 1 9 . 1 1 97 97 TYR N N 97 118.224 118.224 120.235 -2.011 25660 4856 1 9 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.085 0.112 25660 4857 1 9 . 1 1 97 97 TYR C C 97 176.278 176.278 177.535 -1.257 25660 4858 1 9 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.831 1.625 25660 4859 1 9 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.159 -1.216 25660 4860 1 9 . 1 1 97 97 TYR H H 97 8.089 8.089 8.080 0.009 25660 4861 1 9 . 1 1 98 98 LEU N N 98 119.118 119.118 118.359 0.759 25660 4862 1 9 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.330 0.004 25660 4863 1 9 . 1 1 98 98 LEU C C 98 179.188 179.188 179.049 0.139 25660 4864 1 9 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.673 -0.023 25660 4865 1 9 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.417 0.228 25660 4866 1 9 . 1 1 98 98 LEU H H 98 8.982 8.982 8.531 0.451 25660 4867 1 9 . 1 1 99 99 LYS N N 99 123.889 123.889 120.310 3.579 25660 4868 1 9 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.625 -1.076 25660 4869 1 9 . 1 1 99 99 LYS C C 99 176.653 176.653 178.921 -2.268 25660 4870 1 9 . 1 1 99 99 LYS CA C 99 59.190 59.190 59.487 -0.297 25660 4871 1 9 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.800 0.069 25660 4872 1 9 . 1 1 99 99 LYS H H 99 8.945 8.945 8.026 0.919 25660 4873 1 9 . 1 1 100 100 LYS N N 100 116.726 116.726 118.174 -1.448 25660 4874 1 9 . 1 1 100 100 LYS HA H 100 3.976 3.976 3.984 -0.008 25660 4875 1 9 . 1 1 100 100 LYS C C 100 178.363 178.363 177.383 0.980 25660 4876 1 9 . 1 1 100 100 LYS CA C 100 57.655 57.655 58.049 -0.394 25660 4877 1 9 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.280 0.895 25660 4878 1 9 . 1 1 100 100 LYS H H 100 6.724 6.724 7.787 -1.063 25660 4879 1 9 . 1 1 101 101 ALA N N 101 119.416 119.416 118.071 1.345 25660 4880 1 9 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.321 -0.526 25660 4881 1 9 . 1 1 101 101 ALA C C 101 179.576 179.576 178.756 0.820 25660 4882 1 9 . 1 1 101 101 ALA CA C 101 54.401 54.401 53.681 0.720 25660 4883 1 9 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.720 -1.367 25660 4884 1 9 . 1 1 101 101 ALA H H 101 8.539 8.539 7.687 0.852 25660 4885 1 9 . 1 1 102 102 THR N N 102 101.974 101.974 107.801 -5.827 25660 4886 1 9 . 1 1 102 102 THR HA H 102 4.157 4.157 3.825 0.332 25660 4887 1 9 . 1 1 102 102 THR C C 102 172.872 172.872 175.548 -2.676 25660 4888 1 9 . 1 1 102 102 THR CA C 102 61.954 61.954 62.424 -0.470 25660 4889 1 9 . 1 1 102 102 THR CB C 102 69.403 69.403 69.226 0.177 25660 4890 1 9 . 1 1 102 102 THR H H 102 7.810 7.810 8.046 -0.236 25660 4891 1 9 . 1 1 103 103 ASN N N 103 118.372 118.372 118.667 -0.295 25660 4892 1 9 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.790 -0.023 25660 4893 1 9 . 1 1 103 103 ASN C C 103 173.663 173.663 175.633 -1.970 25660 4894 1 9 . 1 1 103 103 ASN CA C 103 52.469 52.469 52.812 -0.343 25660 4895 1 9 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.616 2.760 25660 4896 1 9 . 1 1 103 103 ASN H H 103 6.968 6.968 7.755 -0.787 25660 4897 1 10 . 1 1 2 2 ASP N N 2 124.691 124.691 120.792 3.899 25660 4898 1 10 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.987 -0.212 25660 4899 1 10 . 1 1 2 2 ASP C C 2 175.662 175.662 175.747 -0.085 25660 4900 1 10 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.468 0.304 25660 4901 1 10 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.325 -1.012 25660 4902 1 10 . 1 1 2 2 ASP H H 2 9.541 9.541 8.479 1.062 25660 4903 1 10 . 1 1 3 3 VAL N N 3 123.739 123.739 117.995 5.744 25660 4904 1 10 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.878 -0.328 25660 4905 1 10 . 1 1 3 3 VAL C C 3 177.302 177.302 176.989 0.313 25660 4906 1 10 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.383 0.563 25660 4907 1 10 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.021 -0.056 25660 4908 1 10 . 1 1 3 3 VAL H H 3 8.569 8.569 8.400 0.169 25660 4909 1 10 . 1 1 4 4 GLU N N 4 120.310 120.310 118.613 1.697 25660 4910 1 10 . 1 1 4 4 GLU HA H 4 4.008 4.008 4.296 -0.288 25660 4911 1 10 . 1 1 4 4 GLU C C 4 180.515 180.515 178.911 1.604 25660 4912 1 10 . 1 1 4 4 GLU CA C 4 58.963 58.963 57.945 1.018 25660 4913 1 10 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.409 -0.930 25660 4914 1 10 . 1 1 4 4 GLU H H 4 8.083 8.083 8.999 -0.916 25660 4915 1 10 . 1 1 5 5 LYS N N 5 121.058 121.058 120.352 0.706 25660 4916 1 10 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.104 -0.205 25660 4917 1 10 . 1 1 5 5 LYS C C 5 180.515 180.515 178.904 1.611 25660 4918 1 10 . 1 1 5 5 LYS CA C 5 59.459 59.459 59.003 0.456 25660 4919 1 10 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.213 0.241 25660 4920 1 10 . 1 1 5 5 LYS H H 5 8.096 8.096 8.490 -0.394 25660 4921 1 10 . 1 1 6 6 GLY N N 6 107.193 107.193 106.281 0.912 25660 4922 1 10 . 1 1 6 6 GLY C C 6 174.012 174.012 175.748 -1.736 25660 4923 1 10 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.432 0.047 25660 4924 1 10 . 1 1 6 6 GLY H H 6 8.709 8.709 7.945 0.764 25660 4925 1 10 . 1 1 7 7 LYS N N 7 124.124 124.124 120.986 3.138 25660 4926 1 10 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.063 -0.903 25660 4927 1 10 . 1 1 7 7 LYS C C 7 177.457 177.457 178.464 -1.007 25660 4928 1 10 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.739 -0.687 25660 4929 1 10 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.852 0.253 25660 4930 1 10 . 1 1 7 7 LYS H H 7 8.039 8.039 7.746 0.293 25660 4931 1 10 . 1 1 8 8 LYS N N 8 116.732 116.732 117.789 -1.057 25660 4932 1 10 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.063 -0.248 25660 4933 1 10 . 1 1 8 8 LYS C C 8 179.228 179.228 179.047 0.181 25660 4934 1 10 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.733 0.589 25660 4935 1 10 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.863 -0.048 25660 4936 1 10 . 1 1 8 8 LYS H H 8 6.958 6.958 7.558 -0.600 25660 4937 1 10 . 1 1 9 9 ILE N N 9 119.269 119.269 119.759 -0.490 25660 4938 1 10 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.977 -0.258 25660 4939 1 10 . 1 1 9 9 ILE C C 9 177.006 177.006 177.876 -0.870 25660 4940 1 10 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.098 3.007 25660 4941 1 10 . 1 1 9 9 ILE CB C 9 37.562 37.562 37.032 0.530 25660 4942 1 10 . 1 1 9 9 ILE H H 9 7.681 7.681 7.488 0.193 25660 4943 1 10 . 1 1 10 10 PHE N N 10 120.908 120.908 121.938 -1.030 25660 4944 1 10 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.328 -0.355 25660 4945 1 10 . 1 1 10 10 PHE C C 10 178.820 178.820 178.057 0.763 25660 4946 1 10 . 1 1 10 10 PHE CA C 10 62.164 62.164 62.225 -0.061 25660 4947 1 10 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.539 -0.162 25660 4948 1 10 . 1 1 10 10 PHE H H 10 8.635 8.635 7.809 0.826 25660 4949 1 10 . 1 1 11 11 ILE N N 11 121.053 121.053 117.397 3.656 25660 4950 1 10 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.864 -0.548 25660 4951 1 10 . 1 1 11 11 ILE C C 11 178.867 178.867 177.412 1.455 25660 4952 1 10 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.256 1.366 25660 4953 1 10 . 1 1 11 11 ILE CB C 11 37.617 37.617 38.026 -0.409 25660 4954 1 10 . 1 1 11 11 ILE H H 11 8.834 8.834 8.359 0.475 25660 4955 1 10 . 1 1 12 12 MET N N 12 117.328 117.328 117.994 -0.666 25660 4956 1 10 . 1 1 12 12 MET HA H 12 4.219 4.219 4.276 -0.057 25660 4957 1 10 . 1 1 12 12 MET C C 12 177.972 177.972 177.304 0.668 25660 4958 1 10 . 1 1 12 12 MET CA C 12 58.560 58.560 58.019 0.541 25660 4959 1 10 . 1 1 12 12 MET CB C 12 33.675 33.675 33.487 0.188 25660 4960 1 10 . 1 1 12 12 MET H H 12 8.047 8.047 7.554 0.493 25660 4961 1 10 . 1 1 13 13 LYS N N 13 113.452 113.452 115.387 -1.935 25660 4962 1 10 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.490 0.445 25660 4963 1 10 . 1 1 13 13 LYS C C 13 177.353 177.353 177.331 0.022 25660 4964 1 10 . 1 1 13 13 LYS CA C 13 57.260 57.260 58.080 -0.820 25660 4965 1 10 . 1 1 13 13 LYS CB C 13 35.199 35.199 35.048 0.151 25660 4966 1 10 . 1 1 13 13 LYS H H 13 9.016 9.016 8.111 0.905 25660 4967 1 10 . 1 1 14 14 CYS N N 14 115.390 115.390 117.965 -2.575 25660 4968 1 10 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.511 0.785 25660 4969 1 10 . 1 1 14 14 CYS C C 14 177.723 177.723 176.030 1.693 25660 4970 1 10 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.789 -5.670 25660 4971 1 10 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.692 8.092 25660 4972 1 10 . 1 1 14 14 CYS H H 14 8.130 8.130 8.313 -0.183 25660 4973 1 10 . 1 1 15 15 SER N N 15 114.347 114.347 118.127 -3.780 25660 4974 1 10 . 1 1 15 15 SER HA H 15 3.768 3.768 4.082 -0.314 25660 4975 1 10 . 1 1 15 15 SER C C 15 174.272 174.272 175.665 -1.393 25660 4976 1 10 . 1 1 15 15 SER CA C 15 60.587 60.587 61.429 -0.842 25660 4977 1 10 . 1 1 15 15 SER CB C 15 62.483 62.483 63.035 -0.552 25660 4978 1 10 . 1 1 15 15 SER H H 15 7.297 7.297 8.047 -0.750 25660 4979 1 10 . 1 1 16 16 GLN N N 16 120.608 120.608 118.724 1.884 25660 4980 1 10 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.132 -0.223 25660 4981 1 10 . 1 1 16 16 GLN C C 16 176.559 176.559 176.515 0.044 25660 4982 1 10 . 1 1 16 16 GLN CA C 16 57.938 57.938 58.111 -0.173 25660 4983 1 10 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.972 -1.072 25660 4984 1 10 . 1 1 16 16 GLN H H 16 8.879 8.879 8.423 0.456 25660 4985 1 10 . 1 1 17 17 CYS N N 17 112.857 112.857 114.085 -1.228 25660 4986 1 10 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.721 -0.637 25660 4987 1 10 . 1 1 17 17 CYS C C 17 171.419 171.419 175.152 -3.733 25660 4988 1 10 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.157 -5.190 25660 4989 1 10 . 1 1 17 17 CYS CB C 17 38.172 38.172 29.631 8.541 25660 4990 1 10 . 1 1 17 17 CYS H H 17 6.805 6.805 7.901 -1.096 25660 4991 1 10 . 1 1 18 18 HIS N N 18 113.603 113.603 119.223 -5.620 25660 4992 1 10 . 1 1 18 18 HIS HA H 18 3.622 3.622 4.999 -1.377 25660 4993 1 10 . 1 1 18 18 HIS CA C 18 53.514 53.514 56.927 -3.413 25660 4994 1 10 . 1 1 18 18 HIS CB C 18 31.916 31.916 31.246 0.670 25660 4995 1 10 . 1 1 18 18 HIS H H 18 6.223 6.223 8.202 -1.979 25660 4996 1 10 . 1 1 19 19 THR N N 19 109.280 109.280 112.394 -3.114 25660 4997 1 10 . 1 1 19 19 THR HA H 19 4.413 4.413 4.957 -0.544 25660 4998 1 10 . 1 1 19 19 THR C C 19 174.026 174.026 173.506 0.520 25660 4999 1 10 . 1 1 19 19 THR CA C 19 58.557 58.557 61.676 -3.119 25660 5000 1 10 . 1 1 19 19 THR CB C 19 71.176 71.176 71.813 -0.637 25660 5001 1 10 . 1 1 19 19 THR H H 19 7.636 7.636 8.311 -0.675 25660 5002 1 10 . 1 1 20 20 VAL N N 20 110.620 110.620 115.665 -5.045 25660 5003 1 10 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.719 -0.954 25660 5004 1 10 . 1 1 20 20 VAL C C 20 173.470 173.470 174.171 -0.701 25660 5005 1 10 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.342 0.452 25660 5006 1 10 . 1 1 20 20 VAL CB C 20 33.427 33.427 31.799 1.628 25660 5007 1 10 . 1 1 20 20 VAL H H 20 7.675 7.675 8.459 -0.784 25660 5008 1 10 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.620 -0.486 25660 5009 1 10 . 1 1 21 21 GLU C C 21 177.538 177.538 176.347 1.191 25660 5010 1 10 . 1 1 21 21 GLU CA C 21 56.452 56.452 54.289 2.163 25660 5011 1 10 . 1 1 21 21 GLU CB C 21 29.646 29.646 33.401 -3.755 25660 5012 1 10 . 1 1 22 22 LYS N N 22 126.123 126.123 127.714 -1.591 25660 5013 1 10 . 1 1 22 22 LYS HA H 22 3.052 3.052 4.171 -1.119 25660 5014 1 10 . 1 1 22 22 LYS C C 22 177.538 177.538 177.956 -0.418 25660 5015 1 10 . 1 1 22 22 LYS CA C 22 57.749 57.749 57.737 0.012 25660 5016 1 10 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.160 -1.219 25660 5017 1 10 . 1 1 22 22 LYS H H 22 8.717 8.717 8.822 -0.105 25660 5018 1 10 . 1 1 23 23 GLY N N 23 117.177 117.177 113.850 3.327 25660 5019 1 10 . 1 1 23 23 GLY C C 23 174.531 174.531 173.982 0.549 25660 5020 1 10 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.912 -0.006 25660 5021 1 10 . 1 1 23 23 GLY H H 23 9.078 9.078 8.961 0.117 25660 5022 1 10 . 1 1 24 24 GLY N N 24 107.042 107.042 106.240 0.802 25660 5023 1 10 . 1 1 24 24 GLY C C 24 172.234 172.234 173.549 -1.315 25660 5024 1 10 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.733 -0.587 25660 5025 1 10 . 1 1 24 24 GLY H H 24 7.730 7.730 7.845 -0.115 25660 5026 1 10 . 1 1 25 25 LYS N N 25 118.452 118.452 123.415 -4.963 25660 5027 1 10 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.415 -0.582 25660 5028 1 10 . 1 1 25 25 LYS C C 25 178.209 178.209 175.476 2.733 25660 5029 1 10 . 1 1 25 25 LYS CA C 25 55.712 55.712 54.828 0.884 25660 5030 1 10 . 1 1 25 25 LYS CB C 25 32.861 32.861 36.515 -3.654 25660 5031 1 10 . 1 1 25 25 LYS H H 25 8.222 8.222 8.319 -0.097 25660 5032 1 10 . 1 1 26 26 HIS N N 26 122.465 122.465 119.603 2.862 25660 5033 1 10 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.708 -0.516 25660 5034 1 10 . 1 1 26 26 HIS C C 26 175.081 175.081 174.570 0.511 25660 5035 1 10 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.411 0.402 25660 5036 1 10 . 1 1 26 26 HIS CB C 26 30.173 30.173 29.651 0.522 25660 5037 1 10 . 1 1 26 26 HIS H H 26 8.545 8.545 7.697 0.848 25660 5038 1 10 . 1 1 27 27 LYS N N 27 126.571 126.571 123.444 3.127 25660 5039 1 10 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.447 -0.076 25660 5040 1 10 . 1 1 27 27 LYS C C 27 175.781 175.781 176.272 -0.491 25660 5041 1 10 . 1 1 27 27 LYS CA C 27 55.066 55.066 55.673 -0.607 25660 5042 1 10 . 1 1 27 27 LYS CB C 27 30.731 30.731 33.157 -2.426 25660 5043 1 10 . 1 1 27 27 LYS H H 27 7.439 7.439 7.986 -0.547 25660 5044 1 10 . 1 1 28 28 THR HA H 28 4.017 4.017 4.137 -0.120 25660 5045 1 10 . 1 1 28 28 THR C C 28 174.931 174.931 174.908 0.023 25660 5046 1 10 . 1 1 28 28 THR CA C 28 67.083 67.083 64.229 2.854 25660 5047 1 10 . 1 1 28 28 THR CB C 28 69.766 69.766 68.850 0.916 25660 5048 1 10 . 1 1 29 29 GLY N N 29 106.150 106.150 107.543 -1.393 25660 5049 1 10 . 1 1 29 29 GLY C C 29 169.328 169.328 171.351 -2.023 25660 5050 1 10 . 1 1 29 29 GLY CA C 29 40.882 40.882 43.110 -2.228 25660 5051 1 10 . 1 1 29 29 GLY H H 29 7.548 7.548 7.267 0.281 25660 5052 1 10 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.641 -1.051 25660 5053 1 10 . 1 1 30 30 PRO CA C 30 60.269 60.269 62.590 -2.321 25660 5054 1 10 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.121 -2.101 25660 5055 1 10 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.537 -0.514 25660 5056 1 10 . 1 1 31 31 ASN C C 31 176.303 176.303 176.165 0.138 25660 5057 1 10 . 1 1 31 31 ASN CA C 31 54.344 54.344 53.921 0.423 25660 5058 1 10 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.004 1.781 25660 5059 1 10 . 1 1 31 31 ASN H H 31 10.198 10.198 8.539 1.659 25660 5060 1 10 . 1 1 32 32 LEU N N 32 121.653 121.653 115.237 6.416 25660 5061 1 10 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.889 -0.022 25660 5062 1 10 . 1 1 32 32 LEU C C 32 174.533 174.533 175.112 -0.579 25660 5063 1 10 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.909 -2.622 25660 5064 1 10 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.052 1.468 25660 5065 1 10 . 1 1 32 32 LEU H H 32 7.889 7.889 7.882 0.007 25660 5066 1 10 . 1 1 33 33 HIS N N 33 119.860 119.860 116.515 3.345 25660 5067 1 10 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.351 -0.644 25660 5068 1 10 . 1 1 33 33 HIS C C 33 176.992 176.992 176.234 0.758 25660 5069 1 10 . 1 1 33 33 HIS CA C 33 60.491 60.491 56.431 4.060 25660 5070 1 10 . 1 1 33 33 HIS CB C 33 28.223 28.223 29.868 -1.645 25660 5071 1 10 . 1 1 33 33 HIS H H 33 7.445 7.445 7.517 -0.072 25660 5072 1 10 . 1 1 34 34 GLY N N 34 114.645 114.645 111.594 3.051 25660 5073 1 10 . 1 1 34 34 GLY C C 34 174.473 174.473 174.683 -0.210 25660 5074 1 10 . 1 1 34 34 GLY CA C 34 45.713 45.713 46.273 -0.560 25660 5075 1 10 . 1 1 34 34 GLY H H 34 8.763 8.763 8.745 0.018 25660 5076 1 10 . 1 1 35 35 LEU N N 35 117.774 117.774 119.289 -1.515 25660 5077 1 10 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.115 -0.588 25660 5078 1 10 . 1 1 35 35 LEU C C 35 176.507 176.507 176.473 0.034 25660 5079 1 10 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.516 -0.057 25660 5080 1 10 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.653 1.155 25660 5081 1 10 . 1 1 35 35 LEU H H 35 7.010 7.010 7.452 -0.442 25660 5082 1 10 . 1 1 36 36 PHE N N 36 113.600 113.600 116.938 -3.338 25660 5083 1 10 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.632 -0.784 25660 5084 1 10 . 1 1 36 36 PHE C C 36 176.553 176.553 177.023 -0.470 25660 5085 1 10 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.617 0.085 25660 5086 1 10 . 1 1 36 36 PHE CB C 36 36.223 36.223 38.867 -2.644 25660 5087 1 10 . 1 1 36 36 PHE H H 36 8.694 8.694 7.952 0.742 25660 5088 1 10 . 1 1 37 37 GLY N N 37 112.857 112.857 113.193 -0.336 25660 5089 1 10 . 1 1 37 37 GLY C C 37 173.382 173.382 173.233 0.149 25660 5090 1 10 . 1 1 37 37 GLY CA C 37 44.455 44.455 45.146 -0.691 25660 5091 1 10 . 1 1 37 37 GLY H H 37 8.839 8.839 9.052 -0.213 25660 5092 1 10 . 1 1 38 38 ARG N N 38 124.035 124.035 118.376 5.659 25660 5093 1 10 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.733 -0.284 25660 5094 1 10 . 1 1 38 38 ARG C C 38 174.415 174.415 174.480 -0.065 25660 5095 1 10 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.112 1.652 25660 5096 1 10 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.848 -0.437 25660 5097 1 10 . 1 1 38 38 ARG H H 38 8.215 8.215 7.582 0.633 25660 5098 1 10 . 1 1 39 39 LYS N N 39 123.290 123.290 121.470 1.820 25660 5099 1 10 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.208 0.639 25660 5100 1 10 . 1 1 39 39 LYS C C 39 172.219 172.219 176.584 -4.365 25660 5101 1 10 . 1 1 39 39 LYS CA C 39 55.199 55.199 55.692 -0.493 25660 5102 1 10 . 1 1 39 39 LYS CB C 39 33.682 33.682 33.708 -0.026 25660 5103 1 10 . 1 1 39 39 LYS H H 39 8.147 8.147 8.499 -0.352 25660 5104 1 10 . 1 1 40 40 THR N N 40 113.158 113.158 114.448 -1.290 25660 5105 1 10 . 1 1 40 40 THR HA H 40 4.463 4.463 4.542 -0.079 25660 5106 1 10 . 1 1 40 40 THR C C 40 175.638 175.638 174.819 0.819 25660 5107 1 10 . 1 1 40 40 THR CA C 40 61.920 61.920 60.647 1.273 25660 5108 1 10 . 1 1 40 40 THR CB C 40 68.539 68.539 70.403 -1.864 25660 5109 1 10 . 1 1 40 40 THR H H 40 7.804 7.804 8.169 -0.365 25660 5110 1 10 . 1 1 41 41 GLY N N 41 111.811 111.811 107.250 4.561 25660 5111 1 10 . 1 1 41 41 GLY C C 41 174.720 174.720 174.529 0.191 25660 5112 1 10 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.528 -0.119 25660 5113 1 10 . 1 1 41 41 GLY H H 41 9.040 9.040 8.220 0.820 25660 5114 1 10 . 1 1 42 42 GLN N N 42 117.180 117.180 114.841 2.339 25660 5115 1 10 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.535 -0.181 25660 5116 1 10 . 1 1 42 42 GLN C C 42 175.152 175.152 174.793 0.359 25660 5117 1 10 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.205 -0.590 25660 5118 1 10 . 1 1 42 42 GLN CB C 42 28.977 28.977 30.847 -1.870 25660 5119 1 10 . 1 1 42 42 GLN H H 42 8.084 8.084 8.135 -0.051 25660 5120 1 10 . 1 1 43 43 ALA N N 43 125.825 125.825 125.107 0.718 25660 5121 1 10 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.869 -0.333 25660 5122 1 10 . 1 1 43 43 ALA C C 43 175.308 175.308 175.542 -0.234 25660 5123 1 10 . 1 1 43 43 ALA CA C 43 49.991 49.991 49.550 0.441 25660 5124 1 10 . 1 1 43 43 ALA CB C 43 18.488 18.488 19.541 -1.053 25660 5125 1 10 . 1 1 43 43 ALA H H 43 8.063 8.063 8.073 -0.010 25660 5126 1 10 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.276 0.080 25660 5127 1 10 . 1 1 44 44 PRO C C 44 178.294 178.294 177.405 0.889 25660 5128 1 10 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.310 -0.854 25660 5129 1 10 . 1 1 44 44 PRO CB C 44 31.514 31.514 32.123 -0.609 25660 5130 1 10 . 1 1 45 45 GLY N N 45 112.024 112.024 106.940 5.084 25660 5131 1 10 . 1 1 45 45 GLY C C 45 173.301 173.301 173.466 -0.165 25660 5132 1 10 . 1 1 45 45 GLY CA C 45 45.350 45.350 44.855 0.495 25660 5133 1 10 . 1 1 45 45 GLY H H 45 8.831 8.831 8.374 0.457 25660 5134 1 10 . 1 1 46 46 TYR N N 46 120.307 120.307 120.143 0.164 25660 5135 1 10 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.757 -0.565 25660 5136 1 10 . 1 1 46 46 TYR C C 46 174.910 174.910 174.876 0.034 25660 5137 1 10 . 1 1 46 46 TYR CA C 46 57.515 57.515 56.863 0.652 25660 5138 1 10 . 1 1 46 46 TYR CB C 46 39.539 39.539 39.954 -0.415 25660 5139 1 10 . 1 1 46 46 TYR H H 46 7.661 7.661 7.454 0.207 25660 5140 1 10 . 1 1 50 50 ALA N N 50 125.381 125.381 129.219 -3.838 25660 5141 1 10 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.612 -0.446 25660 5142 1 10 . 1 1 50 50 ALA C C 50 178.430 178.430 178.415 0.015 25660 5143 1 10 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.325 0.488 25660 5144 1 10 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.271 -1.329 25660 5145 1 10 . 1 1 50 50 ALA H H 50 8.507 8.507 8.593 -0.086 25660 5146 1 10 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.937 0.056 25660 5147 1 10 . 1 1 51 51 ALA C C 51 178.634 178.634 179.430 -0.796 25660 5148 1 10 . 1 1 51 51 ALA CA C 51 53.932 53.932 55.118 -1.186 25660 5149 1 10 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.355 -0.106 25660 5150 1 10 . 1 1 52 52 ASN N N 52 117.178 117.178 115.370 1.808 25660 5151 1 10 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.507 -0.178 25660 5152 1 10 . 1 1 52 52 ASN C C 52 176.255 176.255 176.932 -0.677 25660 5153 1 10 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.760 0.009 25660 5154 1 10 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.325 0.928 25660 5155 1 10 . 1 1 52 52 ASN H H 52 8.286 8.286 8.030 0.256 25660 5156 1 10 . 1 1 53 53 LYS N N 53 120.164 120.164 118.490 1.674 25660 5157 1 10 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.129 -0.401 25660 5158 1 10 . 1 1 53 53 LYS C C 53 177.676 177.676 177.016 0.660 25660 5159 1 10 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.571 -0.169 25660 5160 1 10 . 1 1 53 53 LYS CB C 53 32.296 32.296 32.623 -0.327 25660 5161 1 10 . 1 1 53 53 LYS H H 53 8.152 8.152 7.360 0.792 25660 5162 1 10 . 1 1 54 54 ASN N N 54 116.286 116.286 115.327 0.959 25660 5163 1 10 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.740 -0.351 25660 5164 1 10 . 1 1 54 54 ASN C C 54 175.501 175.501 175.525 -0.024 25660 5165 1 10 . 1 1 54 54 ASN CA C 54 53.488 53.488 54.128 -0.640 25660 5166 1 10 . 1 1 54 54 ASN CB C 54 38.101 38.101 40.808 -2.707 25660 5167 1 10 . 1 1 54 54 ASN H H 54 8.553 8.553 7.939 0.614 25660 5168 1 10 . 1 1 55 55 LYS N N 55 121.354 121.354 120.790 0.564 25660 5169 1 10 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.359 -0.327 25660 5170 1 10 . 1 1 55 55 LYS C C 55 177.422 177.422 176.152 1.270 25660 5171 1 10 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.158 1.660 25660 5172 1 10 . 1 1 55 55 LYS CB C 55 31.536 31.536 33.134 -1.598 25660 5173 1 10 . 1 1 55 55 LYS H H 55 7.634 7.634 7.995 -0.361 25660 5174 1 10 . 1 1 56 56 GLY CA C 56 46.052 46.052 44.521 1.531 25660 5175 1 10 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.508 -0.466 25660 5176 1 10 . 1 1 57 57 ILE C C 57 173.923 173.923 176.812 -2.889 25660 5177 1 10 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.567 -0.946 25660 5178 1 10 . 1 1 57 57 ILE CB C 57 38.366 38.366 39.456 -1.090 25660 5179 1 10 . 1 1 58 58 ILE N N 58 121.053 121.053 115.084 5.969 25660 5180 1 10 . 1 1 58 58 ILE HA H 58 4.082 4.082 3.732 0.350 25660 5181 1 10 . 1 1 58 58 ILE C C 58 177.495 177.495 175.775 1.720 25660 5182 1 10 . 1 1 58 58 ILE CA C 58 58.867 58.867 62.125 -3.258 25660 5183 1 10 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.139 0.365 25660 5184 1 10 . 1 1 58 58 ILE H H 58 7.988 7.988 7.995 -0.007 25660 5185 1 10 . 1 1 59 59 TRP N N 59 130.896 130.896 121.081 9.815 25660 5186 1 10 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.595 0.234 25660 5187 1 10 . 1 1 59 59 TRP C C 59 175.793 175.793 176.058 -0.265 25660 5188 1 10 . 1 1 59 59 TRP CA C 59 57.229 57.229 56.671 0.558 25660 5189 1 10 . 1 1 59 59 TRP CB C 59 29.908 29.908 29.067 0.841 25660 5190 1 10 . 1 1 59 59 TRP H H 59 8.931 8.931 8.233 0.698 25660 5191 1 10 . 1 1 60 60 GLY N N 60 111.218 111.218 109.716 1.502 25660 5192 1 10 . 1 1 60 60 GLY C C 60 171.636 171.636 173.369 -1.733 25660 5193 1 10 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.210 -0.996 25660 5194 1 10 . 1 1 60 60 GLY H H 60 7.839 7.839 8.541 -0.702 25660 5195 1 10 . 1 1 61 61 GLU N N 61 120.606 120.606 118.615 1.991 25660 5196 1 10 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.243 -0.385 25660 5197 1 10 . 1 1 61 61 GLU C C 61 177.011 177.011 176.920 0.091 25660 5198 1 10 . 1 1 61 61 GLU CA C 61 62.088 62.088 58.738 3.350 25660 5199 1 10 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.834 -0.470 25660 5200 1 10 . 1 1 61 61 GLU H H 61 9.619 9.619 8.831 0.788 25660 5201 1 10 . 1 1 62 62 ASP N N 62 114.943 114.943 116.944 -2.001 25660 5202 1 10 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.571 -0.237 25660 5203 1 10 . 1 1 62 62 ASP C C 62 179.228 179.228 177.495 1.733 25660 5204 1 10 . 1 1 62 62 ASP CA C 62 57.208 57.208 56.497 0.711 25660 5205 1 10 . 1 1 62 62 ASP CB C 62 39.477 39.477 41.066 -1.589 25660 5206 1 10 . 1 1 62 62 ASP H H 62 8.396 8.396 8.213 0.183 25660 5207 1 10 . 1 1 63 63 THR N N 63 112.857 112.857 112.635 0.222 25660 5208 1 10 . 1 1 63 63 THR HA H 63 4.116 4.116 3.942 0.174 25660 5209 1 10 . 1 1 63 63 THR C C 63 177.971 177.971 176.046 1.925 25660 5210 1 10 . 1 1 63 63 THR CA C 63 63.601 63.601 64.637 -1.036 25660 5211 1 10 . 1 1 63 63 THR CB C 63 68.918 68.918 68.451 0.467 25660 5212 1 10 . 1 1 63 63 THR H H 63 8.246 8.246 7.686 0.560 25660 5213 1 10 . 1 1 64 64 LEU N N 64 121.355 121.355 122.729 -1.374 25660 5214 1 10 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.093 0.140 25660 5215 1 10 . 1 1 64 64 LEU C C 64 178.628 178.628 178.832 -0.204 25660 5216 1 10 . 1 1 64 64 LEU CA C 64 58.314 58.314 58.056 0.258 25660 5217 1 10 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.360 0.995 25660 5218 1 10 . 1 1 64 64 LEU H H 64 8.809 8.809 8.215 0.594 25660 5219 1 10 . 1 1 65 65 MET N N 65 118.519 118.519 118.365 0.154 25660 5220 1 10 . 1 1 65 65 MET HA H 65 3.896 3.896 4.127 -0.231 25660 5221 1 10 . 1 1 65 65 MET C C 65 177.782 177.782 177.694 0.088 25660 5222 1 10 . 1 1 65 65 MET CA C 65 57.910 57.910 59.264 -1.355 25660 5223 1 10 . 1 1 65 65 MET CB C 65 31.019 31.019 32.495 -1.476 25660 5224 1 10 . 1 1 65 65 MET H H 65 7.934 7.934 8.196 -0.262 25660 5225 1 10 . 1 1 66 66 GLU N N 66 117.027 117.027 119.457 -2.430 25660 5226 1 10 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.076 -0.118 25660 5227 1 10 . 1 1 66 66 GLU C C 66 178.928 178.928 178.655 0.273 25660 5228 1 10 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.881 -0.778 25660 5229 1 10 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.044 0.632 25660 5230 1 10 . 1 1 66 66 GLU H H 66 6.795 6.795 7.875 -1.080 25660 5231 1 10 . 1 1 67 67 TYR N N 67 120.608 120.608 122.032 -1.424 25660 5232 1 10 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.345 -0.844 25660 5233 1 10 . 1 1 67 67 TYR C C 67 176.312 176.312 177.457 -1.145 25660 5234 1 10 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.374 -1.463 25660 5235 1 10 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.897 1.221 25660 5236 1 10 . 1 1 67 67 TYR H H 67 8.170 8.170 8.152 0.018 25660 5237 1 10 . 1 1 68 68 LEU N N 68 109.278 109.278 116.817 -7.539 25660 5238 1 10 . 1 1 68 68 LEU HA H 68 2.986 2.986 4.110 -1.124 25660 5239 1 10 . 1 1 68 68 LEU C C 68 176.652 176.652 178.260 -1.608 25660 5240 1 10 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.494 -1.283 25660 5241 1 10 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.650 -0.462 25660 5242 1 10 . 1 1 68 68 LEU H H 68 8.108 8.108 8.429 -0.321 25660 5243 1 10 . 1 1 69 69 GLU N N 69 119.118 119.118 120.567 -1.449 25660 5244 1 10 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.211 -0.351 25660 5245 1 10 . 1 1 69 69 GLU C C 69 176.033 176.033 176.228 -0.195 25660 5246 1 10 . 1 1 69 69 GLU CA C 69 58.526 58.526 58.674 -0.148 25660 5247 1 10 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.721 -1.172 25660 5248 1 10 . 1 1 69 69 GLU H H 69 6.783 6.783 7.853 -1.070 25660 5249 1 10 . 1 1 70 70 ASN N N 70 105.553 105.553 113.159 -7.606 25660 5250 1 10 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.416 -1.285 25660 5251 1 10 . 1 1 70 70 ASN C C 70 172.247 172.247 173.356 -1.109 25660 5252 1 10 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.775 -0.410 25660 5253 1 10 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.629 -1.832 25660 5254 1 10 . 1 1 70 70 ASN H H 70 6.092 6.092 7.751 -1.659 25660 5255 1 10 . 1 1 71 71 PRO HA H 71 3.517 3.517 4.171 -0.654 25660 5256 1 10 . 1 1 71 71 PRO C C 71 176.414 176.414 177.657 -1.243 25660 5257 1 10 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.229 0.443 25660 5258 1 10 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.589 -1.654 25660 5259 1 10 . 1 1 72 72 LYS N N 72 113.454 113.454 115.921 -2.467 25660 5260 1 10 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.499 -0.784 25660 5261 1 10 . 1 1 72 72 LYS C C 72 177.234 177.234 178.611 -1.377 25660 5262 1 10 . 1 1 72 72 LYS CA C 72 57.046 57.046 57.767 -0.720 25660 5263 1 10 . 1 1 72 72 LYS CB C 72 31.565 31.565 30.684 0.881 25660 5264 1 10 . 1 1 72 72 LYS H H 72 7.457 7.457 8.564 -1.107 25660 5265 1 10 . 1 1 73 73 LYS N N 73 118.522 118.522 120.347 -1.825 25660 5266 1 10 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.237 -0.447 25660 5267 1 10 . 1 1 73 73 LYS C C 73 176.890 176.890 177.620 -0.730 25660 5268 1 10 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.568 -1.161 25660 5269 1 10 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.603 0.296 25660 5270 1 10 . 1 1 73 73 LYS H H 73 6.855 6.855 7.829 -0.974 25660 5271 1 10 . 1 1 74 74 TYR N N 74 118.674 118.674 118.552 0.122 25660 5272 1 10 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.449 -0.218 25660 5273 1 10 . 1 1 74 74 TYR C C 74 175.794 175.794 175.327 0.467 25660 5274 1 10 . 1 1 74 74 TYR CA C 74 60.721 60.721 60.112 0.609 25660 5275 1 10 . 1 1 74 74 TYR CB C 74 39.536 39.536 40.053 -0.518 25660 5276 1 10 . 1 1 74 74 TYR H H 74 7.219 7.219 7.694 -0.475 25660 5277 1 10 . 1 1 75 75 ILE N N 75 114.346 114.346 116.694 -2.348 25660 5278 1 10 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.639 -0.572 25660 5279 1 10 . 1 1 75 75 ILE C C 75 179.773 179.773 173.769 6.004 25660 5280 1 10 . 1 1 75 75 ILE CA C 75 58.474 58.474 57.035 1.439 25660 5281 1 10 . 1 1 75 75 ILE CB C 75 37.615 37.615 39.562 -1.947 25660 5282 1 10 . 1 1 75 75 ILE H H 75 8.189 8.189 8.287 -0.098 25660 5283 1 10 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.824 -0.347 25660 5284 1 10 . 1 1 76 76 PRO C C 76 178.583 178.583 176.521 2.062 25660 5285 1 10 . 1 1 76 76 PRO CA C 76 64.021 64.021 63.513 0.508 25660 5286 1 10 . 1 1 76 76 PRO CB C 76 31.137 31.137 32.244 -1.107 25660 5287 1 10 . 1 1 77 77 GLY N N 77 108.831 108.831 107.559 1.272 25660 5288 1 10 . 1 1 77 77 GLY C C 77 174.866 174.866 172.931 1.935 25660 5289 1 10 . 1 1 77 77 GLY CA C 77 44.314 44.314 44.921 -0.607 25660 5290 1 10 . 1 1 77 77 GLY H H 77 8.563 8.563 7.662 0.901 25660 5291 1 10 . 1 1 78 78 THR N N 78 115.541 115.541 114.652 0.889 25660 5292 1 10 . 1 1 78 78 THR HA H 78 4.226 4.226 4.557 -0.331 25660 5293 1 10 . 1 1 78 78 THR C C 78 173.114 173.114 174.291 -1.177 25660 5294 1 10 . 1 1 78 78 THR CA C 78 61.759 61.759 60.938 0.821 25660 5295 1 10 . 1 1 78 78 THR CB C 78 67.910 67.910 70.703 -2.793 25660 5296 1 10 . 1 1 78 78 THR H H 78 7.922 7.922 7.851 0.071 25660 5297 1 10 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.467 -0.086 25660 5298 1 10 . 1 1 79 79 LYS C C 79 175.845 175.845 176.722 -0.877 25660 5299 1 10 . 1 1 79 79 LYS CA C 79 55.526 55.526 55.660 -0.134 25660 5300 1 10 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.540 -0.237 25660 5301 1 10 . 1 1 80 80 MET N N 80 123.515 123.515 122.513 1.002 25660 5302 1 10 . 1 1 80 80 MET HA H 80 2.934 2.934 4.379 -1.445 25660 5303 1 10 . 1 1 80 80 MET C C 80 171.833 171.833 175.009 -3.176 25660 5304 1 10 . 1 1 80 80 MET CA C 80 55.863 55.863 55.047 0.816 25660 5305 1 10 . 1 1 80 80 MET CB C 80 27.552 27.552 31.714 -4.162 25660 5306 1 10 . 1 1 80 80 MET H H 80 7.384 7.384 7.773 -0.389 25660 5307 1 10 . 1 1 81 81 ILE N N 81 130.146 130.146 128.640 1.506 25660 5308 1 10 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.223 -0.739 25660 5309 1 10 . 1 1 81 81 ILE C C 81 173.220 173.220 175.516 -2.296 25660 5310 1 10 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.542 -1.257 25660 5311 1 10 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.540 -0.928 25660 5312 1 10 . 1 1 81 81 ILE H H 81 7.856 7.856 8.253 -0.397 25660 5313 1 10 . 1 1 82 82 PHE N N 82 123.143 123.143 127.978 -4.835 25660 5314 1 10 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.770 -0.443 25660 5315 1 10 . 1 1 82 82 PHE C C 82 174.333 174.333 173.871 0.462 25660 5316 1 10 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.213 -0.635 25660 5317 1 10 . 1 1 82 82 PHE CB C 82 40.644 40.644 43.005 -2.361 25660 5318 1 10 . 1 1 82 82 PHE H H 82 6.529 6.529 7.860 -1.331 25660 5319 1 10 . 1 1 83 83 VAL N N 83 125.079 125.079 124.351 0.728 25660 5320 1 10 . 1 1 83 83 VAL HA H 83 3.286 3.286 4.017 -0.731 25660 5321 1 10 . 1 1 83 83 VAL C C 83 174.444 174.444 175.713 -1.269 25660 5322 1 10 . 1 1 83 83 VAL CA C 83 64.273 64.273 62.686 1.587 25660 5323 1 10 . 1 1 83 83 VAL CB C 83 31.352 31.352 32.144 -0.792 25660 5324 1 10 . 1 1 83 83 VAL H H 83 7.739 7.739 7.944 -0.204 25660 5325 1 10 . 1 1 84 84 GLY C C 84 172.113 172.113 172.968 -0.855 25660 5326 1 10 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.657 -1.821 25660 5327 1 10 . 1 1 85 85 ILE N N 85 120.758 120.758 121.473 -0.715 25660 5328 1 10 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.476 -0.340 25660 5329 1 10 . 1 1 85 85 ILE C C 85 175.103 175.103 175.792 -0.689 25660 5330 1 10 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.654 -1.264 25660 5331 1 10 . 1 1 85 85 ILE CB C 85 39.528 39.528 39.435 0.093 25660 5332 1 10 . 1 1 85 85 ILE H H 85 8.327 8.327 8.835 -0.508 25660 5333 1 10 . 1 1 86 86 LYS N N 86 127.466 127.466 128.052 -0.586 25660 5334 1 10 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.220 -0.248 25660 5335 1 10 . 1 1 86 86 LYS C C 86 178.442 178.442 176.989 1.453 25660 5336 1 10 . 1 1 86 86 LYS CA C 86 58.619 58.619 57.452 1.167 25660 5337 1 10 . 1 1 86 86 LYS CB C 86 32.343 32.343 33.004 -0.661 25660 5338 1 10 . 1 1 86 86 LYS H H 86 8.518 8.518 8.753 -0.235 25660 5339 1 10 . 1 1 87 87 LYS N N 87 120.309 120.309 121.064 -0.755 25660 5340 1 10 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.260 -0.013 25660 5341 1 10 . 1 1 87 87 LYS C C 87 177.569 177.569 177.769 -0.200 25660 5342 1 10 . 1 1 87 87 LYS CA C 87 56.865 56.865 56.338 0.527 25660 5343 1 10 . 1 1 87 87 LYS CB C 87 32.531 32.531 32.917 -0.386 25660 5344 1 10 . 1 1 87 87 LYS H H 87 8.368 8.368 8.282 0.086 25660 5345 1 10 . 1 1 88 88 LYS N N 88 129.999 129.999 124.709 5.290 25660 5346 1 10 . 1 1 88 88 LYS HA H 88 3.562 3.562 4.030 -0.468 25660 5347 1 10 . 1 1 88 88 LYS C C 88 177.664 177.664 178.669 -1.005 25660 5348 1 10 . 1 1 88 88 LYS CA C 88 60.314 60.314 59.414 0.900 25660 5349 1 10 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.612 -0.529 25660 5350 1 10 . 1 1 88 88 LYS H H 88 9.151 9.151 8.847 0.304 25660 5351 1 10 . 1 1 89 89 GLU N N 89 117.925 117.925 119.687 -1.762 25660 5352 1 10 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.023 -0.124 25660 5353 1 10 . 1 1 89 89 GLU C C 89 177.911 177.911 178.415 -0.504 25660 5354 1 10 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.384 0.376 25660 5355 1 10 . 1 1 89 89 GLU CB C 89 28.814 28.814 29.385 -0.571 25660 5356 1 10 . 1 1 89 89 GLU H H 89 9.462 9.462 8.664 0.798 25660 5357 1 10 . 1 1 90 90 GLU N N 90 116.437 116.437 118.360 -1.923 25660 5358 1 10 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.029 0.169 25660 5359 1 10 . 1 1 90 90 GLU C C 90 178.730 178.730 179.275 -0.545 25660 5360 1 10 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.666 -1.389 25660 5361 1 10 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.419 0.571 25660 5362 1 10 . 1 1 90 90 GLU H H 90 6.347 6.347 8.583 -2.236 25660 5363 1 10 . 1 1 91 91 ARG N N 91 117.405 117.405 118.021 -0.616 25660 5364 1 10 . 1 1 91 91 ARG HA H 91 3.740 3.740 4.060 -0.320 25660 5365 1 10 . 1 1 91 91 ARG C C 91 177.430 177.430 178.463 -1.033 25660 5366 1 10 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.591 1.591 25660 5367 1 10 . 1 1 91 91 ARG CB C 91 31.106 31.106 29.997 1.109 25660 5368 1 10 . 1 1 91 91 ARG H H 91 7.423 7.423 7.815 -0.392 25660 5369 1 10 . 1 1 92 92 ALA N N 92 120.161 120.161 121.757 -1.596 25660 5370 1 10 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.215 -0.245 25660 5371 1 10 . 1 1 92 92 ALA C C 92 181.044 181.044 179.313 1.731 25660 5372 1 10 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.670 0.611 25660 5373 1 10 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.575 -1.036 25660 5374 1 10 . 1 1 92 92 ALA H H 92 8.668 8.668 7.673 0.995 25660 5375 1 10 . 1 1 93 93 ASP N N 93 122.101 122.101 120.497 1.604 25660 5376 1 10 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.503 -0.295 25660 5377 1 10 . 1 1 93 93 ASP C C 93 177.634 177.634 178.357 -0.723 25660 5378 1 10 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.617 0.530 25660 5379 1 10 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.886 -1.334 25660 5380 1 10 . 1 1 93 93 ASP H H 93 8.153 8.153 7.880 0.273 25660 5381 1 10 . 1 1 94 94 LEU N N 94 121.208 121.208 122.675 -1.467 25660 5382 1 10 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.124 0.081 25660 5383 1 10 . 1 1 94 94 LEU C C 94 178.395 178.395 178.848 -0.453 25660 5384 1 10 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.289 0.006 25660 5385 1 10 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.237 -0.526 25660 5386 1 10 . 1 1 94 94 LEU H H 94 8.183 8.183 8.498 -0.315 25660 5387 1 10 . 1 1 95 95 ILE N N 95 120.159 120.159 118.262 1.897 25660 5388 1 10 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.699 -0.090 25660 5389 1 10 . 1 1 95 95 ILE C C 95 176.351 176.351 177.565 -1.214 25660 5390 1 10 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.443 0.779 25660 5391 1 10 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.678 -0.011 25660 5392 1 10 . 1 1 95 95 ILE H H 95 8.974 8.974 8.448 0.526 25660 5393 1 10 . 1 1 96 96 ALA N N 96 123.001 123.001 122.597 0.404 25660 5394 1 10 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.958 0.068 25660 5395 1 10 . 1 1 96 96 ALA C C 96 180.700 180.700 179.410 1.290 25660 5396 1 10 . 1 1 96 96 ALA CA C 96 54.933 54.933 55.030 -0.097 25660 5397 1 10 . 1 1 96 96 ALA CB C 96 16.970 16.970 17.909 -0.939 25660 5398 1 10 . 1 1 96 96 ALA H H 96 7.974 7.974 7.523 0.451 25660 5399 1 10 . 1 1 97 97 TYR N N 97 118.224 118.224 120.150 -1.926 25660 5400 1 10 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.072 0.125 25660 5401 1 10 . 1 1 97 97 TYR C C 97 176.278 176.278 177.464 -1.186 25660 5402 1 10 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.975 1.481 25660 5403 1 10 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.218 -1.275 25660 5404 1 10 . 1 1 97 97 TYR H H 97 8.089 8.089 8.446 -0.357 25660 5405 1 10 . 1 1 98 98 LEU N N 98 119.118 119.118 118.753 0.365 25660 5406 1 10 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.364 -0.030 25660 5407 1 10 . 1 1 98 98 LEU C C 98 179.188 179.188 178.748 0.440 25660 5408 1 10 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.548 0.102 25660 5409 1 10 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.169 0.476 25660 5410 1 10 . 1 1 98 98 LEU H H 98 8.982 8.982 8.611 0.371 25660 5411 1 10 . 1 1 99 99 LYS N N 99 123.889 123.889 119.309 4.580 25660 5412 1 10 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.446 -0.897 25660 5413 1 10 . 1 1 99 99 LYS C C 99 176.653 176.653 178.082 -1.429 25660 5414 1 10 . 1 1 99 99 LYS CA C 99 59.190 59.190 58.808 0.382 25660 5415 1 10 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.788 0.081 25660 5416 1 10 . 1 1 99 99 LYS H H 99 8.945 8.945 7.960 0.985 25660 5417 1 10 . 1 1 100 100 LYS N N 100 116.726 116.726 118.159 -1.433 25660 5418 1 10 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.058 -0.082 25660 5419 1 10 . 1 1 100 100 LYS C C 100 178.363 178.363 177.087 1.276 25660 5420 1 10 . 1 1 100 100 LYS CA C 100 57.655 57.655 57.957 -0.302 25660 5421 1 10 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.651 0.524 25660 5422 1 10 . 1 1 100 100 LYS H H 100 6.724 6.724 7.449 -0.725 25660 5423 1 10 . 1 1 101 101 ALA N N 101 119.416 119.416 117.166 2.250 25660 5424 1 10 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.432 -0.637 25660 5425 1 10 . 1 1 101 101 ALA C C 101 179.576 179.576 179.812 -0.236 25660 5426 1 10 . 1 1 101 101 ALA CA C 101 54.401 54.401 53.897 0.504 25660 5427 1 10 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.013 -0.660 25660 5428 1 10 . 1 1 101 101 ALA H H 101 8.539 8.539 7.796 0.743 25660 5429 1 10 . 1 1 102 102 THR N N 102 101.974 101.974 111.743 -9.769 25660 5430 1 10 . 1 1 102 102 THR HA H 102 4.157 4.157 3.924 0.233 25660 5431 1 10 . 1 1 102 102 THR C C 102 172.872 172.872 175.254 -2.382 25660 5432 1 10 . 1 1 102 102 THR CA C 102 61.954 61.954 64.438 -2.484 25660 5433 1 10 . 1 1 102 102 THR CB C 102 69.403 69.403 68.597 0.806 25660 5434 1 10 . 1 1 102 102 THR H H 102 7.810 7.810 8.125 -0.315 25660 5435 1 10 . 1 1 103 103 ASN N N 103 118.372 118.372 117.240 1.132 25660 5436 1 10 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.740 0.027 25660 5437 1 10 . 1 1 103 103 ASN C C 103 173.663 173.663 175.459 -1.796 25660 5438 1 10 . 1 1 103 103 ASN CA C 103 52.469 52.469 52.539 -0.070 25660 5439 1 10 . 1 1 103 103 ASN CB C 103 41.376 41.376 39.011 2.365 25660 5440 1 10 . 1 1 103 103 ASN H H 103 6.968 6.968 8.115 -1.147 25660 5441 1 11 . 1 1 2 2 ASP N N 2 124.691 124.691 117.732 6.959 25660 5442 1 11 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.931 -0.156 25660 5443 1 11 . 1 1 2 2 ASP C C 2 175.662 175.662 175.867 -0.205 25660 5444 1 11 . 1 1 2 2 ASP CA C 2 52.772 52.772 53.029 -0.257 25660 5445 1 11 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.296 -0.983 25660 5446 1 11 . 1 1 2 2 ASP H H 2 9.541 9.541 9.129 0.412 25660 5447 1 11 . 1 1 3 3 VAL N N 3 123.739 123.739 118.630 5.109 25660 5448 1 11 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.885 -0.335 25660 5449 1 11 . 1 1 3 3 VAL C C 3 177.302 177.302 177.748 -0.446 25660 5450 1 11 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.737 0.208 25660 5451 1 11 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.280 -0.315 25660 5452 1 11 . 1 1 3 3 VAL H H 3 8.569 8.569 8.363 0.206 25660 5453 1 11 . 1 1 4 4 GLU N N 4 120.310 120.310 120.060 0.250 25660 5454 1 11 . 1 1 4 4 GLU HA H 4 4.008 4.008 3.912 0.096 25660 5455 1 11 . 1 1 4 4 GLU C C 4 180.515 180.515 179.115 1.400 25660 5456 1 11 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.624 -0.661 25660 5457 1 11 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.201 -0.722 25660 5458 1 11 . 1 1 4 4 GLU H H 4 8.083 8.083 8.381 -0.298 25660 5459 1 11 . 1 1 5 5 LYS N N 5 121.058 121.058 117.881 3.177 25660 5460 1 11 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.093 -0.194 25660 5461 1 11 . 1 1 5 5 LYS C C 5 180.515 180.515 179.038 1.477 25660 5462 1 11 . 1 1 5 5 LYS CA C 5 59.459 59.459 57.950 1.509 25660 5463 1 11 . 1 1 5 5 LYS CB C 5 32.454 32.454 31.992 0.462 25660 5464 1 11 . 1 1 5 5 LYS H H 5 8.096 8.096 7.557 0.539 25660 5465 1 11 . 1 1 6 6 GLY N N 6 107.193 107.193 106.945 0.248 25660 5466 1 11 . 1 1 6 6 GLY C C 6 174.012 174.012 175.814 -1.802 25660 5467 1 11 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.483 -0.004 25660 5468 1 11 . 1 1 6 6 GLY H H 6 8.709 8.709 8.049 0.660 25660 5469 1 11 . 1 1 7 7 LYS N N 7 124.124 124.124 120.834 3.290 25660 5470 1 11 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.027 -0.867 25660 5471 1 11 . 1 1 7 7 LYS C C 7 177.457 177.457 178.512 -1.055 25660 5472 1 11 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.835 -0.783 25660 5473 1 11 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.859 0.246 25660 5474 1 11 . 1 1 7 7 LYS H H 7 8.039 8.039 8.006 0.033 25660 5475 1 11 . 1 1 8 8 LYS N N 8 116.732 116.732 117.570 -0.838 25660 5476 1 11 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.087 -0.272 25660 5477 1 11 . 1 1 8 8 LYS C C 8 179.228 179.228 178.903 0.325 25660 5478 1 11 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.638 0.684 25660 5479 1 11 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.744 0.071 25660 5480 1 11 . 1 1 8 8 LYS H H 8 6.958 6.958 7.791 -0.833 25660 5481 1 11 . 1 1 9 9 ILE N N 9 119.269 119.269 119.705 -0.436 25660 5482 1 11 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.971 -0.252 25660 5483 1 11 . 1 1 9 9 ILE C C 9 177.006 177.006 177.796 -0.790 25660 5484 1 11 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.274 2.831 25660 5485 1 11 . 1 1 9 9 ILE CB C 9 37.562 37.562 37.077 0.485 25660 5486 1 11 . 1 1 9 9 ILE H H 9 7.681 7.681 7.532 0.149 25660 5487 1 11 . 1 1 10 10 PHE N N 10 120.908 120.908 122.372 -1.464 25660 5488 1 11 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.350 -0.377 25660 5489 1 11 . 1 1 10 10 PHE C C 10 178.820 178.820 177.866 0.954 25660 5490 1 11 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.898 0.266 25660 5491 1 11 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.482 -0.105 25660 5492 1 11 . 1 1 10 10 PHE H H 10 8.635 8.635 7.781 0.854 25660 5493 1 11 . 1 1 11 11 ILE N N 11 121.053 121.053 118.435 2.618 25660 5494 1 11 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.674 -0.358 25660 5495 1 11 . 1 1 11 11 ILE C C 11 178.867 178.867 177.711 1.156 25660 5496 1 11 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.868 0.754 25660 5497 1 11 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.889 -0.272 25660 5498 1 11 . 1 1 11 11 ILE H H 11 8.834 8.834 8.483 0.351 25660 5499 1 11 . 1 1 12 12 MET N N 12 117.328 117.328 119.696 -2.368 25660 5500 1 11 . 1 1 12 12 MET HA H 12 4.219 4.219 4.221 -0.002 25660 5501 1 11 . 1 1 12 12 MET C C 12 177.972 177.972 177.512 0.460 25660 5502 1 11 . 1 1 12 12 MET CA C 12 58.560 58.560 58.516 0.044 25660 5503 1 11 . 1 1 12 12 MET CB C 12 33.675 33.675 33.349 0.326 25660 5504 1 11 . 1 1 12 12 MET H H 12 8.047 8.047 7.631 0.416 25660 5505 1 11 . 1 1 13 13 LYS N N 13 113.452 113.452 114.867 -1.415 25660 5506 1 11 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.509 0.426 25660 5507 1 11 . 1 1 13 13 LYS C C 13 177.353 177.353 177.289 0.064 25660 5508 1 11 . 1 1 13 13 LYS CA C 13 57.260 57.260 56.977 0.283 25660 5509 1 11 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.469 0.730 25660 5510 1 11 . 1 1 13 13 LYS H H 13 9.016 9.016 7.889 1.127 25660 5511 1 11 . 1 1 14 14 CYS N N 14 115.390 115.390 117.769 -2.379 25660 5512 1 11 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.619 0.677 25660 5513 1 11 . 1 1 14 14 CYS C C 14 177.723 177.723 175.630 2.093 25660 5514 1 11 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.592 -5.473 25660 5515 1 11 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.989 7.795 25660 5516 1 11 . 1 1 14 14 CYS H H 14 8.130 8.130 8.578 -0.448 25660 5517 1 11 . 1 1 15 15 SER N N 15 114.347 114.347 117.607 -3.260 25660 5518 1 11 . 1 1 15 15 SER HA H 15 3.768 3.768 4.277 -0.509 25660 5519 1 11 . 1 1 15 15 SER C C 15 174.272 174.272 175.762 -1.490 25660 5520 1 11 . 1 1 15 15 SER CA C 15 60.587 60.587 61.645 -1.058 25660 5521 1 11 . 1 1 15 15 SER CB C 15 62.483 62.483 63.309 -0.826 25660 5522 1 11 . 1 1 15 15 SER H H 15 7.297 7.297 8.076 -0.779 25660 5523 1 11 . 1 1 16 16 GLN N N 16 120.608 120.608 117.531 3.077 25660 5524 1 11 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.237 -0.328 25660 5525 1 11 . 1 1 16 16 GLN C C 16 176.559 176.559 176.387 0.172 25660 5526 1 11 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.760 0.178 25660 5527 1 11 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.496 -0.596 25660 5528 1 11 . 1 1 16 16 GLN H H 16 8.879 8.879 8.552 0.327 25660 5529 1 11 . 1 1 17 17 CYS N N 17 112.857 112.857 114.903 -2.046 25660 5530 1 11 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.561 -0.477 25660 5531 1 11 . 1 1 17 17 CYS C C 17 171.419 171.419 174.235 -2.816 25660 5532 1 11 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.345 -5.378 25660 5533 1 11 . 1 1 17 17 CYS CB C 17 38.172 38.172 30.134 8.038 25660 5534 1 11 . 1 1 17 17 CYS H H 17 6.805 6.805 7.685 -0.880 25660 5535 1 11 . 1 1 18 18 HIS N N 18 113.603 113.603 119.282 -5.679 25660 5536 1 11 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.415 -1.793 25660 5537 1 11 . 1 1 18 18 HIS CA C 18 53.514 53.514 55.355 -1.841 25660 5538 1 11 . 1 1 18 18 HIS CB C 18 31.916 31.916 32.500 -0.584 25660 5539 1 11 . 1 1 18 18 HIS H H 18 6.223 6.223 8.206 -1.983 25660 5540 1 11 . 1 1 19 19 THR N N 19 109.280 109.280 114.102 -4.822 25660 5541 1 11 . 1 1 19 19 THR HA H 19 4.413 4.413 4.859 -0.446 25660 5542 1 11 . 1 1 19 19 THR C C 19 174.026 174.026 174.475 -0.449 25660 5543 1 11 . 1 1 19 19 THR CA C 19 58.557 58.557 62.250 -3.693 25660 5544 1 11 . 1 1 19 19 THR CB C 19 71.176 71.176 70.443 0.733 25660 5545 1 11 . 1 1 19 19 THR H H 19 7.636 7.636 8.486 -0.850 25660 5546 1 11 . 1 1 20 20 VAL N N 20 110.620 110.620 123.012 -12.392 25660 5547 1 11 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.730 -0.965 25660 5548 1 11 . 1 1 20 20 VAL C C 20 173.470 173.470 175.478 -2.008 25660 5549 1 11 . 1 1 20 20 VAL CA C 20 60.794 60.794 61.038 -0.244 25660 5550 1 11 . 1 1 20 20 VAL CB C 20 33.427 33.427 30.378 3.049 25660 5551 1 11 . 1 1 20 20 VAL H H 20 7.675 7.675 8.835 -1.160 25660 5552 1 11 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.551 -0.417 25660 5553 1 11 . 1 1 21 21 GLU C C 21 177.538 177.538 175.538 2.000 25660 5554 1 11 . 1 1 21 21 GLU CA C 21 56.452 56.452 54.224 2.228 25660 5555 1 11 . 1 1 21 21 GLU CB C 21 29.646 29.646 32.686 -3.040 25660 5556 1 11 . 1 1 22 22 LYS N N 22 126.123 126.123 128.003 -1.880 25660 5557 1 11 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.403 -0.351 25660 5558 1 11 . 1 1 22 22 LYS C C 22 177.538 177.538 176.196 1.342 25660 5559 1 11 . 1 1 22 22 LYS CA C 22 57.749 57.749 56.851 0.898 25660 5560 1 11 . 1 1 22 22 LYS CB C 22 30.941 30.941 30.308 0.633 25660 5561 1 11 . 1 1 22 22 LYS H H 22 8.717 8.717 8.708 0.009 25660 5562 1 11 . 1 1 23 23 GLY N N 23 117.177 117.177 112.693 4.484 25660 5563 1 11 . 1 1 23 23 GLY C C 23 174.531 174.531 173.907 0.624 25660 5564 1 11 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.599 0.307 25660 5565 1 11 . 1 1 23 23 GLY H H 23 9.078 9.078 7.981 1.097 25660 5566 1 11 . 1 1 24 24 GLY N N 24 107.042 107.042 106.987 0.055 25660 5567 1 11 . 1 1 24 24 GLY C C 24 172.234 172.234 174.253 -2.019 25660 5568 1 11 . 1 1 24 24 GLY CA C 24 44.146 44.146 45.352 -1.206 25660 5569 1 11 . 1 1 24 24 GLY H H 24 7.730 7.730 7.704 0.026 25660 5570 1 11 . 1 1 25 25 LYS N N 25 118.452 118.452 122.902 -4.450 25660 5571 1 11 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.831 -0.998 25660 5572 1 11 . 1 1 25 25 LYS C C 25 178.209 178.209 175.949 2.260 25660 5573 1 11 . 1 1 25 25 LYS CA C 25 55.712 55.712 55.272 0.440 25660 5574 1 11 . 1 1 25 25 LYS CB C 25 32.861 32.861 35.860 -2.999 25660 5575 1 11 . 1 1 25 25 LYS H H 25 8.222 8.222 8.085 0.137 25660 5576 1 11 . 1 1 26 26 HIS N N 26 122.465 122.465 121.423 1.042 25660 5577 1 11 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.866 -0.674 25660 5578 1 11 . 1 1 26 26 HIS C C 26 175.081 175.081 175.255 -0.174 25660 5579 1 11 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.071 0.742 25660 5580 1 11 . 1 1 26 26 HIS CB C 26 30.173 30.173 29.692 0.481 25660 5581 1 11 . 1 1 26 26 HIS H H 26 8.545 8.545 8.107 0.438 25660 5582 1 11 . 1 1 27 27 LYS N N 27 126.571 126.571 123.929 2.642 25660 5583 1 11 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.556 -0.186 25660 5584 1 11 . 1 1 27 27 LYS C C 27 175.781 175.781 176.630 -0.849 25660 5585 1 11 . 1 1 27 27 LYS CA C 27 55.066 55.066 55.585 -0.519 25660 5586 1 11 . 1 1 27 27 LYS CB C 27 30.731 30.731 33.259 -2.528 25660 5587 1 11 . 1 1 27 27 LYS H H 27 7.439 7.439 8.385 -0.946 25660 5588 1 11 . 1 1 28 28 THR HA H 28 4.017 4.017 4.188 -0.171 25660 5589 1 11 . 1 1 28 28 THR C C 28 174.931 174.931 175.381 -0.450 25660 5590 1 11 . 1 1 28 28 THR CA C 28 67.083 67.083 64.526 2.557 25660 5591 1 11 . 1 1 28 28 THR CB C 28 69.766 69.766 69.031 0.735 25660 5592 1 11 . 1 1 29 29 GLY N N 29 106.150 106.150 108.879 -2.729 25660 5593 1 11 . 1 1 29 29 GLY C C 29 169.328 169.328 171.574 -2.246 25660 5594 1 11 . 1 1 29 29 GLY CA C 29 40.882 40.882 43.271 -2.389 25660 5595 1 11 . 1 1 29 29 GLY H H 29 7.548 7.548 7.544 0.004 25660 5596 1 11 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.596 -1.006 25660 5597 1 11 . 1 1 30 30 PRO CA C 30 60.269 60.269 61.446 -1.177 25660 5598 1 11 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.819 -2.799 25660 5599 1 11 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.198 -0.175 25660 5600 1 11 . 1 1 31 31 ASN C C 31 176.303 176.303 176.645 -0.342 25660 5601 1 11 . 1 1 31 31 ASN CA C 31 54.344 54.344 55.204 -0.860 25660 5602 1 11 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.297 1.488 25660 5603 1 11 . 1 1 31 31 ASN H H 31 10.198 10.198 7.488 2.710 25660 5604 1 11 . 1 1 32 32 LEU N N 32 121.653 121.653 115.476 6.177 25660 5605 1 11 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.846 0.021 25660 5606 1 11 . 1 1 32 32 LEU C C 32 174.533 174.533 175.108 -0.575 25660 5607 1 11 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.647 -2.360 25660 5608 1 11 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.343 1.177 25660 5609 1 11 . 1 1 32 32 LEU H H 32 7.889 7.889 7.930 -0.041 25660 5610 1 11 . 1 1 33 33 HIS N N 33 119.860 119.860 117.463 2.397 25660 5611 1 11 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.285 -0.578 25660 5612 1 11 . 1 1 33 33 HIS C C 33 176.992 176.992 175.566 1.426 25660 5613 1 11 . 1 1 33 33 HIS CA C 33 60.491 60.491 57.872 2.619 25660 5614 1 11 . 1 1 33 33 HIS CB C 33 28.223 28.223 30.118 -1.895 25660 5615 1 11 . 1 1 33 33 HIS H H 33 7.445 7.445 7.829 -0.384 25660 5616 1 11 . 1 1 34 34 GLY N N 34 114.645 114.645 114.937 -0.292 25660 5617 1 11 . 1 1 34 34 GLY C C 34 174.473 174.473 174.069 0.404 25660 5618 1 11 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.824 -0.111 25660 5619 1 11 . 1 1 34 34 GLY H H 34 8.763 8.763 8.134 0.629 25660 5620 1 11 . 1 1 35 35 LEU N N 35 117.774 117.774 119.509 -1.735 25660 5621 1 11 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.057 -0.530 25660 5622 1 11 . 1 1 35 35 LEU C C 35 176.507 176.507 176.323 0.184 25660 5623 1 11 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.187 0.272 25660 5624 1 11 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.289 1.519 25660 5625 1 11 . 1 1 35 35 LEU H H 35 7.010 7.010 7.373 -0.363 25660 5626 1 11 . 1 1 36 36 PHE N N 36 113.600 113.600 116.532 -2.932 25660 5627 1 11 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.570 -0.722 25660 5628 1 11 . 1 1 36 36 PHE C C 36 176.553 176.553 176.603 -0.050 25660 5629 1 11 . 1 1 36 36 PHE CA C 36 59.702 59.702 58.669 1.033 25660 5630 1 11 . 1 1 36 36 PHE CB C 36 36.223 36.223 38.439 -2.216 25660 5631 1 11 . 1 1 36 36 PHE H H 36 8.694 8.694 7.931 0.763 25660 5632 1 11 . 1 1 37 37 GLY N N 37 112.857 112.857 112.780 0.077 25660 5633 1 11 . 1 1 37 37 GLY C C 37 173.382 173.382 173.508 -0.126 25660 5634 1 11 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.761 -0.306 25660 5635 1 11 . 1 1 37 37 GLY H H 37 8.839 8.839 8.894 -0.055 25660 5636 1 11 . 1 1 38 38 ARG N N 38 124.035 124.035 119.480 4.555 25660 5637 1 11 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.719 -0.270 25660 5638 1 11 . 1 1 38 38 ARG C C 38 174.415 174.415 174.621 -0.206 25660 5639 1 11 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.356 1.408 25660 5640 1 11 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.590 -0.179 25660 5641 1 11 . 1 1 38 38 ARG H H 38 8.215 8.215 7.593 0.622 25660 5642 1 11 . 1 1 39 39 LYS N N 39 123.290 123.290 122.908 0.382 25660 5643 1 11 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.302 0.545 25660 5644 1 11 . 1 1 39 39 LYS C C 39 172.219 172.219 176.293 -4.074 25660 5645 1 11 . 1 1 39 39 LYS CA C 39 55.199 55.199 54.946 0.253 25660 5646 1 11 . 1 1 39 39 LYS CB C 39 33.682 33.682 32.422 1.260 25660 5647 1 11 . 1 1 39 39 LYS H H 39 8.147 8.147 8.397 -0.250 25660 5648 1 11 . 1 1 40 40 THR N N 40 113.158 113.158 117.138 -3.980 25660 5649 1 11 . 1 1 40 40 THR HA H 40 4.463 4.463 4.212 0.251 25660 5650 1 11 . 1 1 40 40 THR C C 40 175.638 175.638 174.594 1.044 25660 5651 1 11 . 1 1 40 40 THR CA C 40 61.920 61.920 63.105 -1.185 25660 5652 1 11 . 1 1 40 40 THR CB C 40 68.539 68.539 69.997 -1.458 25660 5653 1 11 . 1 1 40 40 THR H H 40 7.804 7.804 8.150 -0.346 25660 5654 1 11 . 1 1 41 41 GLY N N 41 111.811 111.811 109.877 1.934 25660 5655 1 11 . 1 1 41 41 GLY C C 41 174.720 174.720 173.804 0.916 25660 5656 1 11 . 1 1 41 41 GLY CA C 41 46.409 46.409 45.416 0.993 25660 5657 1 11 . 1 1 41 41 GLY H H 41 9.040 9.040 8.656 0.384 25660 5658 1 11 . 1 1 42 42 GLN N N 42 117.180 117.180 115.952 1.228 25660 5659 1 11 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.549 -0.195 25660 5660 1 11 . 1 1 42 42 GLN C C 42 175.152 175.152 174.694 0.458 25660 5661 1 11 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.267 -0.652 25660 5662 1 11 . 1 1 42 42 GLN CB C 42 28.977 28.977 30.958 -1.981 25660 5663 1 11 . 1 1 42 42 GLN H H 42 8.084 8.084 8.174 -0.090 25660 5664 1 11 . 1 1 43 43 ALA N N 43 125.825 125.825 124.076 1.749 25660 5665 1 11 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.844 -0.308 25660 5666 1 11 . 1 1 43 43 ALA C C 43 175.308 175.308 175.252 0.056 25660 5667 1 11 . 1 1 43 43 ALA CA C 43 49.991 49.991 49.923 0.068 25660 5668 1 11 . 1 1 43 43 ALA CB C 43 18.488 18.488 20.099 -1.611 25660 5669 1 11 . 1 1 43 43 ALA H H 43 8.063 8.063 7.734 0.329 25660 5670 1 11 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.262 0.094 25660 5671 1 11 . 1 1 44 44 PRO C C 44 178.294 178.294 177.814 0.480 25660 5672 1 11 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.770 -1.314 25660 5673 1 11 . 1 1 44 44 PRO CB C 44 31.514 31.514 32.086 -0.572 25660 5674 1 11 . 1 1 45 45 GLY N N 45 112.024 112.024 104.940 7.084 25660 5675 1 11 . 1 1 45 45 GLY C C 45 173.301 173.301 174.172 -0.871 25660 5676 1 11 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.249 0.101 25660 5677 1 11 . 1 1 45 45 GLY H H 45 8.831 8.831 8.128 0.703 25660 5678 1 11 . 1 1 46 46 TYR N N 46 120.307 120.307 120.533 -0.226 25660 5679 1 11 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.732 -0.540 25660 5680 1 11 . 1 1 46 46 TYR C C 46 174.910 174.910 174.529 0.381 25660 5681 1 11 . 1 1 46 46 TYR CA C 46 57.515 57.515 56.119 1.396 25660 5682 1 11 . 1 1 46 46 TYR CB C 46 39.539 39.539 38.799 0.740 25660 5683 1 11 . 1 1 46 46 TYR H H 46 7.661 7.661 7.523 0.138 25660 5684 1 11 . 1 1 50 50 ALA N N 50 125.381 125.381 126.035 -0.654 25660 5685 1 11 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.580 -0.414 25660 5686 1 11 . 1 1 50 50 ALA C C 50 178.430 178.430 178.102 0.328 25660 5687 1 11 . 1 1 50 50 ALA CA C 50 53.813 53.813 52.929 0.884 25660 5688 1 11 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.230 -1.288 25660 5689 1 11 . 1 1 50 50 ALA H H 50 8.507 8.507 8.540 -0.033 25660 5690 1 11 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.930 0.063 25660 5691 1 11 . 1 1 51 51 ALA C C 51 178.634 178.634 179.327 -0.693 25660 5692 1 11 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.924 -0.992 25660 5693 1 11 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.379 -0.130 25660 5694 1 11 . 1 1 52 52 ASN N N 52 117.178 117.178 116.445 0.733 25660 5695 1 11 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.475 -0.146 25660 5696 1 11 . 1 1 52 52 ASN C C 52 176.255 176.255 178.109 -1.854 25660 5697 1 11 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.715 0.054 25660 5698 1 11 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.246 1.006 25660 5699 1 11 . 1 1 52 52 ASN H H 52 8.286 8.286 8.043 0.243 25660 5700 1 11 . 1 1 53 53 LYS N N 53 120.164 120.164 120.185 -0.021 25660 5701 1 11 . 1 1 53 53 LYS HA H 53 3.728 3.728 3.926 -0.198 25660 5702 1 11 . 1 1 53 53 LYS C C 53 177.676 177.676 178.792 -1.116 25660 5703 1 11 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.958 -0.556 25660 5704 1 11 . 1 1 53 53 LYS CB C 53 32.296 32.296 31.570 0.726 25660 5705 1 11 . 1 1 53 53 LYS H H 53 8.152 8.152 7.895 0.257 25660 5706 1 11 . 1 1 54 54 ASN N N 54 116.286 116.286 118.873 -2.587 25660 5707 1 11 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.539 -0.150 25660 5708 1 11 . 1 1 54 54 ASN C C 54 175.501 175.501 176.515 -1.014 25660 5709 1 11 . 1 1 54 54 ASN CA C 54 53.488 53.488 55.230 -1.742 25660 5710 1 11 . 1 1 54 54 ASN CB C 54 38.101 38.101 38.395 -0.294 25660 5711 1 11 . 1 1 54 54 ASN H H 54 8.553 8.553 8.357 0.196 25660 5712 1 11 . 1 1 55 55 LYS N N 55 121.354 121.354 119.760 1.594 25660 5713 1 11 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.169 -0.137 25660 5714 1 11 . 1 1 55 55 LYS C C 55 177.422 177.422 177.489 -0.067 25660 5715 1 11 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.384 1.434 25660 5716 1 11 . 1 1 55 55 LYS CB C 55 31.536 31.536 32.161 -0.625 25660 5717 1 11 . 1 1 55 55 LYS H H 55 7.634 7.634 7.479 0.155 25660 5718 1 11 . 1 1 56 56 GLY CA C 56 46.052 46.052 45.443 0.609 25660 5719 1 11 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.346 -0.304 25660 5720 1 11 . 1 1 57 57 ILE C C 57 173.923 173.923 174.133 -0.210 25660 5721 1 11 . 1 1 57 57 ILE CA C 57 58.621 58.621 60.686 -2.065 25660 5722 1 11 . 1 1 57 57 ILE CB C 57 38.366 38.366 38.467 -0.101 25660 5723 1 11 . 1 1 58 58 ILE N N 58 121.053 121.053 125.339 -4.286 25660 5724 1 11 . 1 1 58 58 ILE HA H 58 4.082 4.082 4.113 -0.031 25660 5725 1 11 . 1 1 58 58 ILE C C 58 177.495 177.495 175.573 1.922 25660 5726 1 11 . 1 1 58 58 ILE CA C 58 58.867 58.867 58.609 0.258 25660 5727 1 11 . 1 1 58 58 ILE CB C 58 38.504 38.504 40.054 -1.550 25660 5728 1 11 . 1 1 58 58 ILE H H 58 7.988 7.988 8.366 -0.378 25660 5729 1 11 . 1 1 59 59 TRP N N 59 130.896 130.896 128.123 2.773 25660 5730 1 11 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.400 0.429 25660 5731 1 11 . 1 1 59 59 TRP C C 59 175.793 175.793 175.878 -0.085 25660 5732 1 11 . 1 1 59 59 TRP CA C 59 57.229 57.229 56.940 0.289 25660 5733 1 11 . 1 1 59 59 TRP CB C 59 29.908 29.908 29.559 0.349 25660 5734 1 11 . 1 1 59 59 TRP H H 59 8.931 8.931 7.732 1.199 25660 5735 1 11 . 1 1 60 60 GLY N N 60 111.218 111.218 110.611 0.607 25660 5736 1 11 . 1 1 60 60 GLY C C 60 171.636 171.636 173.449 -1.813 25660 5737 1 11 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.569 -1.355 25660 5738 1 11 . 1 1 60 60 GLY H H 60 7.839 7.839 8.310 -0.471 25660 5739 1 11 . 1 1 61 61 GLU N N 61 120.606 120.606 119.175 1.431 25660 5740 1 11 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.031 -0.173 25660 5741 1 11 . 1 1 61 61 GLU C C 61 177.011 177.011 177.816 -0.805 25660 5742 1 11 . 1 1 61 61 GLU CA C 61 62.088 62.088 60.524 1.564 25660 5743 1 11 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.826 -0.462 25660 5744 1 11 . 1 1 61 61 GLU H H 61 9.619 9.619 8.888 0.731 25660 5745 1 11 . 1 1 62 62 ASP N N 62 114.943 114.943 115.493 -0.550 25660 5746 1 11 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.603 -0.269 25660 5747 1 11 . 1 1 62 62 ASP C C 62 179.228 179.228 177.637 1.591 25660 5748 1 11 . 1 1 62 62 ASP CA C 62 57.208 57.208 56.265 0.943 25660 5749 1 11 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.407 -0.930 25660 5750 1 11 . 1 1 62 62 ASP H H 62 8.396 8.396 8.539 -0.143 25660 5751 1 11 . 1 1 63 63 THR N N 63 112.857 112.857 112.325 0.532 25660 5752 1 11 . 1 1 63 63 THR HA H 63 4.116 4.116 4.560 -0.444 25660 5753 1 11 . 1 1 63 63 THR C C 63 177.971 177.971 176.650 1.321 25660 5754 1 11 . 1 1 63 63 THR CA C 63 63.601 63.601 65.020 -1.419 25660 5755 1 11 . 1 1 63 63 THR CB C 63 68.918 68.918 69.303 -0.385 25660 5756 1 11 . 1 1 63 63 THR H H 63 8.246 8.246 7.419 0.827 25660 5757 1 11 . 1 1 64 64 LEU N N 64 121.355 121.355 123.118 -1.763 25660 5758 1 11 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.178 0.055 25660 5759 1 11 . 1 1 64 64 LEU C C 64 178.628 178.628 178.959 -0.331 25660 5760 1 11 . 1 1 64 64 LEU CA C 64 58.314 58.314 57.787 0.527 25660 5761 1 11 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.564 0.791 25660 5762 1 11 . 1 1 64 64 LEU H H 64 8.809 8.809 8.358 0.451 25660 5763 1 11 . 1 1 65 65 MET N N 65 118.519 118.519 118.799 -0.280 25660 5764 1 11 . 1 1 65 65 MET HA H 65 3.896 3.896 4.173 -0.277 25660 5765 1 11 . 1 1 65 65 MET C C 65 177.782 177.782 177.211 0.571 25660 5766 1 11 . 1 1 65 65 MET CA C 65 57.910 57.910 58.243 -0.333 25660 5767 1 11 . 1 1 65 65 MET CB C 65 31.019 31.019 32.406 -1.387 25660 5768 1 11 . 1 1 65 65 MET H H 65 7.934 7.934 8.013 -0.079 25660 5769 1 11 . 1 1 66 66 GLU N N 66 117.027 117.027 118.856 -1.829 25660 5770 1 11 . 1 1 66 66 GLU HA H 66 3.958 3.958 3.872 0.086 25660 5771 1 11 . 1 1 66 66 GLU C C 66 178.928 178.928 178.404 0.524 25660 5772 1 11 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.598 -0.495 25660 5773 1 11 . 1 1 66 66 GLU CB C 66 29.676 29.676 28.994 0.682 25660 5774 1 11 . 1 1 66 66 GLU H H 66 6.795 6.795 7.813 -1.018 25660 5775 1 11 . 1 1 67 67 TYR N N 67 120.608 120.608 121.935 -1.327 25660 5776 1 11 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.208 -0.707 25660 5777 1 11 . 1 1 67 67 TYR C C 67 176.312 176.312 177.590 -1.278 25660 5778 1 11 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.538 -1.627 25660 5779 1 11 . 1 1 67 67 TYR CB C 67 40.118 40.118 39.128 0.990 25660 5780 1 11 . 1 1 67 67 TYR H H 67 8.170 8.170 7.756 0.414 25660 5781 1 11 . 1 1 68 68 LEU N N 68 109.278 109.278 118.570 -9.292 25660 5782 1 11 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.849 -0.863 25660 5783 1 11 . 1 1 68 68 LEU C C 68 176.652 176.652 178.727 -2.075 25660 5784 1 11 . 1 1 68 68 LEU CA C 68 55.211 55.211 57.114 -1.903 25660 5785 1 11 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.491 -0.303 25660 5786 1 11 . 1 1 68 68 LEU H H 68 8.108 8.108 8.454 -0.346 25660 5787 1 11 . 1 1 69 69 GLU N N 69 119.118 119.118 119.698 -0.580 25660 5788 1 11 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.244 -0.384 25660 5789 1 11 . 1 1 69 69 GLU C C 69 176.033 176.033 175.957 0.076 25660 5790 1 11 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.002 -0.476 25660 5791 1 11 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.435 -0.886 25660 5792 1 11 . 1 1 69 69 GLU H H 69 6.783 6.783 7.954 -1.171 25660 5793 1 11 . 1 1 70 70 ASN N N 70 105.553 105.553 111.582 -6.029 25660 5794 1 11 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.349 -1.218 25660 5795 1 11 . 1 1 70 70 ASN C C 70 172.247 172.247 172.767 -0.520 25660 5796 1 11 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.238 0.127 25660 5797 1 11 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.506 -1.709 25660 5798 1 11 . 1 1 70 70 ASN H H 70 6.092 6.092 7.662 -1.570 25660 5799 1 11 . 1 1 71 71 PRO HA H 71 3.517 3.517 3.696 -0.179 25660 5800 1 11 . 1 1 71 71 PRO C C 71 176.414 176.414 177.546 -1.132 25660 5801 1 11 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.523 0.149 25660 5802 1 11 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.788 -1.853 25660 5803 1 11 . 1 1 72 72 LYS N N 72 113.454 113.454 114.447 -0.993 25660 5804 1 11 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.547 -0.832 25660 5805 1 11 . 1 1 72 72 LYS C C 72 177.234 177.234 177.839 -0.605 25660 5806 1 11 . 1 1 72 72 LYS CA C 72 57.046 57.046 56.535 0.511 25660 5807 1 11 . 1 1 72 72 LYS CB C 72 31.565 31.565 31.405 0.160 25660 5808 1 11 . 1 1 72 72 LYS H H 72 7.457 7.457 8.371 -0.914 25660 5809 1 11 . 1 1 73 73 LYS N N 73 118.522 118.522 121.608 -3.086 25660 5810 1 11 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.138 -0.348 25660 5811 1 11 . 1 1 73 73 LYS C C 73 176.890 176.890 177.980 -1.090 25660 5812 1 11 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.474 -1.067 25660 5813 1 11 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.378 0.521 25660 5814 1 11 . 1 1 73 73 LYS H H 73 6.855 6.855 7.554 -0.699 25660 5815 1 11 . 1 1 74 74 TYR N N 74 118.674 118.674 118.631 0.043 25660 5816 1 11 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.368 -0.137 25660 5817 1 11 . 1 1 74 74 TYR C C 74 175.794 175.794 175.320 0.474 25660 5818 1 11 . 1 1 74 74 TYR CA C 74 60.721 60.721 60.528 0.193 25660 5819 1 11 . 1 1 74 74 TYR CB C 74 39.536 39.536 40.690 -1.154 25660 5820 1 11 . 1 1 74 74 TYR H H 74 7.219 7.219 7.972 -0.753 25660 5821 1 11 . 1 1 75 75 ILE N N 75 114.346 114.346 116.629 -2.283 25660 5822 1 11 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.534 -0.467 25660 5823 1 11 . 1 1 75 75 ILE C C 75 179.773 179.773 173.694 6.079 25660 5824 1 11 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.668 -0.194 25660 5825 1 11 . 1 1 75 75 ILE CB C 75 37.615 37.615 39.785 -2.171 25660 5826 1 11 . 1 1 75 75 ILE H H 75 8.189 8.189 8.357 -0.168 25660 5827 1 11 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.642 -0.165 25660 5828 1 11 . 1 1 76 76 PRO C C 76 178.583 178.583 177.226 1.357 25660 5829 1 11 . 1 1 76 76 PRO CA C 76 64.021 64.021 64.161 -0.140 25660 5830 1 11 . 1 1 76 76 PRO CB C 76 31.137 31.137 31.677 -0.540 25660 5831 1 11 . 1 1 77 77 GLY N N 77 108.831 108.831 107.250 1.581 25660 5832 1 11 . 1 1 77 77 GLY C C 77 174.866 174.866 174.720 0.146 25660 5833 1 11 . 1 1 77 77 GLY CA C 77 44.314 44.314 44.205 0.109 25660 5834 1 11 . 1 1 77 77 GLY H H 77 8.563 8.563 7.958 0.605 25660 5835 1 11 . 1 1 78 78 THR N N 78 115.541 115.541 116.527 -0.986 25660 5836 1 11 . 1 1 78 78 THR HA H 78 4.226 4.226 4.416 -0.190 25660 5837 1 11 . 1 1 78 78 THR C C 78 173.114 173.114 175.294 -2.180 25660 5838 1 11 . 1 1 78 78 THR CA C 78 61.759 61.759 63.045 -1.286 25660 5839 1 11 . 1 1 78 78 THR CB C 78 67.910 67.910 69.803 -1.893 25660 5840 1 11 . 1 1 78 78 THR H H 78 7.922 7.922 7.871 0.051 25660 5841 1 11 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.517 -0.136 25660 5842 1 11 . 1 1 79 79 LYS C C 79 175.845 175.845 176.103 -0.258 25660 5843 1 11 . 1 1 79 79 LYS CA C 79 55.526 55.526 55.453 0.073 25660 5844 1 11 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.851 -0.548 25660 5845 1 11 . 1 1 80 80 MET N N 80 123.515 123.515 122.363 1.152 25660 5846 1 11 . 1 1 80 80 MET HA H 80 2.934 2.934 4.388 -1.454 25660 5847 1 11 . 1 1 80 80 MET C C 80 171.833 171.833 175.599 -3.766 25660 5848 1 11 . 1 1 80 80 MET CA C 80 55.863 55.863 56.097 -0.234 25660 5849 1 11 . 1 1 80 80 MET CB C 80 27.552 27.552 33.101 -5.549 25660 5850 1 11 . 1 1 80 80 MET H H 80 7.384 7.384 7.887 -0.503 25660 5851 1 11 . 1 1 81 81 ILE N N 81 130.146 130.146 128.954 1.192 25660 5852 1 11 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.266 -0.781 25660 5853 1 11 . 1 1 81 81 ILE C C 81 173.220 173.220 175.235 -2.015 25660 5854 1 11 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.770 -1.485 25660 5855 1 11 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.470 -0.858 25660 5856 1 11 . 1 1 81 81 ILE H H 81 7.856 7.856 8.733 -0.877 25660 5857 1 11 . 1 1 82 82 PHE N N 82 123.143 123.143 128.034 -4.891 25660 5858 1 11 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.775 -0.448 25660 5859 1 11 . 1 1 82 82 PHE C C 82 174.333 174.333 174.661 -0.328 25660 5860 1 11 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.437 -0.859 25660 5861 1 11 . 1 1 82 82 PHE CB C 82 40.644 40.644 41.933 -1.289 25660 5862 1 11 . 1 1 82 82 PHE H H 82 6.529 6.529 7.971 -1.442 25660 5863 1 11 . 1 1 83 83 VAL N N 83 125.079 125.079 124.316 0.763 25660 5864 1 11 . 1 1 83 83 VAL HA H 83 3.286 3.286 4.004 -0.718 25660 5865 1 11 . 1 1 83 83 VAL C C 83 174.444 174.444 176.063 -1.619 25660 5866 1 11 . 1 1 83 83 VAL CA C 83 64.273 64.273 63.700 0.573 25660 5867 1 11 . 1 1 83 83 VAL CB C 83 31.352 31.352 32.075 -0.723 25660 5868 1 11 . 1 1 83 83 VAL H H 83 7.739 7.739 8.106 -0.367 25660 5869 1 11 . 1 1 84 84 GLY C C 84 172.113 172.113 172.992 -0.879 25660 5870 1 11 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.757 -1.921 25660 5871 1 11 . 1 1 85 85 ILE N N 85 120.758 120.758 121.085 -0.327 25660 5872 1 11 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.568 -0.432 25660 5873 1 11 . 1 1 85 85 ILE C C 85 175.103 175.103 176.555 -1.452 25660 5874 1 11 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.063 -0.673 25660 5875 1 11 . 1 1 85 85 ILE CB C 85 39.528 39.528 40.930 -1.402 25660 5876 1 11 . 1 1 85 85 ILE H H 85 8.327 8.327 8.189 0.138 25660 5877 1 11 . 1 1 86 86 LYS N N 86 127.466 127.466 125.413 2.053 25660 5878 1 11 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.292 -0.320 25660 5879 1 11 . 1 1 86 86 LYS C C 86 178.442 178.442 176.802 1.640 25660 5880 1 11 . 1 1 86 86 LYS CA C 86 58.619 58.619 57.376 1.243 25660 5881 1 11 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.804 -0.461 25660 5882 1 11 . 1 1 86 86 LYS H H 86 8.518 8.518 8.618 -0.100 25660 5883 1 11 . 1 1 87 87 LYS N N 87 120.309 120.309 121.952 -1.643 25660 5884 1 11 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.490 -0.243 25660 5885 1 11 . 1 1 87 87 LYS C C 87 177.569 177.569 176.724 0.845 25660 5886 1 11 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.085 1.780 25660 5887 1 11 . 1 1 87 87 LYS CB C 87 32.531 32.531 31.618 0.913 25660 5888 1 11 . 1 1 87 87 LYS H H 87 8.368 8.368 8.101 0.267 25660 5889 1 11 . 1 1 88 88 LYS N N 88 129.999 129.999 126.001 3.998 25660 5890 1 11 . 1 1 88 88 LYS HA H 88 3.562 3.562 3.826 -0.264 25660 5891 1 11 . 1 1 88 88 LYS C C 88 177.664 177.664 177.908 -0.244 25660 5892 1 11 . 1 1 88 88 LYS CA C 88 60.314 60.314 60.179 0.135 25660 5893 1 11 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.722 -0.639 25660 5894 1 11 . 1 1 88 88 LYS H H 88 9.151 9.151 8.412 0.739 25660 5895 1 11 . 1 1 89 89 GLU N N 89 117.925 117.925 116.926 0.999 25660 5896 1 11 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.104 -0.205 25660 5897 1 11 . 1 1 89 89 GLU C C 89 177.911 177.911 178.660 -0.749 25660 5898 1 11 . 1 1 89 89 GLU CA C 89 59.760 59.760 58.976 0.784 25660 5899 1 11 . 1 1 89 89 GLU CB C 89 28.814 28.814 28.701 0.113 25660 5900 1 11 . 1 1 89 89 GLU H H 89 9.462 9.462 8.785 0.677 25660 5901 1 11 . 1 1 90 90 GLU N N 90 116.437 116.437 119.970 -3.533 25660 5902 1 11 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.159 0.039 25660 5903 1 11 . 1 1 90 90 GLU C C 90 178.730 178.730 178.979 -0.249 25660 5904 1 11 . 1 1 90 90 GLU CA C 90 58.277 58.277 58.783 -0.506 25660 5905 1 11 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.718 0.272 25660 5906 1 11 . 1 1 90 90 GLU H H 90 6.347 6.347 7.565 -1.218 25660 5907 1 11 . 1 1 91 91 ARG N N 91 117.405 117.405 119.340 -1.935 25660 5908 1 11 . 1 1 91 91 ARG HA H 91 3.740 3.740 4.041 -0.301 25660 5909 1 11 . 1 1 91 91 ARG C C 91 177.430 177.430 178.334 -0.904 25660 5910 1 11 . 1 1 91 91 ARG CA C 91 61.182 61.182 58.872 2.310 25660 5911 1 11 . 1 1 91 91 ARG CB C 91 31.106 31.106 29.640 1.466 25660 5912 1 11 . 1 1 91 91 ARG H H 91 7.423 7.423 7.684 -0.261 25660 5913 1 11 . 1 1 92 92 ALA N N 92 120.161 120.161 121.090 -0.929 25660 5914 1 11 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.155 -0.185 25660 5915 1 11 . 1 1 92 92 ALA C C 92 181.044 181.044 179.679 1.365 25660 5916 1 11 . 1 1 92 92 ALA CA C 92 55.281 55.281 55.055 0.226 25660 5917 1 11 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.190 -0.651 25660 5918 1 11 . 1 1 92 92 ALA H H 92 8.668 8.668 8.150 0.518 25660 5919 1 11 . 1 1 93 93 ASP N N 93 122.101 122.101 119.701 2.400 25660 5920 1 11 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.627 -0.419 25660 5921 1 11 . 1 1 93 93 ASP C C 93 177.634 177.634 178.119 -0.485 25660 5922 1 11 . 1 1 93 93 ASP CA C 93 58.147 58.147 56.654 1.493 25660 5923 1 11 . 1 1 93 93 ASP CB C 93 39.552 39.552 41.284 -1.732 25660 5924 1 11 . 1 1 93 93 ASP H H 93 8.153 8.153 7.625 0.528 25660 5925 1 11 . 1 1 94 94 LEU N N 94 121.208 121.208 123.179 -1.971 25660 5926 1 11 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.108 0.097 25660 5927 1 11 . 1 1 94 94 LEU C C 94 178.395 178.395 178.843 -0.448 25660 5928 1 11 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.237 0.058 25660 5929 1 11 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.273 -0.562 25660 5930 1 11 . 1 1 94 94 LEU H H 94 8.183 8.183 8.132 0.051 25660 5931 1 11 . 1 1 95 95 ILE N N 95 120.159 120.159 117.878 2.281 25660 5932 1 11 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.671 -0.062 25660 5933 1 11 . 1 1 95 95 ILE C C 95 176.351 176.351 177.447 -1.096 25660 5934 1 11 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.162 1.060 25660 5935 1 11 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.403 0.265 25660 5936 1 11 . 1 1 95 95 ILE H H 95 8.974 8.974 8.531 0.443 25660 5937 1 11 . 1 1 96 96 ALA N N 96 123.001 123.001 123.096 -0.095 25660 5938 1 11 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.943 0.083 25660 5939 1 11 . 1 1 96 96 ALA C C 96 180.700 180.700 179.258 1.442 25660 5940 1 11 . 1 1 96 96 ALA CA C 96 54.933 54.933 54.995 -0.062 25660 5941 1 11 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.057 -1.087 25660 5942 1 11 . 1 1 96 96 ALA H H 96 7.974 7.974 7.352 0.622 25660 5943 1 11 . 1 1 97 97 TYR N N 97 118.224 118.224 120.150 -1.926 25660 5944 1 11 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.050 0.147 25660 5945 1 11 . 1 1 97 97 TYR C C 97 176.278 176.278 177.335 -1.057 25660 5946 1 11 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.924 1.532 25660 5947 1 11 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.097 -1.154 25660 5948 1 11 . 1 1 97 97 TYR H H 97 8.089 8.089 8.005 0.084 25660 5949 1 11 . 1 1 98 98 LEU N N 98 119.118 119.118 118.820 0.298 25660 5950 1 11 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.295 0.039 25660 5951 1 11 . 1 1 98 98 LEU C C 98 179.188 179.188 179.079 0.109 25660 5952 1 11 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.990 -0.341 25660 5953 1 11 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.395 0.250 25660 5954 1 11 . 1 1 98 98 LEU H H 98 8.982 8.982 8.375 0.607 25660 5955 1 11 . 1 1 99 99 LYS N N 99 123.889 123.889 118.197 5.692 25660 5956 1 11 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.273 -0.724 25660 5957 1 11 . 1 1 99 99 LYS C C 99 176.653 176.653 178.812 -2.159 25660 5958 1 11 . 1 1 99 99 LYS CA C 99 59.190 59.190 59.036 0.154 25660 5959 1 11 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.793 0.076 25660 5960 1 11 . 1 1 99 99 LYS H H 99 8.945 8.945 7.985 0.960 25660 5961 1 11 . 1 1 100 100 LYS N N 100 116.726 116.726 118.436 -1.710 25660 5962 1 11 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.091 -0.115 25660 5963 1 11 . 1 1 100 100 LYS C C 100 178.363 178.363 177.931 0.432 25660 5964 1 11 . 1 1 100 100 LYS CA C 100 57.655 57.655 58.285 -0.630 25660 5965 1 11 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.538 0.637 25660 5966 1 11 . 1 1 100 100 LYS H H 100 6.724 6.724 7.327 -0.603 25660 5967 1 11 . 1 1 101 101 ALA N N 101 119.416 119.416 119.726 -0.310 25660 5968 1 11 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.409 -0.614 25660 5969 1 11 . 1 1 101 101 ALA C C 101 179.576 179.576 179.301 0.275 25660 5970 1 11 . 1 1 101 101 ALA CA C 101 54.401 54.401 54.479 -0.078 25660 5971 1 11 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.102 -0.749 25660 5972 1 11 . 1 1 101 101 ALA H H 101 8.539 8.539 8.127 0.412 25660 5973 1 11 . 1 1 102 102 THR N N 102 101.974 101.974 108.809 -6.835 25660 5974 1 11 . 1 1 102 102 THR HA H 102 4.157 4.157 3.511 0.646 25660 5975 1 11 . 1 1 102 102 THR C C 102 172.872 172.872 174.866 -1.994 25660 5976 1 11 . 1 1 102 102 THR CA C 102 61.954 61.954 63.566 -1.612 25660 5977 1 11 . 1 1 102 102 THR CB C 102 69.403 69.403 69.096 0.307 25660 5978 1 11 . 1 1 102 102 THR H H 102 7.810 7.810 7.998 -0.188 25660 5979 1 11 . 1 1 103 103 ASN N N 103 118.372 118.372 118.339 0.033 25660 5980 1 11 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.748 0.019 25660 5981 1 11 . 1 1 103 103 ASN C C 103 173.663 173.663 175.186 -1.523 25660 5982 1 11 . 1 1 103 103 ASN CA C 103 52.469 52.469 53.014 -0.545 25660 5983 1 11 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.272 3.104 25660 5984 1 11 . 1 1 103 103 ASN H H 103 6.968 6.968 7.924 -0.956 25660 5985 1 12 . 1 1 2 2 ASP N N 2 124.691 124.691 121.946 2.745 25660 5986 1 12 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.908 -0.133 25660 5987 1 12 . 1 1 2 2 ASP C C 2 175.662 175.662 175.487 0.175 25660 5988 1 12 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.716 0.056 25660 5989 1 12 . 1 1 2 2 ASP CB C 2 42.313 42.313 42.830 -0.517 25660 5990 1 12 . 1 1 2 2 ASP H H 2 9.541 9.541 8.529 1.012 25660 5991 1 12 . 1 1 3 3 VAL N N 3 123.739 123.739 118.329 5.410 25660 5992 1 12 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.819 -0.269 25660 5993 1 12 . 1 1 3 3 VAL C C 3 177.302 177.302 177.396 -0.094 25660 5994 1 12 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.811 0.135 25660 5995 1 12 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.220 -0.255 25660 5996 1 12 . 1 1 3 3 VAL H H 3 8.569 8.569 8.306 0.263 25660 5997 1 12 . 1 1 4 4 GLU N N 4 120.310 120.310 119.916 0.394 25660 5998 1 12 . 1 1 4 4 GLU HA H 4 4.008 4.008 3.986 0.022 25660 5999 1 12 . 1 1 4 4 GLU C C 4 180.515 180.515 179.254 1.261 25660 6000 1 12 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.465 -0.502 25660 6001 1 12 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.382 -0.903 25660 6002 1 12 . 1 1 4 4 GLU H H 4 8.083 8.083 8.221 -0.138 25660 6003 1 12 . 1 1 5 5 LYS N N 5 121.058 121.058 118.034 3.024 25660 6004 1 12 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.129 -0.230 25660 6005 1 12 . 1 1 5 5 LYS C C 5 180.515 180.515 178.792 1.723 25660 6006 1 12 . 1 1 5 5 LYS CA C 5 59.459 59.459 57.914 1.545 25660 6007 1 12 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.040 0.414 25660 6008 1 12 . 1 1 5 5 LYS H H 5 8.096 8.096 8.239 -0.143 25660 6009 1 12 . 1 1 6 6 GLY N N 6 107.193 107.193 107.189 0.004 25660 6010 1 12 . 1 1 6 6 GLY C C 6 174.012 174.012 175.545 -1.533 25660 6011 1 12 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.790 -0.311 25660 6012 1 12 . 1 1 6 6 GLY H H 6 8.709 8.709 7.975 0.734 25660 6013 1 12 . 1 1 7 7 LYS N N 7 124.124 124.124 120.164 3.960 25660 6014 1 12 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.381 -1.221 25660 6015 1 12 . 1 1 7 7 LYS C C 7 177.457 177.457 178.163 -0.706 25660 6016 1 12 . 1 1 7 7 LYS CA C 7 59.052 59.052 58.791 0.261 25660 6017 1 12 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.300 0.805 25660 6018 1 12 . 1 1 7 7 LYS H H 7 8.039 8.039 7.979 0.060 25660 6019 1 12 . 1 1 8 8 LYS N N 8 116.732 116.732 118.632 -1.900 25660 6020 1 12 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.080 -0.265 25660 6021 1 12 . 1 1 8 8 LYS C C 8 179.228 179.228 179.147 0.081 25660 6022 1 12 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.459 0.863 25660 6023 1 12 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.670 0.145 25660 6024 1 12 . 1 1 8 8 LYS H H 8 6.958 6.958 7.820 -0.862 25660 6025 1 12 . 1 1 9 9 ILE N N 9 119.269 119.269 119.598 -0.329 25660 6026 1 12 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.986 -0.267 25660 6027 1 12 . 1 1 9 9 ILE C C 9 177.006 177.006 177.693 -0.687 25660 6028 1 12 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.065 3.040 25660 6029 1 12 . 1 1 9 9 ILE CB C 9 37.562 37.562 36.976 0.586 25660 6030 1 12 . 1 1 9 9 ILE H H 9 7.681 7.681 7.482 0.199 25660 6031 1 12 . 1 1 10 10 PHE N N 10 120.908 120.908 122.541 -1.633 25660 6032 1 12 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.284 -0.311 25660 6033 1 12 . 1 1 10 10 PHE C C 10 178.820 178.820 177.939 0.881 25660 6034 1 12 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.919 0.246 25660 6035 1 12 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.273 0.104 25660 6036 1 12 . 1 1 10 10 PHE H H 10 8.635 8.635 7.753 0.882 25660 6037 1 12 . 1 1 11 11 ILE N N 11 121.053 121.053 117.616 3.437 25660 6038 1 12 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.755 -0.439 25660 6039 1 12 . 1 1 11 11 ILE C C 11 178.867 178.867 177.441 1.426 25660 6040 1 12 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.770 0.852 25660 6041 1 12 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.914 -0.297 25660 6042 1 12 . 1 1 11 11 ILE H H 11 8.834 8.834 8.563 0.271 25660 6043 1 12 . 1 1 12 12 MET N N 12 117.328 117.328 117.888 -0.560 25660 6044 1 12 . 1 1 12 12 MET HA H 12 4.219 4.219 4.243 -0.024 25660 6045 1 12 . 1 1 12 12 MET C C 12 177.972 177.972 177.356 0.616 25660 6046 1 12 . 1 1 12 12 MET CA C 12 58.560 58.560 58.052 0.508 25660 6047 1 12 . 1 1 12 12 MET CB C 12 33.675 33.675 33.350 0.325 25660 6048 1 12 . 1 1 12 12 MET H H 12 8.047 8.047 7.558 0.489 25660 6049 1 12 . 1 1 13 13 LYS N N 13 113.452 113.452 114.297 -0.845 25660 6050 1 12 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.483 0.452 25660 6051 1 12 . 1 1 13 13 LYS C C 13 177.353 177.353 176.505 0.848 25660 6052 1 12 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.810 -0.550 25660 6053 1 12 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.654 0.545 25660 6054 1 12 . 1 1 13 13 LYS H H 13 9.016 9.016 8.337 0.679 25660 6055 1 12 . 1 1 14 14 CYS N N 14 115.390 115.390 115.244 0.146 25660 6056 1 12 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.533 0.763 25660 6057 1 12 . 1 1 14 14 CYS C C 14 177.723 177.723 175.661 2.062 25660 6058 1 12 . 1 1 14 14 CYS CA C 14 54.119 54.119 58.578 -4.459 25660 6059 1 12 . 1 1 14 14 CYS CB C 14 36.784 36.784 29.679 7.105 25660 6060 1 12 . 1 1 14 14 CYS H H 14 8.130 8.130 8.034 0.096 25660 6061 1 12 . 1 1 15 15 SER N N 15 114.347 114.347 118.451 -4.104 25660 6062 1 12 . 1 1 15 15 SER HA H 15 3.768 3.768 3.884 -0.116 25660 6063 1 12 . 1 1 15 15 SER C C 15 174.272 174.272 175.812 -1.540 25660 6064 1 12 . 1 1 15 15 SER CA C 15 60.587 60.587 61.418 -0.831 25660 6065 1 12 . 1 1 15 15 SER CB C 15 62.483 62.483 63.145 -0.662 25660 6066 1 12 . 1 1 15 15 SER H H 15 7.297 7.297 8.137 -0.840 25660 6067 1 12 . 1 1 16 16 GLN N N 16 120.608 120.608 118.193 2.415 25660 6068 1 12 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.069 -0.160 25660 6069 1 12 . 1 1 16 16 GLN C C 16 176.559 176.559 177.015 -0.456 25660 6070 1 12 . 1 1 16 16 GLN CA C 16 57.938 57.938 58.203 -0.265 25660 6071 1 12 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.020 -0.120 25660 6072 1 12 . 1 1 16 16 GLN H H 16 8.879 8.879 8.598 0.281 25660 6073 1 12 . 1 1 17 17 CYS N N 17 112.857 112.857 114.005 -1.148 25660 6074 1 12 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.513 -0.429 25660 6075 1 12 . 1 1 17 17 CYS C C 17 171.419 171.419 173.968 -2.549 25660 6076 1 12 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.249 -5.282 25660 6077 1 12 . 1 1 17 17 CYS CB C 17 38.172 38.172 29.933 8.239 25660 6078 1 12 . 1 1 17 17 CYS H H 17 6.805 6.805 7.876 -1.071 25660 6079 1 12 . 1 1 18 18 HIS N N 18 113.603 113.603 118.483 -4.880 25660 6080 1 12 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.209 -1.587 25660 6081 1 12 . 1 1 18 18 HIS CA C 18 53.514 53.514 55.274 -1.760 25660 6082 1 12 . 1 1 18 18 HIS CB C 18 31.916 31.916 33.293 -1.377 25660 6083 1 12 . 1 1 18 18 HIS H H 18 6.223 6.223 8.145 -1.922 25660 6084 1 12 . 1 1 19 19 THR N N 19 109.280 109.280 109.875 -0.595 25660 6085 1 12 . 1 1 19 19 THR HA H 19 4.413 4.413 5.068 -0.655 25660 6086 1 12 . 1 1 19 19 THR C C 19 174.026 174.026 173.313 0.713 25660 6087 1 12 . 1 1 19 19 THR CA C 19 58.557 58.557 60.662 -2.105 25660 6088 1 12 . 1 1 19 19 THR CB C 19 71.176 71.176 71.035 0.141 25660 6089 1 12 . 1 1 19 19 THR H H 19 7.636 7.636 8.219 -0.583 25660 6090 1 12 . 1 1 20 20 VAL N N 20 110.620 110.620 114.467 -3.847 25660 6091 1 12 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.842 -1.077 25660 6092 1 12 . 1 1 20 20 VAL C C 20 173.470 173.470 174.292 -0.822 25660 6093 1 12 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.385 0.409 25660 6094 1 12 . 1 1 20 20 VAL CB C 20 33.427 33.427 31.954 1.472 25660 6095 1 12 . 1 1 20 20 VAL H H 20 7.675 7.675 8.442 -0.767 25660 6096 1 12 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.640 -0.506 25660 6097 1 12 . 1 1 21 21 GLU C C 21 177.538 177.538 175.856 1.682 25660 6098 1 12 . 1 1 21 21 GLU CA C 21 56.452 56.452 54.408 2.043 25660 6099 1 12 . 1 1 21 21 GLU CB C 21 29.646 29.646 32.533 -2.887 25660 6100 1 12 . 1 1 22 22 LYS N N 22 126.123 126.123 127.549 -1.426 25660 6101 1 12 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.688 -0.636 25660 6102 1 12 . 1 1 22 22 LYS C C 22 177.538 177.538 177.381 0.157 25660 6103 1 12 . 1 1 22 22 LYS CA C 22 57.749 57.749 57.782 -0.034 25660 6104 1 12 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.436 -1.495 25660 6105 1 12 . 1 1 22 22 LYS H H 22 8.717 8.717 8.777 -0.060 25660 6106 1 12 . 1 1 23 23 GLY N N 23 117.177 117.177 112.378 4.799 25660 6107 1 12 . 1 1 23 23 GLY C C 23 174.531 174.531 174.045 0.486 25660 6108 1 12 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.426 0.480 25660 6109 1 12 . 1 1 23 23 GLY H H 23 9.078 9.078 8.591 0.487 25660 6110 1 12 . 1 1 24 24 GLY N N 24 107.042 107.042 107.954 -0.912 25660 6111 1 12 . 1 1 24 24 GLY C C 24 172.234 172.234 172.872 -0.638 25660 6112 1 12 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.727 -0.581 25660 6113 1 12 . 1 1 24 24 GLY H H 24 7.730 7.730 7.579 0.151 25660 6114 1 12 . 1 1 25 25 LYS N N 25 118.452 118.452 120.583 -2.131 25660 6115 1 12 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.510 -0.677 25660 6116 1 12 . 1 1 25 25 LYS C C 25 178.209 178.209 174.258 3.951 25660 6117 1 12 . 1 1 25 25 LYS CA C 25 55.712 55.712 54.478 1.234 25660 6118 1 12 . 1 1 25 25 LYS CB C 25 32.861 32.861 36.579 -3.718 25660 6119 1 12 . 1 1 25 25 LYS H H 25 8.222 8.222 8.148 0.074 25660 6120 1 12 . 1 1 26 26 HIS N N 26 122.465 122.465 118.125 4.340 25660 6121 1 12 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.872 -0.680 25660 6122 1 12 . 1 1 26 26 HIS C C 26 175.081 175.081 174.902 0.179 25660 6123 1 12 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.075 0.738 25660 6124 1 12 . 1 1 26 26 HIS CB C 26 30.173 30.173 30.674 -0.501 25660 6125 1 12 . 1 1 26 26 HIS H H 26 8.545 8.545 8.308 0.237 25660 6126 1 12 . 1 1 27 27 LYS N N 27 126.571 126.571 124.323 2.248 25660 6127 1 12 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.553 -0.183 25660 6128 1 12 . 1 1 27 27 LYS C C 27 175.781 175.781 176.539 -0.758 25660 6129 1 12 . 1 1 27 27 LYS CA C 27 55.066 55.066 54.840 0.227 25660 6130 1 12 . 1 1 27 27 LYS CB C 27 30.731 30.731 35.178 -4.447 25660 6131 1 12 . 1 1 27 27 LYS H H 27 7.439 7.439 8.305 -0.866 25660 6132 1 12 . 1 1 28 28 THR HA H 28 4.017 4.017 4.123 -0.106 25660 6133 1 12 . 1 1 28 28 THR C C 28 174.931 174.931 175.052 -0.121 25660 6134 1 12 . 1 1 28 28 THR CA C 28 67.083 67.083 64.933 2.150 25660 6135 1 12 . 1 1 28 28 THR CB C 28 69.766 69.766 69.208 0.558 25660 6136 1 12 . 1 1 29 29 GLY N N 29 106.150 106.150 107.459 -1.309 25660 6137 1 12 . 1 1 29 29 GLY C C 29 169.328 169.328 171.357 -2.029 25660 6138 1 12 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.021 -1.139 25660 6139 1 12 . 1 1 29 29 GLY H H 29 7.548 7.548 7.551 -0.003 25660 6140 1 12 . 1 1 30 30 PRO HA H 30 3.590 3.590 3.759 -0.169 25660 6141 1 12 . 1 1 30 30 PRO CA C 30 60.269 60.269 62.251 -1.982 25660 6142 1 12 . 1 1 30 30 PRO CB C 30 31.020 31.020 32.998 -1.978 25660 6143 1 12 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.715 -0.692 25660 6144 1 12 . 1 1 31 31 ASN C C 31 176.303 176.303 176.334 -0.031 25660 6145 1 12 . 1 1 31 31 ASN CA C 31 54.344 54.344 53.326 1.018 25660 6146 1 12 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.847 0.938 25660 6147 1 12 . 1 1 31 31 ASN H H 31 10.198 10.198 8.727 1.471 25660 6148 1 12 . 1 1 32 32 LEU N N 32 121.653 121.653 115.764 5.889 25660 6149 1 12 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.937 -0.070 25660 6150 1 12 . 1 1 32 32 LEU C C 32 174.533 174.533 175.867 -1.334 25660 6151 1 12 . 1 1 32 32 LEU CA C 32 53.287 53.287 56.378 -3.091 25660 6152 1 12 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.258 1.262 25660 6153 1 12 . 1 1 32 32 LEU H H 32 7.889 7.889 8.268 -0.379 25660 6154 1 12 . 1 1 33 33 HIS N N 33 119.860 119.860 118.959 0.901 25660 6155 1 12 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.538 -0.831 25660 6156 1 12 . 1 1 33 33 HIS C C 33 176.992 176.992 175.182 1.810 25660 6157 1 12 . 1 1 33 33 HIS CA C 33 60.491 60.491 56.995 3.497 25660 6158 1 12 . 1 1 33 33 HIS CB C 33 28.223 28.223 27.870 0.353 25660 6159 1 12 . 1 1 33 33 HIS H H 33 7.445 7.445 8.434 -0.989 25660 6160 1 12 . 1 1 34 34 GLY N N 34 114.645 114.645 108.891 5.754 25660 6161 1 12 . 1 1 34 34 GLY C C 34 174.473 174.473 173.932 0.541 25660 6162 1 12 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.251 0.462 25660 6163 1 12 . 1 1 34 34 GLY H H 34 8.763 8.763 8.426 0.337 25660 6164 1 12 . 1 1 35 35 LEU N N 35 117.774 117.774 122.737 -4.963 25660 6165 1 12 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.285 -0.758 25660 6166 1 12 . 1 1 35 35 LEU C C 35 176.507 176.507 175.674 0.833 25660 6167 1 12 . 1 1 35 35 LEU CA C 35 57.459 57.459 56.629 0.830 25660 6168 1 12 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.575 1.233 25660 6169 1 12 . 1 1 35 35 LEU H H 35 7.010 7.010 7.675 -0.665 25660 6170 1 12 . 1 1 36 36 PHE N N 36 113.600 113.600 117.592 -3.992 25660 6171 1 12 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.833 -0.985 25660 6172 1 12 . 1 1 36 36 PHE C C 36 176.553 176.553 176.417 0.136 25660 6173 1 12 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.006 0.696 25660 6174 1 12 . 1 1 36 36 PHE CB C 36 36.223 36.223 38.133 -1.910 25660 6175 1 12 . 1 1 36 36 PHE H H 36 8.694 8.694 8.170 0.524 25660 6176 1 12 . 1 1 37 37 GLY N N 37 112.857 112.857 112.084 0.773 25660 6177 1 12 . 1 1 37 37 GLY C C 37 173.382 173.382 173.348 0.034 25660 6178 1 12 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.644 -0.189 25660 6179 1 12 . 1 1 37 37 GLY H H 37 8.839 8.839 8.572 0.267 25660 6180 1 12 . 1 1 38 38 ARG N N 38 124.035 124.035 119.800 4.235 25660 6181 1 12 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.727 -0.278 25660 6182 1 12 . 1 1 38 38 ARG C C 38 174.415 174.415 174.981 -0.566 25660 6183 1 12 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.100 1.664 25660 6184 1 12 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.600 -0.189 25660 6185 1 12 . 1 1 38 38 ARG H H 38 8.215 8.215 7.577 0.638 25660 6186 1 12 . 1 1 39 39 LYS N N 39 123.290 123.290 120.810 2.480 25660 6187 1 12 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.156 0.691 25660 6188 1 12 . 1 1 39 39 LYS C C 39 172.219 172.219 177.126 -4.907 25660 6189 1 12 . 1 1 39 39 LYS CA C 39 55.199 55.199 55.854 -0.655 25660 6190 1 12 . 1 1 39 39 LYS CB C 39 33.682 33.682 32.766 0.916 25660 6191 1 12 . 1 1 39 39 LYS H H 39 8.147 8.147 8.528 -0.381 25660 6192 1 12 . 1 1 40 40 THR N N 40 113.158 113.158 115.334 -2.176 25660 6193 1 12 . 1 1 40 40 THR HA H 40 4.463 4.463 4.480 -0.017 25660 6194 1 12 . 1 1 40 40 THR C C 40 175.638 175.638 175.979 -0.341 25660 6195 1 12 . 1 1 40 40 THR CA C 40 61.920 61.920 63.559 -1.639 25660 6196 1 12 . 1 1 40 40 THR CB C 40 68.539 68.539 69.584 -1.045 25660 6197 1 12 . 1 1 40 40 THR H H 40 7.804 7.804 8.035 -0.231 25660 6198 1 12 . 1 1 41 41 GLY N N 41 111.811 111.811 111.294 0.517 25660 6199 1 12 . 1 1 41 41 GLY C C 41 174.720 174.720 174.451 0.269 25660 6200 1 12 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.529 -0.120 25660 6201 1 12 . 1 1 41 41 GLY H H 41 9.040 9.040 8.912 0.128 25660 6202 1 12 . 1 1 42 42 GLN N N 42 117.180 117.180 122.026 -4.846 25660 6203 1 12 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.499 -0.145 25660 6204 1 12 . 1 1 42 42 GLN C C 42 175.152 175.152 175.406 -0.254 25660 6205 1 12 . 1 1 42 42 GLN CA C 42 54.615 54.615 53.751 0.864 25660 6206 1 12 . 1 1 42 42 GLN CB C 42 28.977 28.977 27.976 1.001 25660 6207 1 12 . 1 1 42 42 GLN H H 42 8.084 8.084 7.816 0.268 25660 6208 1 12 . 1 1 43 43 ALA N N 43 125.825 125.825 125.608 0.217 25660 6209 1 12 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.502 0.034 25660 6210 1 12 . 1 1 43 43 ALA C C 43 175.308 175.308 175.932 -0.624 25660 6211 1 12 . 1 1 43 43 ALA CA C 43 49.991 49.991 50.868 -0.877 25660 6212 1 12 . 1 1 43 43 ALA CB C 43 18.488 18.488 18.498 -0.010 25660 6213 1 12 . 1 1 43 43 ALA H H 43 8.063 8.063 7.951 0.112 25660 6214 1 12 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.329 0.027 25660 6215 1 12 . 1 1 44 44 PRO C C 44 178.294 178.294 177.496 0.798 25660 6216 1 12 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.765 -1.309 25660 6217 1 12 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.008 0.506 25660 6218 1 12 . 1 1 45 45 GLY N N 45 112.024 112.024 110.919 1.105 25660 6219 1 12 . 1 1 45 45 GLY C C 45 173.301 173.301 173.663 -0.362 25660 6220 1 12 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.670 -0.320 25660 6221 1 12 . 1 1 45 45 GLY H H 45 8.831 8.831 8.598 0.233 25660 6222 1 12 . 1 1 46 46 TYR N N 46 120.307 120.307 119.490 0.817 25660 6223 1 12 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.741 -0.549 25660 6224 1 12 . 1 1 46 46 TYR C C 46 174.910 174.910 173.759 1.151 25660 6225 1 12 . 1 1 46 46 TYR CA C 46 57.515 57.515 57.348 0.167 25660 6226 1 12 . 1 1 46 46 TYR CB C 46 39.539 39.539 40.981 -1.442 25660 6227 1 12 . 1 1 46 46 TYR H H 46 7.661 7.661 8.072 -0.411 25660 6228 1 12 . 1 1 50 50 ALA N N 50 125.381 125.381 128.530 -3.149 25660 6229 1 12 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.424 -0.258 25660 6230 1 12 . 1 1 50 50 ALA C C 50 178.430 178.430 178.519 -0.089 25660 6231 1 12 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.293 0.520 25660 6232 1 12 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.283 -1.341 25660 6233 1 12 . 1 1 50 50 ALA H H 50 8.507 8.507 8.557 -0.050 25660 6234 1 12 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.987 0.006 25660 6235 1 12 . 1 1 51 51 ALA C C 51 178.634 178.634 179.268 -0.634 25660 6236 1 12 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.877 -0.945 25660 6237 1 12 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.343 -0.094 25660 6238 1 12 . 1 1 52 52 ASN N N 52 117.178 117.178 116.314 0.864 25660 6239 1 12 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.496 -0.167 25660 6240 1 12 . 1 1 52 52 ASN C C 52 176.255 176.255 177.241 -0.986 25660 6241 1 12 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.585 0.184 25660 6242 1 12 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.046 1.207 25660 6243 1 12 . 1 1 52 52 ASN H H 52 8.286 8.286 7.739 0.547 25660 6244 1 12 . 1 1 53 53 LYS N N 53 120.164 120.164 121.171 -1.007 25660 6245 1 12 . 1 1 53 53 LYS HA H 53 3.728 3.728 3.849 -0.121 25660 6246 1 12 . 1 1 53 53 LYS C C 53 177.676 177.676 178.149 -0.473 25660 6247 1 12 . 1 1 53 53 LYS CA C 53 58.402 58.402 59.779 -1.377 25660 6248 1 12 . 1 1 53 53 LYS CB C 53 32.296 32.296 32.123 0.173 25660 6249 1 12 . 1 1 53 53 LYS H H 53 8.152 8.152 7.614 0.538 25660 6250 1 12 . 1 1 54 54 ASN N N 54 116.286 116.286 115.004 1.282 25660 6251 1 12 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.585 -0.196 25660 6252 1 12 . 1 1 54 54 ASN C C 54 175.501 175.501 176.062 -0.561 25660 6253 1 12 . 1 1 54 54 ASN CA C 54 53.488 53.488 55.571 -2.083 25660 6254 1 12 . 1 1 54 54 ASN CB C 54 38.101 38.101 38.725 -0.624 25660 6255 1 12 . 1 1 54 54 ASN H H 54 8.553 8.553 8.321 0.232 25660 6256 1 12 . 1 1 55 55 LYS N N 55 121.354 121.354 119.370 1.984 25660 6257 1 12 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.371 -0.339 25660 6258 1 12 . 1 1 55 55 LYS C C 55 177.422 177.422 176.971 0.451 25660 6259 1 12 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.893 0.925 25660 6260 1 12 . 1 1 55 55 LYS CB C 55 31.536 31.536 34.675 -3.139 25660 6261 1 12 . 1 1 55 55 LYS H H 55 7.634 7.634 7.508 0.126 25660 6262 1 12 . 1 1 56 56 GLY CA C 56 46.052 46.052 44.976 1.076 25660 6263 1 12 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.364 -0.322 25660 6264 1 12 . 1 1 57 57 ILE C C 57 173.923 173.923 175.007 -1.084 25660 6265 1 12 . 1 1 57 57 ILE CA C 57 58.621 58.621 58.918 -0.297 25660 6266 1 12 . 1 1 57 57 ILE CB C 57 38.366 38.366 41.331 -2.965 25660 6267 1 12 . 1 1 58 58 ILE N N 58 121.053 121.053 121.805 -0.752 25660 6268 1 12 . 1 1 58 58 ILE HA H 58 4.082 4.082 3.955 0.127 25660 6269 1 12 . 1 1 58 58 ILE C C 58 177.495 177.495 176.469 1.026 25660 6270 1 12 . 1 1 58 58 ILE CA C 58 58.867 58.867 60.955 -2.088 25660 6271 1 12 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.273 0.232 25660 6272 1 12 . 1 1 58 58 ILE H H 58 7.988 7.988 8.133 -0.145 25660 6273 1 12 . 1 1 59 59 TRP N N 59 130.896 130.896 129.926 0.970 25660 6274 1 12 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.375 0.454 25660 6275 1 12 . 1 1 59 59 TRP C C 59 175.793 175.793 175.616 0.177 25660 6276 1 12 . 1 1 59 59 TRP CA C 59 57.229 57.229 56.802 0.427 25660 6277 1 12 . 1 1 59 59 TRP CB C 59 29.908 29.908 28.834 1.074 25660 6278 1 12 . 1 1 59 59 TRP H H 59 8.931 8.931 7.821 1.110 25660 6279 1 12 . 1 1 60 60 GLY N N 60 111.218 111.218 110.667 0.551 25660 6280 1 12 . 1 1 60 60 GLY C C 60 171.636 171.636 173.313 -1.677 25660 6281 1 12 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.477 -1.263 25660 6282 1 12 . 1 1 60 60 GLY H H 60 7.839 7.839 8.804 -0.965 25660 6283 1 12 . 1 1 61 61 GLU N N 61 120.606 120.606 119.281 1.325 25660 6284 1 12 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.133 -0.275 25660 6285 1 12 . 1 1 61 61 GLU C C 61 177.011 177.011 177.229 -0.218 25660 6286 1 12 . 1 1 61 61 GLU CA C 61 62.088 62.088 60.032 2.056 25660 6287 1 12 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.765 -0.401 25660 6288 1 12 . 1 1 61 61 GLU H H 61 9.619 9.619 8.917 0.702 25660 6289 1 12 . 1 1 62 62 ASP N N 62 114.943 114.943 113.975 0.968 25660 6290 1 12 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.658 -0.324 25660 6291 1 12 . 1 1 62 62 ASP C C 62 179.228 179.228 176.646 2.582 25660 6292 1 12 . 1 1 62 62 ASP CA C 62 57.208 57.208 55.533 1.675 25660 6293 1 12 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.604 -1.127 25660 6294 1 12 . 1 1 62 62 ASP H H 62 8.396 8.396 8.385 0.011 25660 6295 1 12 . 1 1 63 63 THR N N 63 112.857 112.857 109.858 2.999 25660 6296 1 12 . 1 1 63 63 THR HA H 63 4.116 4.116 4.548 -0.432 25660 6297 1 12 . 1 1 63 63 THR C C 63 177.971 177.971 175.888 2.083 25660 6298 1 12 . 1 1 63 63 THR CA C 63 63.601 63.601 63.233 0.368 25660 6299 1 12 . 1 1 63 63 THR CB C 63 68.918 68.918 70.143 -1.225 25660 6300 1 12 . 1 1 63 63 THR H H 63 8.246 8.246 7.786 0.460 25660 6301 1 12 . 1 1 64 64 LEU N N 64 121.355 121.355 123.020 -1.665 25660 6302 1 12 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.166 0.067 25660 6303 1 12 . 1 1 64 64 LEU C C 64 178.628 178.628 178.874 -0.246 25660 6304 1 12 . 1 1 64 64 LEU CA C 64 58.314 58.314 58.514 -0.200 25660 6305 1 12 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.782 0.573 25660 6306 1 12 . 1 1 64 64 LEU H H 64 8.809 8.809 8.801 0.008 25660 6307 1 12 . 1 1 65 65 MET N N 65 118.519 118.519 116.918 1.601 25660 6308 1 12 . 1 1 65 65 MET HA H 65 3.896 3.896 4.081 -0.185 25660 6309 1 12 . 1 1 65 65 MET C C 65 177.782 177.782 177.918 -0.136 25660 6310 1 12 . 1 1 65 65 MET CA C 65 57.910 57.910 60.094 -2.184 25660 6311 1 12 . 1 1 65 65 MET CB C 65 31.019 31.019 32.466 -1.447 25660 6312 1 12 . 1 1 65 65 MET H H 65 7.934 7.934 8.022 -0.088 25660 6313 1 12 . 1 1 66 66 GLU N N 66 117.027 117.027 119.514 -2.487 25660 6314 1 12 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.119 -0.161 25660 6315 1 12 . 1 1 66 66 GLU C C 66 178.928 178.928 178.899 0.029 25660 6316 1 12 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.886 -0.783 25660 6317 1 12 . 1 1 66 66 GLU CB C 66 29.676 29.676 28.876 0.800 25660 6318 1 12 . 1 1 66 66 GLU H H 66 6.795 6.795 8.381 -1.586 25660 6319 1 12 . 1 1 67 67 TYR N N 67 120.608 120.608 121.732 -1.124 25660 6320 1 12 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.122 -0.621 25660 6321 1 12 . 1 1 67 67 TYR C C 67 176.312 176.312 177.571 -1.259 25660 6322 1 12 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.059 -1.148 25660 6323 1 12 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.679 1.439 25660 6324 1 12 . 1 1 67 67 TYR H H 67 8.170 8.170 7.977 0.193 25660 6325 1 12 . 1 1 68 68 LEU N N 68 109.278 109.278 118.512 -9.234 25660 6326 1 12 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.888 -0.902 25660 6327 1 12 . 1 1 68 68 LEU C C 68 176.652 176.652 178.725 -2.073 25660 6328 1 12 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.854 -1.643 25660 6329 1 12 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.705 -0.517 25660 6330 1 12 . 1 1 68 68 LEU H H 68 8.108 8.108 8.287 -0.179 25660 6331 1 12 . 1 1 69 69 GLU N N 69 119.118 119.118 120.451 -1.333 25660 6332 1 12 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.255 -0.395 25660 6333 1 12 . 1 1 69 69 GLU C C 69 176.033 176.033 175.656 0.377 25660 6334 1 12 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.100 -0.574 25660 6335 1 12 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.626 -1.077 25660 6336 1 12 . 1 1 69 69 GLU H H 69 6.783 6.783 8.577 -1.794 25660 6337 1 12 . 1 1 70 70 ASN N N 70 105.553 105.553 111.997 -6.444 25660 6338 1 12 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.334 -1.203 25660 6339 1 12 . 1 1 70 70 ASN C C 70 172.247 172.247 173.217 -0.970 25660 6340 1 12 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.366 -0.001 25660 6341 1 12 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.509 -1.712 25660 6342 1 12 . 1 1 70 70 ASN H H 70 6.092 6.092 7.647 -1.555 25660 6343 1 12 . 1 1 71 71 PRO HA H 71 3.517 3.517 4.234 -0.717 25660 6344 1 12 . 1 1 71 71 PRO C C 71 176.414 176.414 178.095 -1.681 25660 6345 1 12 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.288 0.384 25660 6346 1 12 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.831 -1.896 25660 6347 1 12 . 1 1 72 72 LYS N N 72 113.454 113.454 115.783 -2.329 25660 6348 1 12 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.450 -0.735 25660 6349 1 12 . 1 1 72 72 LYS C C 72 177.234 177.234 177.844 -0.610 25660 6350 1 12 . 1 1 72 72 LYS CA C 72 57.046 57.046 58.456 -1.410 25660 6351 1 12 . 1 1 72 72 LYS CB C 72 31.565 31.565 31.231 0.334 25660 6352 1 12 . 1 1 72 72 LYS H H 72 7.457 7.457 8.613 -1.156 25660 6353 1 12 . 1 1 73 73 LYS N N 73 118.522 118.522 117.346 1.176 25660 6354 1 12 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.220 -0.430 25660 6355 1 12 . 1 1 73 73 LYS C C 73 176.890 176.890 177.095 -0.205 25660 6356 1 12 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.077 -0.670 25660 6357 1 12 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.774 0.125 25660 6358 1 12 . 1 1 73 73 LYS H H 73 6.855 6.855 7.846 -0.991 25660 6359 1 12 . 1 1 74 74 TYR N N 74 118.674 118.674 118.641 0.033 25660 6360 1 12 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.631 -0.400 25660 6361 1 12 . 1 1 74 74 TYR C C 74 175.794 175.794 174.609 1.185 25660 6362 1 12 . 1 1 74 74 TYR CA C 74 60.721 60.721 59.621 1.100 25660 6363 1 12 . 1 1 74 74 TYR CB C 74 39.536 39.536 42.780 -3.244 25660 6364 1 12 . 1 1 74 74 TYR H H 74 7.219 7.219 7.860 -0.641 25660 6365 1 12 . 1 1 75 75 ILE N N 75 114.346 114.346 118.409 -4.063 25660 6366 1 12 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.627 -0.560 25660 6367 1 12 . 1 1 75 75 ILE C C 75 179.773 179.773 173.977 5.796 25660 6368 1 12 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.766 -0.292 25660 6369 1 12 . 1 1 75 75 ILE CB C 75 37.615 37.615 41.690 -4.075 25660 6370 1 12 . 1 1 75 75 ILE H H 75 8.189 8.189 8.420 -0.231 25660 6371 1 12 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.651 -0.174 25660 6372 1 12 . 1 1 76 76 PRO C C 76 178.583 178.583 176.843 1.740 25660 6373 1 12 . 1 1 76 76 PRO CA C 76 64.021 64.021 63.843 0.178 25660 6374 1 12 . 1 1 76 76 PRO CB C 76 31.137 31.137 31.982 -0.845 25660 6375 1 12 . 1 1 77 77 GLY N N 77 108.831 108.831 110.103 -1.272 25660 6376 1 12 . 1 1 77 77 GLY C C 77 174.866 174.866 174.188 0.678 25660 6377 1 12 . 1 1 77 77 GLY CA C 77 44.314 44.314 43.988 0.326 25660 6378 1 12 . 1 1 77 77 GLY H H 77 8.563 8.563 7.723 0.840 25660 6379 1 12 . 1 1 78 78 THR N N 78 115.541 115.541 113.748 1.793 25660 6380 1 12 . 1 1 78 78 THR HA H 78 4.226 4.226 4.134 0.092 25660 6381 1 12 . 1 1 78 78 THR C C 78 173.114 173.114 174.640 -1.526 25660 6382 1 12 . 1 1 78 78 THR CA C 78 61.759 61.759 62.298 -0.540 25660 6383 1 12 . 1 1 78 78 THR CB C 78 67.910 67.910 69.317 -1.407 25660 6384 1 12 . 1 1 78 78 THR H H 78 7.922 7.922 8.415 -0.493 25660 6385 1 12 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.445 -0.064 25660 6386 1 12 . 1 1 79 79 LYS C C 79 175.845 175.845 176.594 -0.749 25660 6387 1 12 . 1 1 79 79 LYS CA C 79 55.526 55.526 55.873 -0.347 25660 6388 1 12 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.670 -0.367 25660 6389 1 12 . 1 1 80 80 MET N N 80 123.515 123.515 122.306 1.209 25660 6390 1 12 . 1 1 80 80 MET HA H 80 2.934 2.934 4.506 -1.572 25660 6391 1 12 . 1 1 80 80 MET C C 80 171.833 171.833 175.603 -3.770 25660 6392 1 12 . 1 1 80 80 MET CA C 80 55.863 55.863 54.982 0.881 25660 6393 1 12 . 1 1 80 80 MET CB C 80 27.552 27.552 31.814 -4.262 25660 6394 1 12 . 1 1 80 80 MET H H 80 7.384 7.384 7.795 -0.411 25660 6395 1 12 . 1 1 81 81 ILE N N 81 130.146 130.146 128.408 1.738 25660 6396 1 12 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.189 -0.704 25660 6397 1 12 . 1 1 81 81 ILE C C 81 173.220 173.220 174.759 -1.539 25660 6398 1 12 . 1 1 81 81 ILE CA C 81 59.285 59.285 59.727 -0.442 25660 6399 1 12 . 1 1 81 81 ILE CB C 81 34.612 34.612 34.665 -0.053 25660 6400 1 12 . 1 1 81 81 ILE H H 81 7.856 7.856 8.176 -0.320 25660 6401 1 12 . 1 1 82 82 PHE N N 82 123.143 123.143 123.116 0.027 25660 6402 1 12 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.762 -0.435 25660 6403 1 12 . 1 1 82 82 PHE C C 82 174.333 174.333 174.905 -0.572 25660 6404 1 12 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.108 -0.530 25660 6405 1 12 . 1 1 82 82 PHE CB C 82 40.644 40.644 41.701 -1.057 25660 6406 1 12 . 1 1 82 82 PHE H H 82 6.529 6.529 7.834 -1.305 25660 6407 1 12 . 1 1 83 83 VAL N N 83 125.079 125.079 126.342 -1.263 25660 6408 1 12 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.789 -0.503 25660 6409 1 12 . 1 1 83 83 VAL C C 83 174.444 174.444 175.574 -1.130 25660 6410 1 12 . 1 1 83 83 VAL CA C 83 64.273 64.273 63.248 1.025 25660 6411 1 12 . 1 1 83 83 VAL CB C 83 31.352 31.352 31.929 -0.577 25660 6412 1 12 . 1 1 83 83 VAL H H 83 7.739 7.739 7.841 -0.102 25660 6413 1 12 . 1 1 84 84 GLY C C 84 172.113 172.113 172.934 -0.821 25660 6414 1 12 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.445 -1.609 25660 6415 1 12 . 1 1 85 85 ILE N N 85 120.758 120.758 122.478 -1.720 25660 6416 1 12 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.210 -0.074 25660 6417 1 12 . 1 1 85 85 ILE C C 85 175.103 175.103 176.611 -1.508 25660 6418 1 12 . 1 1 85 85 ILE CA C 85 59.390 59.390 61.830 -2.440 25660 6419 1 12 . 1 1 85 85 ILE CB C 85 39.528 39.528 38.394 1.134 25660 6420 1 12 . 1 1 85 85 ILE H H 85 8.327 8.327 8.888 -0.561 25660 6421 1 12 . 1 1 86 86 LYS N N 86 127.466 127.466 128.381 -0.915 25660 6422 1 12 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.239 -0.267 25660 6423 1 12 . 1 1 86 86 LYS C C 86 178.442 178.442 176.669 1.773 25660 6424 1 12 . 1 1 86 86 LYS CA C 86 58.619 58.619 56.980 1.639 25660 6425 1 12 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.780 -0.437 25660 6426 1 12 . 1 1 86 86 LYS H H 86 8.518 8.518 8.702 -0.184 25660 6427 1 12 . 1 1 87 87 LYS N N 87 120.309 120.309 119.636 0.673 25660 6428 1 12 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.514 -0.267 25660 6429 1 12 . 1 1 87 87 LYS C C 87 177.569 177.569 177.235 0.334 25660 6430 1 12 . 1 1 87 87 LYS CA C 87 56.865 56.865 54.743 2.122 25660 6431 1 12 . 1 1 87 87 LYS CB C 87 32.531 32.531 33.589 -1.058 25660 6432 1 12 . 1 1 87 87 LYS H H 87 8.368 8.368 8.244 0.124 25660 6433 1 12 . 1 1 88 88 LYS N N 88 129.999 129.999 123.986 6.013 25660 6434 1 12 . 1 1 88 88 LYS HA H 88 3.562 3.562 4.209 -0.647 25660 6435 1 12 . 1 1 88 88 LYS C C 88 177.664 177.664 178.091 -0.427 25660 6436 1 12 . 1 1 88 88 LYS CA C 88 60.314 60.314 59.006 1.308 25660 6437 1 12 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.457 -0.374 25660 6438 1 12 . 1 1 88 88 LYS H H 88 9.151 9.151 8.788 0.363 25660 6439 1 12 . 1 1 89 89 GLU N N 89 117.925 117.925 121.208 -3.283 25660 6440 1 12 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.094 -0.195 25660 6441 1 12 . 1 1 89 89 GLU C C 89 177.911 177.911 178.617 -0.706 25660 6442 1 12 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.430 0.330 25660 6443 1 12 . 1 1 89 89 GLU CB C 89 28.814 28.814 29.280 -0.466 25660 6444 1 12 . 1 1 89 89 GLU H H 89 9.462 9.462 8.739 0.723 25660 6445 1 12 . 1 1 90 90 GLU N N 90 116.437 116.437 117.725 -1.288 25660 6446 1 12 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.081 0.117 25660 6447 1 12 . 1 1 90 90 GLU C C 90 178.730 178.730 178.921 -0.191 25660 6448 1 12 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.215 -0.938 25660 6449 1 12 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.442 0.548 25660 6450 1 12 . 1 1 90 90 GLU H H 90 6.347 6.347 8.616 -2.269 25660 6451 1 12 . 1 1 91 91 ARG N N 91 117.405 117.405 117.481 -0.076 25660 6452 1 12 . 1 1 91 91 ARG HA H 91 3.740 3.740 4.019 -0.279 25660 6453 1 12 . 1 1 91 91 ARG C C 91 177.430 177.430 177.760 -0.330 25660 6454 1 12 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.364 1.818 25660 6455 1 12 . 1 1 91 91 ARG CB C 91 31.106 31.106 29.630 1.476 25660 6456 1 12 . 1 1 91 91 ARG H H 91 7.423 7.423 7.784 -0.361 25660 6457 1 12 . 1 1 92 92 ALA N N 92 120.161 120.161 121.800 -1.639 25660 6458 1 12 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.254 -0.284 25660 6459 1 12 . 1 1 92 92 ALA C C 92 181.044 181.044 179.503 1.541 25660 6460 1 12 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.440 0.841 25660 6461 1 12 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.365 -0.826 25660 6462 1 12 . 1 1 92 92 ALA H H 92 8.668 8.668 7.673 0.995 25660 6463 1 12 . 1 1 93 93 ASP N N 93 122.101 122.101 120.426 1.675 25660 6464 1 12 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.554 -0.346 25660 6465 1 12 . 1 1 93 93 ASP C C 93 177.634 177.634 178.261 -0.627 25660 6466 1 12 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.516 0.631 25660 6467 1 12 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.883 -1.331 25660 6468 1 12 . 1 1 93 93 ASP H H 93 8.153 8.153 7.574 0.579 25660 6469 1 12 . 1 1 94 94 LEU N N 94 121.208 121.208 122.288 -1.080 25660 6470 1 12 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.107 0.098 25660 6471 1 12 . 1 1 94 94 LEU C C 94 178.395 178.395 178.912 -0.517 25660 6472 1 12 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.032 0.263 25660 6473 1 12 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.279 -0.568 25660 6474 1 12 . 1 1 94 94 LEU H H 94 8.183 8.183 8.491 -0.308 25660 6475 1 12 . 1 1 95 95 ILE N N 95 120.159 120.159 118.005 2.154 25660 6476 1 12 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.686 -0.077 25660 6477 1 12 . 1 1 95 95 ILE C C 95 176.351 176.351 177.414 -1.063 25660 6478 1 12 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.090 1.132 25660 6479 1 12 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.434 0.234 25660 6480 1 12 . 1 1 95 95 ILE H H 95 8.974 8.974 8.237 0.737 25660 6481 1 12 . 1 1 96 96 ALA N N 96 123.001 123.001 123.179 -0.178 25660 6482 1 12 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.932 0.094 25660 6483 1 12 . 1 1 96 96 ALA C C 96 180.700 180.700 179.240 1.460 25660 6484 1 12 . 1 1 96 96 ALA CA C 96 54.933 54.933 55.024 -0.091 25660 6485 1 12 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.061 -1.091 25660 6486 1 12 . 1 1 96 96 ALA H H 96 7.974 7.974 7.365 0.609 25660 6487 1 12 . 1 1 97 97 TYR N N 97 118.224 118.224 120.076 -1.852 25660 6488 1 12 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.067 0.130 25660 6489 1 12 . 1 1 97 97 TYR C C 97 176.278 176.278 177.320 -1.042 25660 6490 1 12 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.754 1.702 25660 6491 1 12 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.157 -1.214 25660 6492 1 12 . 1 1 97 97 TYR H H 97 8.089 8.089 7.817 0.272 25660 6493 1 12 . 1 1 98 98 LEU N N 98 119.118 119.118 118.676 0.442 25660 6494 1 12 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.291 0.043 25660 6495 1 12 . 1 1 98 98 LEU C C 98 179.188 179.188 179.047 0.141 25660 6496 1 12 . 1 1 98 98 LEU CA C 98 57.650 57.650 58.021 -0.371 25660 6497 1 12 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.349 0.296 25660 6498 1 12 . 1 1 98 98 LEU H H 98 8.982 8.982 8.480 0.502 25660 6499 1 12 . 1 1 99 99 LYS N N 99 123.889 123.889 119.015 4.874 25660 6500 1 12 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.300 -0.751 25660 6501 1 12 . 1 1 99 99 LYS C C 99 176.653 176.653 178.948 -2.295 25660 6502 1 12 . 1 1 99 99 LYS CA C 99 59.190 59.190 59.252 -0.062 25660 6503 1 12 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.741 0.128 25660 6504 1 12 . 1 1 99 99 LYS H H 99 8.945 8.945 7.873 1.072 25660 6505 1 12 . 1 1 100 100 LYS N N 100 116.726 116.726 119.139 -2.413 25660 6506 1 12 . 1 1 100 100 LYS HA H 100 3.976 3.976 3.975 0.001 25660 6507 1 12 . 1 1 100 100 LYS C C 100 178.363 178.363 178.221 0.142 25660 6508 1 12 . 1 1 100 100 LYS CA C 100 57.655 57.655 58.581 -0.926 25660 6509 1 12 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.257 0.918 25660 6510 1 12 . 1 1 100 100 LYS H H 100 6.724 6.724 7.532 -0.808 25660 6511 1 12 . 1 1 101 101 ALA N N 101 119.416 119.416 118.415 1.001 25660 6512 1 12 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.295 -0.500 25660 6513 1 12 . 1 1 101 101 ALA C C 101 179.576 179.576 179.186 0.390 25660 6514 1 12 . 1 1 101 101 ALA CA C 101 54.401 54.401 54.255 0.146 25660 6515 1 12 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.179 -0.826 25660 6516 1 12 . 1 1 101 101 ALA H H 101 8.539 8.539 7.649 0.890 25660 6517 1 12 . 1 1 102 102 THR N N 102 101.974 101.974 110.731 -8.757 25660 6518 1 12 . 1 1 102 102 THR HA H 102 4.157 4.157 3.250 0.907 25660 6519 1 12 . 1 1 102 102 THR C C 102 172.872 172.872 175.637 -2.765 25660 6520 1 12 . 1 1 102 102 THR CA C 102 61.954 61.954 64.655 -2.701 25660 6521 1 12 . 1 1 102 102 THR CB C 102 69.403 69.403 68.447 0.956 25660 6522 1 12 . 1 1 102 102 THR H H 102 7.810 7.810 7.974 -0.164 25660 6523 1 12 . 1 1 103 103 ASN N N 103 118.372 118.372 117.854 0.518 25660 6524 1 12 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.658 0.109 25660 6525 1 12 . 1 1 103 103 ASN C C 103 173.663 173.663 175.884 -2.221 25660 6526 1 12 . 1 1 103 103 ASN CA C 103 52.469 52.469 53.626 -1.157 25660 6527 1 12 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.639 2.737 25660 6528 1 12 . 1 1 103 103 ASN H H 103 6.968 6.968 7.495 -0.527 25660 6529 1 13 . 1 1 2 2 ASP N N 2 124.691 124.691 121.075 3.616 25660 6530 1 13 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.895 -0.120 25660 6531 1 13 . 1 1 2 2 ASP C C 2 175.662 175.662 175.559 0.103 25660 6532 1 13 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.606 0.166 25660 6533 1 13 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.928 -1.615 25660 6534 1 13 . 1 1 2 2 ASP H H 2 9.541 9.541 8.694 0.847 25660 6535 1 13 . 1 1 3 3 VAL N N 3 123.739 123.739 118.869 4.870 25660 6536 1 13 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.961 -0.411 25660 6537 1 13 . 1 1 3 3 VAL C C 3 177.302 177.302 177.470 -0.168 25660 6538 1 13 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.349 0.597 25660 6539 1 13 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.316 -0.350 25660 6540 1 13 . 1 1 3 3 VAL H H 3 8.569 8.569 8.404 0.165 25660 6541 1 13 . 1 1 4 4 GLU N N 4 120.310 120.310 119.282 1.028 25660 6542 1 13 . 1 1 4 4 GLU HA H 4 4.008 4.008 4.044 -0.036 25660 6543 1 13 . 1 1 4 4 GLU C C 4 180.515 180.515 179.013 1.502 25660 6544 1 13 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.136 -0.173 25660 6545 1 13 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.377 -0.897 25660 6546 1 13 . 1 1 4 4 GLU H H 4 8.083 8.083 8.104 -0.021 25660 6547 1 13 . 1 1 5 5 LYS N N 5 121.058 121.058 118.659 2.399 25660 6548 1 13 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.143 -0.244 25660 6549 1 13 . 1 1 5 5 LYS C C 5 180.515 180.515 178.986 1.529 25660 6550 1 13 . 1 1 5 5 LYS CA C 5 59.459 59.459 57.790 1.669 25660 6551 1 13 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.072 0.382 25660 6552 1 13 . 1 1 5 5 LYS H H 5 8.096 8.096 7.764 0.332 25660 6553 1 13 . 1 1 6 6 GLY N N 6 107.193 107.193 107.475 -0.282 25660 6554 1 13 . 1 1 6 6 GLY C C 6 174.012 174.012 175.798 -1.786 25660 6555 1 13 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.444 0.035 25660 6556 1 13 . 1 1 6 6 GLY H H 6 8.709 8.709 7.908 0.801 25660 6557 1 13 . 1 1 7 7 LYS N N 7 124.124 124.124 121.188 2.936 25660 6558 1 13 . 1 1 7 7 LYS HA H 7 2.160 2.160 2.867 -0.707 25660 6559 1 13 . 1 1 7 7 LYS C C 7 177.457 177.457 178.702 -1.245 25660 6560 1 13 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.778 -0.726 25660 6561 1 13 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.898 0.206 25660 6562 1 13 . 1 1 7 7 LYS H H 7 8.039 8.039 8.051 -0.012 25660 6563 1 13 . 1 1 8 8 LYS N N 8 116.732 116.732 118.131 -1.399 25660 6564 1 13 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.067 -0.252 25660 6565 1 13 . 1 1 8 8 LYS C C 8 179.228 179.228 179.001 0.227 25660 6566 1 13 . 1 1 8 8 LYS CA C 8 59.322 59.322 59.160 0.162 25660 6567 1 13 . 1 1 8 8 LYS CB C 8 31.815 31.815 32.215 -0.400 25660 6568 1 13 . 1 1 8 8 LYS H H 8 6.958 6.958 7.661 -0.703 25660 6569 1 13 . 1 1 9 9 ILE N N 9 119.269 119.269 119.579 -0.310 25660 6570 1 13 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.938 -0.219 25660 6571 1 13 . 1 1 9 9 ILE C C 9 177.006 177.006 177.808 -0.802 25660 6572 1 13 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.121 2.984 25660 6573 1 13 . 1 1 9 9 ILE CB C 9 37.562 37.562 36.955 0.607 25660 6574 1 13 . 1 1 9 9 ILE H H 9 7.681 7.681 7.499 0.182 25660 6575 1 13 . 1 1 10 10 PHE N N 10 120.908 120.908 122.213 -1.305 25660 6576 1 13 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.342 -0.369 25660 6577 1 13 . 1 1 10 10 PHE C C 10 178.820 178.820 177.499 1.321 25660 6578 1 13 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.768 0.396 25660 6579 1 13 . 1 1 10 10 PHE CB C 10 39.377 39.377 40.016 -0.639 25660 6580 1 13 . 1 1 10 10 PHE H H 10 8.635 8.635 7.747 0.888 25660 6581 1 13 . 1 1 11 11 ILE N N 11 121.053 121.053 118.012 3.041 25660 6582 1 13 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.883 -0.567 25660 6583 1 13 . 1 1 11 11 ILE C C 11 178.867 178.867 177.352 1.515 25660 6584 1 13 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.302 1.320 25660 6585 1 13 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.998 -0.382 25660 6586 1 13 . 1 1 11 11 ILE H H 11 8.834 8.834 8.581 0.253 25660 6587 1 13 . 1 1 12 12 MET N N 12 117.328 117.328 118.133 -0.805 25660 6588 1 13 . 1 1 12 12 MET HA H 12 4.219 4.219 4.236 -0.017 25660 6589 1 13 . 1 1 12 12 MET C C 12 177.972 177.972 177.169 0.803 25660 6590 1 13 . 1 1 12 12 MET CA C 12 58.560 58.560 58.201 0.359 25660 6591 1 13 . 1 1 12 12 MET CB C 12 33.675 33.675 33.278 0.397 25660 6592 1 13 . 1 1 12 12 MET H H 12 8.047 8.047 7.879 0.168 25660 6593 1 13 . 1 1 13 13 LYS N N 13 113.452 113.452 114.785 -1.333 25660 6594 1 13 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.441 0.494 25660 6595 1 13 . 1 1 13 13 LYS C C 13 177.353 177.353 177.215 0.138 25660 6596 1 13 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.517 -0.257 25660 6597 1 13 . 1 1 13 13 LYS CB C 13 35.199 35.199 35.049 0.150 25660 6598 1 13 . 1 1 13 13 LYS H H 13 9.016 9.016 7.849 1.167 25660 6599 1 13 . 1 1 14 14 CYS N N 14 115.390 115.390 118.106 -2.716 25660 6600 1 13 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.476 0.820 25660 6601 1 13 . 1 1 14 14 CYS C C 14 177.723 177.723 175.557 2.166 25660 6602 1 13 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.773 -5.654 25660 6603 1 13 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.553 8.231 25660 6604 1 13 . 1 1 14 14 CYS H H 14 8.130 8.130 8.527 -0.397 25660 6605 1 13 . 1 1 15 15 SER N N 15 114.347 114.347 118.010 -3.663 25660 6606 1 13 . 1 1 15 15 SER HA H 15 3.768 3.768 4.277 -0.509 25660 6607 1 13 . 1 1 15 15 SER C C 15 174.272 174.272 176.202 -1.930 25660 6608 1 13 . 1 1 15 15 SER CA C 15 60.587 60.587 62.187 -1.600 25660 6609 1 13 . 1 1 15 15 SER CB C 15 62.483 62.483 63.258 -0.775 25660 6610 1 13 . 1 1 15 15 SER H H 15 7.297 7.297 7.924 -0.627 25660 6611 1 13 . 1 1 16 16 GLN N N 16 120.608 120.608 117.081 3.527 25660 6612 1 13 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.147 -0.238 25660 6613 1 13 . 1 1 16 16 GLN C C 16 176.559 176.559 176.084 0.475 25660 6614 1 13 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.895 0.043 25660 6615 1 13 . 1 1 16 16 GLN CB C 16 27.900 27.900 27.871 0.029 25660 6616 1 13 . 1 1 16 16 GLN H H 16 8.879 8.879 8.790 0.089 25660 6617 1 13 . 1 1 17 17 CYS N N 17 112.857 112.857 116.763 -3.906 25660 6618 1 13 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.525 -0.441 25660 6619 1 13 . 1 1 17 17 CYS C C 17 171.419 171.419 173.944 -2.525 25660 6620 1 13 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.283 -5.316 25660 6621 1 13 . 1 1 17 17 CYS CB C 17 38.172 38.172 30.234 7.938 25660 6622 1 13 . 1 1 17 17 CYS H H 17 6.805 6.805 7.736 -0.931 25660 6623 1 13 . 1 1 18 18 HIS N N 18 113.603 113.603 118.664 -5.061 25660 6624 1 13 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.305 -1.683 25660 6625 1 13 . 1 1 18 18 HIS CA C 18 53.514 53.514 55.471 -1.957 25660 6626 1 13 . 1 1 18 18 HIS CB C 18 31.916 31.916 32.060 -0.145 25660 6627 1 13 . 1 1 18 18 HIS H H 18 6.223 6.223 8.338 -2.115 25660 6628 1 13 . 1 1 19 19 THR N N 19 109.280 109.280 115.538 -6.258 25660 6629 1 13 . 1 1 19 19 THR HA H 19 4.413 4.413 4.952 -0.539 25660 6630 1 13 . 1 1 19 19 THR C C 19 174.026 174.026 173.695 0.331 25660 6631 1 13 . 1 1 19 19 THR CA C 19 58.557 58.557 62.026 -3.469 25660 6632 1 13 . 1 1 19 19 THR CB C 19 71.176 71.176 71.897 -0.721 25660 6633 1 13 . 1 1 19 19 THR H H 19 7.636 7.636 8.290 -0.654 25660 6634 1 13 . 1 1 20 20 VAL N N 20 110.620 110.620 119.546 -8.926 25660 6635 1 13 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.666 -0.901 25660 6636 1 13 . 1 1 20 20 VAL C C 20 173.470 173.470 175.710 -2.240 25660 6637 1 13 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.934 -0.140 25660 6638 1 13 . 1 1 20 20 VAL CB C 20 33.427 33.427 32.613 0.814 25660 6639 1 13 . 1 1 20 20 VAL H H 20 7.675 7.675 8.537 -0.862 25660 6640 1 13 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.117 0.017 25660 6641 1 13 . 1 1 21 21 GLU C C 21 177.538 177.538 176.519 1.019 25660 6642 1 13 . 1 1 21 21 GLU CA C 21 56.452 56.452 56.785 -0.333 25660 6643 1 13 . 1 1 21 21 GLU CB C 21 29.646 29.646 30.399 -0.753 25660 6644 1 13 . 1 1 22 22 LYS N N 22 126.123 126.123 122.989 3.134 25660 6645 1 13 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.749 -0.697 25660 6646 1 13 . 1 1 22 22 LYS C C 22 177.538 177.538 178.227 -0.689 25660 6647 1 13 . 1 1 22 22 LYS CA C 22 57.749 57.749 57.891 -0.141 25660 6648 1 13 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.193 -1.252 25660 6649 1 13 . 1 1 22 22 LYS H H 22 8.717 8.717 8.544 0.173 25660 6650 1 13 . 1 1 23 23 GLY N N 23 117.177 117.177 111.733 5.444 25660 6651 1 13 . 1 1 23 23 GLY C C 23 174.531 174.531 174.348 0.183 25660 6652 1 13 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.849 0.057 25660 6653 1 13 . 1 1 23 23 GLY H H 23 9.078 9.078 8.709 0.369 25660 6654 1 13 . 1 1 24 24 GLY N N 24 107.042 107.042 109.732 -2.690 25660 6655 1 13 . 1 1 24 24 GLY C C 24 172.234 172.234 173.709 -1.475 25660 6656 1 13 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.883 -0.737 25660 6657 1 13 . 1 1 24 24 GLY H H 24 7.730 7.730 7.681 0.049 25660 6658 1 13 . 1 1 25 25 LYS N N 25 118.452 118.452 122.792 -4.340 25660 6659 1 13 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.714 -0.881 25660 6660 1 13 . 1 1 25 25 LYS C C 25 178.209 178.209 175.858 2.351 25660 6661 1 13 . 1 1 25 25 LYS CA C 25 55.712 55.712 55.386 0.326 25660 6662 1 13 . 1 1 25 25 LYS CB C 25 32.861 32.861 34.379 -1.518 25660 6663 1 13 . 1 1 25 25 LYS H H 25 8.222 8.222 8.476 -0.254 25660 6664 1 13 . 1 1 26 26 HIS N N 26 122.465 122.465 124.948 -2.483 25660 6665 1 13 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.688 -0.496 25660 6666 1 13 . 1 1 26 26 HIS C C 26 175.081 175.081 175.105 -0.024 25660 6667 1 13 . 1 1 26 26 HIS CA C 26 55.813 55.813 57.511 -1.698 25660 6668 1 13 . 1 1 26 26 HIS CB C 26 30.173 30.173 30.228 -0.055 25660 6669 1 13 . 1 1 26 26 HIS H H 26 8.545 8.545 8.658 -0.113 25660 6670 1 13 . 1 1 27 27 LYS N N 27 126.571 126.571 124.542 2.029 25660 6671 1 13 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.638 -0.268 25660 6672 1 13 . 1 1 27 27 LYS C C 27 175.781 175.781 176.346 -0.565 25660 6673 1 13 . 1 1 27 27 LYS CA C 27 55.066 55.066 55.436 -0.370 25660 6674 1 13 . 1 1 27 27 LYS CB C 27 30.731 30.731 33.513 -2.781 25660 6675 1 13 . 1 1 27 27 LYS H H 27 7.439 7.439 7.835 -0.396 25660 6676 1 13 . 1 1 28 28 THR HA H 28 4.017 4.017 4.175 -0.158 25660 6677 1 13 . 1 1 28 28 THR C C 28 174.931 174.931 175.341 -0.410 25660 6678 1 13 . 1 1 28 28 THR CA C 28 67.083 67.083 64.387 2.696 25660 6679 1 13 . 1 1 28 28 THR CB C 28 69.766 69.766 68.817 0.949 25660 6680 1 13 . 1 1 29 29 GLY N N 29 106.150 106.150 107.950 -1.800 25660 6681 1 13 . 1 1 29 29 GLY C C 29 169.328 169.328 171.456 -2.128 25660 6682 1 13 . 1 1 29 29 GLY CA C 29 40.882 40.882 43.129 -2.247 25660 6683 1 13 . 1 1 29 29 GLY H H 29 7.548 7.548 7.254 0.294 25660 6684 1 13 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.478 -0.888 25660 6685 1 13 . 1 1 30 30 PRO CA C 30 60.269 60.269 61.694 -1.425 25660 6686 1 13 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.148 -2.128 25660 6687 1 13 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.398 -0.375 25660 6688 1 13 . 1 1 31 31 ASN C C 31 176.303 176.303 176.826 -0.523 25660 6689 1 13 . 1 1 31 31 ASN CA C 31 54.344 54.344 54.846 -0.502 25660 6690 1 13 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.566 1.219 25660 6691 1 13 . 1 1 31 31 ASN H H 31 10.198 10.198 7.325 2.873 25660 6692 1 13 . 1 1 32 32 LEU N N 32 121.653 121.653 114.360 7.293 25660 6693 1 13 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.736 0.131 25660 6694 1 13 . 1 1 32 32 LEU C C 32 174.533 174.533 175.010 -0.477 25660 6695 1 13 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.253 -1.966 25660 6696 1 13 . 1 1 32 32 LEU CB C 32 42.520 42.520 40.933 1.587 25660 6697 1 13 . 1 1 32 32 LEU H H 32 7.889 7.889 7.683 0.206 25660 6698 1 13 . 1 1 33 33 HIS N N 33 119.860 119.860 117.432 2.428 25660 6699 1 13 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.187 -0.480 25660 6700 1 13 . 1 1 33 33 HIS C C 33 176.992 176.992 175.984 1.008 25660 6701 1 13 . 1 1 33 33 HIS CA C 33 60.491 60.491 58.593 1.898 25660 6702 1 13 . 1 1 33 33 HIS CB C 33 28.223 28.223 29.989 -1.766 25660 6703 1 13 . 1 1 33 33 HIS H H 33 7.445 7.445 7.524 -0.079 25660 6704 1 13 . 1 1 34 34 GLY N N 34 114.645 114.645 113.840 0.805 25660 6705 1 13 . 1 1 34 34 GLY C C 34 174.473 174.473 174.579 -0.106 25660 6706 1 13 . 1 1 34 34 GLY CA C 34 45.713 45.713 46.203 -0.490 25660 6707 1 13 . 1 1 34 34 GLY H H 34 8.763 8.763 8.244 0.519 25660 6708 1 13 . 1 1 35 35 LEU N N 35 117.774 117.774 119.758 -1.984 25660 6709 1 13 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.030 -0.503 25660 6710 1 13 . 1 1 35 35 LEU C C 35 176.507 176.507 176.362 0.145 25660 6711 1 13 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.314 0.145 25660 6712 1 13 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.535 1.273 25660 6713 1 13 . 1 1 35 35 LEU H H 35 7.010 7.010 7.391 -0.381 25660 6714 1 13 . 1 1 36 36 PHE N N 36 113.600 113.600 116.973 -3.373 25660 6715 1 13 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.611 -0.763 25660 6716 1 13 . 1 1 36 36 PHE C C 36 176.553 176.553 177.028 -0.475 25660 6717 1 13 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.501 0.202 25660 6718 1 13 . 1 1 36 36 PHE CB C 36 36.223 36.223 38.484 -2.261 25660 6719 1 13 . 1 1 36 36 PHE H H 36 8.694 8.694 8.108 0.586 25660 6720 1 13 . 1 1 37 37 GLY N N 37 112.857 112.857 112.338 0.519 25660 6721 1 13 . 1 1 37 37 GLY C C 37 173.382 173.382 173.555 -0.173 25660 6722 1 13 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.914 -0.459 25660 6723 1 13 . 1 1 37 37 GLY H H 37 8.839 8.839 8.746 0.093 25660 6724 1 13 . 1 1 38 38 ARG N N 38 124.035 124.035 119.696 4.339 25660 6725 1 13 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.770 -0.321 25660 6726 1 13 . 1 1 38 38 ARG C C 38 174.415 174.415 175.087 -0.672 25660 6727 1 13 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.350 1.414 25660 6728 1 13 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.434 -0.023 25660 6729 1 13 . 1 1 38 38 ARG H H 38 8.215 8.215 7.713 0.502 25660 6730 1 13 . 1 1 39 39 LYS N N 39 123.290 123.290 122.029 1.261 25660 6731 1 13 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.131 0.716 25660 6732 1 13 . 1 1 39 39 LYS C C 39 172.219 172.219 176.193 -3.974 25660 6733 1 13 . 1 1 39 39 LYS CA C 39 55.199 55.199 56.367 -1.168 25660 6734 1 13 . 1 1 39 39 LYS CB C 39 33.682 33.682 33.318 0.364 25660 6735 1 13 . 1 1 39 39 LYS H H 39 8.147 8.147 8.479 -0.332 25660 6736 1 13 . 1 1 40 40 THR N N 40 113.158 113.158 112.458 0.700 25660 6737 1 13 . 1 1 40 40 THR HA H 40 4.463 4.463 4.654 -0.192 25660 6738 1 13 . 1 1 40 40 THR C C 40 175.638 175.638 175.428 0.210 25660 6739 1 13 . 1 1 40 40 THR CA C 40 61.920 61.920 60.223 1.697 25660 6740 1 13 . 1 1 40 40 THR CB C 40 68.539 68.539 71.185 -2.646 25660 6741 1 13 . 1 1 40 40 THR H H 40 7.804 7.804 8.094 -0.290 25660 6742 1 13 . 1 1 41 41 GLY N N 41 111.811 111.811 107.333 4.478 25660 6743 1 13 . 1 1 41 41 GLY C C 41 174.720 174.720 174.988 -0.268 25660 6744 1 13 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.807 -0.398 25660 6745 1 13 . 1 1 41 41 GLY H H 41 9.040 9.040 8.299 0.741 25660 6746 1 13 . 1 1 42 42 GLN N N 42 117.180 117.180 116.828 0.352 25660 6747 1 13 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.674 -0.320 25660 6748 1 13 . 1 1 42 42 GLN C C 42 175.152 175.152 174.553 0.599 25660 6749 1 13 . 1 1 42 42 GLN CA C 42 54.615 54.615 54.596 0.019 25660 6750 1 13 . 1 1 42 42 GLN CB C 42 28.977 28.977 30.052 -1.075 25660 6751 1 13 . 1 1 42 42 GLN H H 42 8.084 8.084 8.051 0.033 25660 6752 1 13 . 1 1 43 43 ALA N N 43 125.825 125.825 124.090 1.735 25660 6753 1 13 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.834 -0.298 25660 6754 1 13 . 1 1 43 43 ALA C C 43 175.308 175.308 175.289 0.019 25660 6755 1 13 . 1 1 43 43 ALA CA C 43 49.991 49.991 49.864 0.127 25660 6756 1 13 . 1 1 43 43 ALA CB C 43 18.488 18.488 19.985 -1.497 25660 6757 1 13 . 1 1 43 43 ALA H H 43 8.063 8.063 7.966 0.097 25660 6758 1 13 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.266 0.090 25660 6759 1 13 . 1 1 44 44 PRO C C 44 178.294 178.294 178.069 0.225 25660 6760 1 13 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.482 -1.026 25660 6761 1 13 . 1 1 44 44 PRO CB C 44 31.514 31.514 32.149 -0.635 25660 6762 1 13 . 1 1 45 45 GLY N N 45 112.024 112.024 107.259 4.765 25660 6763 1 13 . 1 1 45 45 GLY C C 45 173.301 173.301 174.004 -0.703 25660 6764 1 13 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.601 -0.251 25660 6765 1 13 . 1 1 45 45 GLY H H 45 8.831 8.831 8.415 0.416 25660 6766 1 13 . 1 1 46 46 TYR N N 46 120.307 120.307 119.190 1.117 25660 6767 1 13 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.934 -0.742 25660 6768 1 13 . 1 1 46 46 TYR C C 46 174.910 174.910 174.732 0.178 25660 6769 1 13 . 1 1 46 46 TYR CA C 46 57.515 57.515 56.153 1.362 25660 6770 1 13 . 1 1 46 46 TYR CB C 46 39.539 39.539 40.721 -1.182 25660 6771 1 13 . 1 1 46 46 TYR H H 46 7.661 7.661 7.479 0.182 25660 6772 1 13 . 1 1 50 50 ALA N N 50 125.381 125.381 128.356 -2.975 25660 6773 1 13 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.431 -0.265 25660 6774 1 13 . 1 1 50 50 ALA C C 50 178.430 178.430 179.025 -0.595 25660 6775 1 13 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.831 -0.018 25660 6776 1 13 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.240 -1.298 25660 6777 1 13 . 1 1 50 50 ALA H H 50 8.507 8.507 8.594 -0.087 25660 6778 1 13 . 1 1 51 51 ALA HA H 51 3.993 3.993 4.024 -0.031 25660 6779 1 13 . 1 1 51 51 ALA C C 51 178.634 178.634 179.765 -1.131 25660 6780 1 13 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.994 -1.062 25660 6781 1 13 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.237 0.012 25660 6782 1 13 . 1 1 52 52 ASN N N 52 117.178 117.178 115.068 2.110 25660 6783 1 13 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.534 -0.205 25660 6784 1 13 . 1 1 52 52 ASN C C 52 176.255 176.255 177.697 -1.442 25660 6785 1 13 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.503 0.266 25660 6786 1 13 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.292 0.961 25660 6787 1 13 . 1 1 52 52 ASN H H 52 8.286 8.286 8.261 0.025 25660 6788 1 13 . 1 1 53 53 LYS N N 53 120.164 120.164 120.283 -0.119 25660 6789 1 13 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.155 -0.427 25660 6790 1 13 . 1 1 53 53 LYS C C 53 177.676 177.676 176.850 0.826 25660 6791 1 13 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.948 -0.546 25660 6792 1 13 . 1 1 53 53 LYS CB C 53 32.296 32.296 32.984 -0.688 25660 6793 1 13 . 1 1 53 53 LYS H H 53 8.152 8.152 8.004 0.148 25660 6794 1 13 . 1 1 54 54 ASN N N 54 116.286 116.286 116.734 -0.448 25660 6795 1 13 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.654 -0.265 25660 6796 1 13 . 1 1 54 54 ASN C C 54 175.501 175.501 176.908 -1.407 25660 6797 1 13 . 1 1 54 54 ASN CA C 54 53.488 53.488 54.790 -1.302 25660 6798 1 13 . 1 1 54 54 ASN CB C 54 38.101 38.101 39.164 -1.063 25660 6799 1 13 . 1 1 54 54 ASN H H 54 8.553 8.553 8.099 0.454 25660 6800 1 13 . 1 1 55 55 LYS N N 55 121.354 121.354 120.561 0.793 25660 6801 1 13 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.262 -0.230 25660 6802 1 13 . 1 1 55 55 LYS C C 55 177.422 177.422 177.052 0.370 25660 6803 1 13 . 1 1 55 55 LYS CA C 55 56.818 56.818 57.200 -0.382 25660 6804 1 13 . 1 1 55 55 LYS CB C 55 31.536 31.536 32.826 -1.290 25660 6805 1 13 . 1 1 55 55 LYS H H 55 7.634 7.634 8.228 -0.594 25660 6806 1 13 . 1 1 56 56 GLY CA C 56 46.052 46.052 45.402 0.650 25660 6807 1 13 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.339 -0.297 25660 6808 1 13 . 1 1 57 57 ILE C C 57 173.923 173.923 174.165 -0.242 25660 6809 1 13 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.021 -0.400 25660 6810 1 13 . 1 1 57 57 ILE CB C 57 38.366 38.366 40.182 -1.817 25660 6811 1 13 . 1 1 58 58 ILE N N 58 121.053 121.053 121.725 -0.672 25660 6812 1 13 . 1 1 58 58 ILE HA H 58 4.082 4.082 4.040 0.042 25660 6813 1 13 . 1 1 58 58 ILE C C 58 177.495 177.495 175.013 2.482 25660 6814 1 13 . 1 1 58 58 ILE CA C 58 58.867 58.867 59.563 -0.696 25660 6815 1 13 . 1 1 58 58 ILE CB C 58 38.504 38.504 41.280 -2.776 25660 6816 1 13 . 1 1 58 58 ILE H H 58 7.988 7.988 7.979 0.009 25660 6817 1 13 . 1 1 59 59 TRP N N 59 130.896 130.896 128.001 2.895 25660 6818 1 13 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.540 0.289 25660 6819 1 13 . 1 1 59 59 TRP C C 59 175.793 175.793 175.734 0.059 25660 6820 1 13 . 1 1 59 59 TRP CA C 59 57.229 57.229 56.666 0.563 25660 6821 1 13 . 1 1 59 59 TRP CB C 59 29.908 29.908 29.077 0.831 25660 6822 1 13 . 1 1 59 59 TRP H H 59 8.931 8.931 7.963 0.968 25660 6823 1 13 . 1 1 60 60 GLY N N 60 111.218 111.218 110.391 0.827 25660 6824 1 13 . 1 1 60 60 GLY C C 60 171.636 171.636 173.397 -1.761 25660 6825 1 13 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.819 -1.605 25660 6826 1 13 . 1 1 60 60 GLY H H 60 7.839 7.839 8.606 -0.767 25660 6827 1 13 . 1 1 61 61 GLU N N 61 120.606 120.606 119.580 1.026 25660 6828 1 13 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.071 -0.213 25660 6829 1 13 . 1 1 61 61 GLU C C 61 177.011 177.011 178.251 -1.240 25660 6830 1 13 . 1 1 61 61 GLU CA C 61 62.088 62.088 59.873 2.215 25660 6831 1 13 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.880 -0.516 25660 6832 1 13 . 1 1 61 61 GLU H H 61 9.619 9.619 8.736 0.883 25660 6833 1 13 . 1 1 62 62 ASP N N 62 114.943 114.943 114.608 0.335 25660 6834 1 13 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.571 -0.237 25660 6835 1 13 . 1 1 62 62 ASP C C 62 179.228 179.228 176.136 3.092 25660 6836 1 13 . 1 1 62 62 ASP CA C 62 57.208 57.208 54.793 2.415 25660 6837 1 13 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.222 -0.745 25660 6838 1 13 . 1 1 62 62 ASP H H 62 8.396 8.396 8.620 -0.224 25660 6839 1 13 . 1 1 63 63 THR N N 63 112.857 112.857 107.551 5.306 25660 6840 1 13 . 1 1 63 63 THR HA H 63 4.116 4.116 4.598 -0.482 25660 6841 1 13 . 1 1 63 63 THR C C 63 177.971 177.971 175.582 2.389 25660 6842 1 13 . 1 1 63 63 THR CA C 63 63.601 63.601 62.700 0.901 25660 6843 1 13 . 1 1 63 63 THR CB C 63 68.918 68.918 70.735 -1.817 25660 6844 1 13 . 1 1 63 63 THR H H 63 8.246 8.246 7.623 0.623 25660 6845 1 13 . 1 1 64 64 LEU N N 64 121.355 121.355 123.715 -2.360 25660 6846 1 13 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.213 0.020 25660 6847 1 13 . 1 1 64 64 LEU C C 64 178.628 178.628 178.837 -0.209 25660 6848 1 13 . 1 1 64 64 LEU CA C 64 58.314 58.314 58.605 -0.291 25660 6849 1 13 . 1 1 64 64 LEU CB C 64 42.355 42.355 42.084 0.271 25660 6850 1 13 . 1 1 64 64 LEU H H 64 8.809 8.809 9.020 -0.211 25660 6851 1 13 . 1 1 65 65 MET N N 65 118.519 118.519 117.505 1.014 25660 6852 1 13 . 1 1 65 65 MET HA H 65 3.896 3.896 4.026 -0.130 25660 6853 1 13 . 1 1 65 65 MET C C 65 177.782 177.782 178.007 -0.225 25660 6854 1 13 . 1 1 65 65 MET CA C 65 57.910 57.910 60.134 -2.224 25660 6855 1 13 . 1 1 65 65 MET CB C 65 31.019 31.019 32.554 -1.535 25660 6856 1 13 . 1 1 65 65 MET H H 65 7.934 7.934 7.660 0.274 25660 6857 1 13 . 1 1 66 66 GLU N N 66 117.027 117.027 118.845 -1.818 25660 6858 1 13 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.099 -0.141 25660 6859 1 13 . 1 1 66 66 GLU C C 66 178.928 178.928 178.466 0.462 25660 6860 1 13 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.202 -0.099 25660 6861 1 13 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.078 0.599 25660 6862 1 13 . 1 1 66 66 GLU H H 66 6.795 6.795 8.262 -1.467 25660 6863 1 13 . 1 1 67 67 TYR N N 67 120.608 120.608 121.972 -1.364 25660 6864 1 13 . 1 1 67 67 TYR HA H 67 3.501 3.501 3.655 -0.154 25660 6865 1 13 . 1 1 67 67 TYR C C 67 176.312 176.312 177.652 -1.340 25660 6866 1 13 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.347 -1.436 25660 6867 1 13 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.670 1.448 25660 6868 1 13 . 1 1 67 67 TYR H H 67 8.170 8.170 7.921 0.249 25660 6869 1 13 . 1 1 68 68 LEU N N 68 109.278 109.278 118.569 -9.291 25660 6870 1 13 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.853 -0.867 25660 6871 1 13 . 1 1 68 68 LEU C C 68 176.652 176.652 178.934 -2.282 25660 6872 1 13 . 1 1 68 68 LEU CA C 68 55.211 55.211 57.157 -1.946 25660 6873 1 13 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.550 -0.362 25660 6874 1 13 . 1 1 68 68 LEU H H 68 8.108 8.108 8.441 -0.333 25660 6875 1 13 . 1 1 69 69 GLU N N 69 119.118 119.118 119.888 -0.770 25660 6876 1 13 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.243 -0.383 25660 6877 1 13 . 1 1 69 69 GLU C C 69 176.033 176.033 176.002 0.031 25660 6878 1 13 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.080 -0.553 25660 6879 1 13 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.437 -0.888 25660 6880 1 13 . 1 1 69 69 GLU H H 69 6.783 6.783 8.254 -1.471 25660 6881 1 13 . 1 1 70 70 ASN N N 70 105.553 105.553 111.047 -5.494 25660 6882 1 13 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.383 -1.252 25660 6883 1 13 . 1 1 70 70 ASN C C 70 172.247 172.247 173.025 -0.778 25660 6884 1 13 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.394 -0.029 25660 6885 1 13 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.669 -1.872 25660 6886 1 13 . 1 1 70 70 ASN H H 70 6.092 6.092 7.754 -1.662 25660 6887 1 13 . 1 1 71 71 PRO HA H 71 3.517 3.517 4.041 -0.524 25660 6888 1 13 . 1 1 71 71 PRO C C 71 176.414 176.414 178.112 -1.698 25660 6889 1 13 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.226 0.446 25660 6890 1 13 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.744 -1.809 25660 6891 1 13 . 1 1 72 72 LYS N N 72 113.454 113.454 115.887 -2.433 25660 6892 1 13 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.302 -0.587 25660 6893 1 13 . 1 1 72 72 LYS C C 72 177.234 177.234 178.294 -1.060 25660 6894 1 13 . 1 1 72 72 LYS CA C 72 57.046 57.046 57.936 -0.890 25660 6895 1 13 . 1 1 72 72 LYS CB C 72 31.565 31.565 30.723 0.842 25660 6896 1 13 . 1 1 72 72 LYS H H 72 7.457 7.457 8.299 -0.842 25660 6897 1 13 . 1 1 73 73 LYS N N 73 118.522 118.522 120.181 -1.659 25660 6898 1 13 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.287 -0.497 25660 6899 1 13 . 1 1 73 73 LYS C C 73 176.890 176.890 177.592 -0.702 25660 6900 1 13 . 1 1 73 73 LYS CA C 73 57.407 57.407 57.740 -0.333 25660 6901 1 13 . 1 1 73 73 LYS CB C 73 32.899 32.899 33.011 -0.112 25660 6902 1 13 . 1 1 73 73 LYS H H 73 6.855 6.855 7.546 -0.691 25660 6903 1 13 . 1 1 74 74 TYR N N 74 118.674 118.674 119.367 -0.693 25660 6904 1 13 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.321 -0.090 25660 6905 1 13 . 1 1 74 74 TYR C C 74 175.794 175.794 175.571 0.223 25660 6906 1 13 . 1 1 74 74 TYR CA C 74 60.721 60.721 61.231 -0.510 25660 6907 1 13 . 1 1 74 74 TYR CB C 74 39.536 39.536 40.188 -0.652 25660 6908 1 13 . 1 1 74 74 TYR H H 74 7.219 7.219 8.132 -0.913 25660 6909 1 13 . 1 1 75 75 ILE N N 75 114.346 114.346 118.188 -3.842 25660 6910 1 13 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.573 -0.506 25660 6911 1 13 . 1 1 75 75 ILE C C 75 179.773 179.773 174.037 5.736 25660 6912 1 13 . 1 1 75 75 ILE CA C 75 58.474 58.474 56.825 1.649 25660 6913 1 13 . 1 1 75 75 ILE CB C 75 37.615 37.615 38.687 -1.072 25660 6914 1 13 . 1 1 75 75 ILE H H 75 8.189 8.189 8.309 -0.120 25660 6915 1 13 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.829 -0.352 25660 6916 1 13 . 1 1 76 76 PRO C C 76 178.583 178.583 177.140 1.443 25660 6917 1 13 . 1 1 76 76 PRO CA C 76 64.021 64.021 62.781 1.240 25660 6918 1 13 . 1 1 76 76 PRO CB C 76 31.137 31.137 30.299 0.838 25660 6919 1 13 . 1 1 77 77 GLY N N 77 108.831 108.831 111.037 -2.206 25660 6920 1 13 . 1 1 77 77 GLY C C 77 174.866 174.866 174.254 0.612 25660 6921 1 13 . 1 1 77 77 GLY CA C 77 44.314 44.314 45.431 -1.117 25660 6922 1 13 . 1 1 77 77 GLY H H 77 8.563 8.563 8.323 0.240 25660 6923 1 13 . 1 1 78 78 THR N N 78 115.541 115.541 116.404 -0.863 25660 6924 1 13 . 1 1 78 78 THR HA H 78 4.226 4.226 4.388 -0.162 25660 6925 1 13 . 1 1 78 78 THR C C 78 173.114 173.114 175.740 -2.626 25660 6926 1 13 . 1 1 78 78 THR CA C 78 61.759 61.759 63.017 -1.258 25660 6927 1 13 . 1 1 78 78 THR CB C 78 67.910 67.910 69.842 -1.932 25660 6928 1 13 . 1 1 78 78 THR H H 78 7.922 7.922 7.846 0.076 25660 6929 1 13 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.371 0.010 25660 6930 1 13 . 1 1 79 79 LYS C C 79 175.845 175.845 176.790 -0.945 25660 6931 1 13 . 1 1 79 79 LYS CA C 79 55.526 55.526 55.943 -0.417 25660 6932 1 13 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.724 -0.421 25660 6933 1 13 . 1 1 80 80 MET N N 80 123.515 123.515 121.904 1.611 25660 6934 1 13 . 1 1 80 80 MET HA H 80 2.934 2.934 4.384 -1.450 25660 6935 1 13 . 1 1 80 80 MET C C 80 171.833 171.833 175.399 -3.566 25660 6936 1 13 . 1 1 80 80 MET CA C 80 55.863 55.863 56.106 -0.243 25660 6937 1 13 . 1 1 80 80 MET CB C 80 27.552 27.552 32.694 -5.142 25660 6938 1 13 . 1 1 80 80 MET H H 80 7.384 7.384 7.484 -0.100 25660 6939 1 13 . 1 1 81 81 ILE N N 81 130.146 130.146 129.641 0.505 25660 6940 1 13 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.219 -0.734 25660 6941 1 13 . 1 1 81 81 ILE C C 81 173.220 173.220 175.200 -1.980 25660 6942 1 13 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.603 -1.318 25660 6943 1 13 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.159 -0.547 25660 6944 1 13 . 1 1 81 81 ILE H H 81 7.856 7.856 8.695 -0.839 25660 6945 1 13 . 1 1 82 82 PHE N N 82 123.143 123.143 127.067 -3.924 25660 6946 1 13 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.899 -0.572 25660 6947 1 13 . 1 1 82 82 PHE C C 82 174.333 174.333 173.923 0.410 25660 6948 1 13 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.126 -0.548 25660 6949 1 13 . 1 1 82 82 PHE CB C 82 40.644 40.644 43.015 -2.371 25660 6950 1 13 . 1 1 82 82 PHE H H 82 6.529 6.529 8.000 -1.471 25660 6951 1 13 . 1 1 83 83 VAL N N 83 125.079 125.079 124.703 0.376 25660 6952 1 13 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.984 -0.698 25660 6953 1 13 . 1 1 83 83 VAL C C 83 174.444 174.444 175.898 -1.454 25660 6954 1 13 . 1 1 83 83 VAL CA C 83 64.273 64.273 63.715 0.558 25660 6955 1 13 . 1 1 83 83 VAL CB C 83 31.352 31.352 31.971 -0.619 25660 6956 1 13 . 1 1 83 83 VAL H H 83 7.739 7.739 7.791 -0.052 25660 6957 1 13 . 1 1 84 84 GLY C C 84 172.113 172.113 172.955 -0.842 25660 6958 1 13 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.735 -1.899 25660 6959 1 13 . 1 1 85 85 ILE N N 85 120.758 120.758 120.156 0.602 25660 6960 1 13 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.426 -0.290 25660 6961 1 13 . 1 1 85 85 ILE C C 85 175.103 175.103 176.616 -1.513 25660 6962 1 13 . 1 1 85 85 ILE CA C 85 59.390 59.390 59.986 -0.596 25660 6963 1 13 . 1 1 85 85 ILE CB C 85 39.528 39.528 40.243 -0.715 25660 6964 1 13 . 1 1 85 85 ILE H H 85 8.327 8.327 8.472 -0.145 25660 6965 1 13 . 1 1 86 86 LYS N N 86 127.466 127.466 124.614 2.852 25660 6966 1 13 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.330 -0.358 25660 6967 1 13 . 1 1 86 86 LYS C C 86 178.442 178.442 176.388 2.054 25660 6968 1 13 . 1 1 86 86 LYS CA C 86 58.619 58.619 57.608 1.011 25660 6969 1 13 . 1 1 86 86 LYS CB C 86 32.343 32.343 33.015 -0.672 25660 6970 1 13 . 1 1 86 86 LYS H H 86 8.518 8.518 8.560 -0.042 25660 6971 1 13 . 1 1 87 87 LYS N N 87 120.309 120.309 121.154 -0.845 25660 6972 1 13 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.426 -0.179 25660 6973 1 13 . 1 1 87 87 LYS C C 87 177.569 177.569 176.877 0.692 25660 6974 1 13 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.435 1.430 25660 6975 1 13 . 1 1 87 87 LYS CB C 87 32.531 32.531 32.090 0.441 25660 6976 1 13 . 1 1 87 87 LYS H H 87 8.368 8.368 8.164 0.204 25660 6977 1 13 . 1 1 88 88 LYS N N 88 129.999 129.999 127.571 2.428 25660 6978 1 13 . 1 1 88 88 LYS HA H 88 3.562 3.562 3.930 -0.368 25660 6979 1 13 . 1 1 88 88 LYS C C 88 177.664 177.664 178.111 -0.447 25660 6980 1 13 . 1 1 88 88 LYS CA C 88 60.314 60.314 59.843 0.471 25660 6981 1 13 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.706 -0.623 25660 6982 1 13 . 1 1 88 88 LYS H H 88 9.151 9.151 8.872 0.279 25660 6983 1 13 . 1 1 89 89 GLU N N 89 117.925 117.925 115.579 2.346 25660 6984 1 13 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.124 -0.225 25660 6985 1 13 . 1 1 89 89 GLU C C 89 177.911 177.911 178.147 -0.236 25660 6986 1 13 . 1 1 89 89 GLU CA C 89 59.760 59.760 58.854 0.906 25660 6987 1 13 . 1 1 89 89 GLU CB C 89 28.814 28.814 29.023 -0.210 25660 6988 1 13 . 1 1 89 89 GLU H H 89 9.462 9.462 8.738 0.724 25660 6989 1 13 . 1 1 90 90 GLU N N 90 116.437 116.437 119.874 -3.437 25660 6990 1 13 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.187 0.011 25660 6991 1 13 . 1 1 90 90 GLU C C 90 178.730 178.730 178.773 -0.043 25660 6992 1 13 . 1 1 90 90 GLU CA C 90 58.277 58.277 58.691 -0.414 25660 6993 1 13 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.658 0.332 25660 6994 1 13 . 1 1 90 90 GLU H H 90 6.347 6.347 7.603 -1.256 25660 6995 1 13 . 1 1 91 91 ARG N N 91 117.405 117.405 119.313 -1.908 25660 6996 1 13 . 1 1 91 91 ARG HA H 91 3.740 3.740 4.027 -0.287 25660 6997 1 13 . 1 1 91 91 ARG C C 91 177.430 177.430 178.168 -0.738 25660 6998 1 13 . 1 1 91 91 ARG CA C 91 61.182 61.182 58.984 2.197 25660 6999 1 13 . 1 1 91 91 ARG CB C 91 31.106 31.106 29.588 1.518 25660 7000 1 13 . 1 1 91 91 ARG H H 91 7.423 7.423 7.742 -0.319 25660 7001 1 13 . 1 1 92 92 ALA N N 92 120.161 120.161 120.315 -0.154 25660 7002 1 13 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.149 -0.179 25660 7003 1 13 . 1 1 92 92 ALA C C 92 181.044 181.044 178.764 2.280 25660 7004 1 13 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.807 0.474 25660 7005 1 13 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.374 -0.835 25660 7006 1 13 . 1 1 92 92 ALA H H 92 8.668 8.668 7.768 0.900 25660 7007 1 13 . 1 1 93 93 ASP N N 93 122.101 122.101 119.846 2.255 25660 7008 1 13 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.600 -0.392 25660 7009 1 13 . 1 1 93 93 ASP C C 93 177.634 177.634 178.016 -0.382 25660 7010 1 13 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.033 1.114 25660 7011 1 13 . 1 1 93 93 ASP CB C 93 39.552 39.552 41.436 -1.884 25660 7012 1 13 . 1 1 93 93 ASP H H 93 8.153 8.153 7.672 0.481 25660 7013 1 13 . 1 1 94 94 LEU N N 94 121.208 121.208 123.235 -2.027 25660 7014 1 13 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.116 0.089 25660 7015 1 13 . 1 1 94 94 LEU C C 94 178.395 178.395 178.952 -0.557 25660 7016 1 13 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.287 0.008 25660 7017 1 13 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.289 -0.578 25660 7018 1 13 . 1 1 94 94 LEU H H 94 8.183 8.183 8.171 0.012 25660 7019 1 13 . 1 1 95 95 ILE N N 95 120.159 120.159 117.673 2.486 25660 7020 1 13 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.686 -0.077 25660 7021 1 13 . 1 1 95 95 ILE C C 95 176.351 176.351 177.372 -1.021 25660 7022 1 13 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.174 1.048 25660 7023 1 13 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.490 0.178 25660 7024 1 13 . 1 1 95 95 ILE H H 95 8.974 8.974 8.617 0.357 25660 7025 1 13 . 1 1 96 96 ALA N N 96 123.001 123.001 123.266 -0.265 25660 7026 1 13 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.972 0.054 25660 7027 1 13 . 1 1 96 96 ALA C C 96 180.700 180.700 179.537 1.163 25660 7028 1 13 . 1 1 96 96 ALA CA C 96 54.933 54.933 55.029 -0.096 25660 7029 1 13 . 1 1 96 96 ALA CB C 96 16.970 16.970 17.931 -0.961 25660 7030 1 13 . 1 1 96 96 ALA H H 96 7.974 7.974 7.625 0.349 25660 7031 1 13 . 1 1 97 97 TYR N N 97 118.224 118.224 120.110 -1.886 25660 7032 1 13 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.075 0.122 25660 7033 1 13 . 1 1 97 97 TYR C C 97 176.278 176.278 177.339 -1.061 25660 7034 1 13 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.808 1.648 25660 7035 1 13 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.199 -1.256 25660 7036 1 13 . 1 1 97 97 TYR H H 97 8.089 8.089 8.185 -0.096 25660 7037 1 13 . 1 1 98 98 LEU N N 98 119.118 119.118 118.870 0.248 25660 7038 1 13 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.309 0.025 25660 7039 1 13 . 1 1 98 98 LEU C C 98 179.188 179.188 179.005 0.183 25660 7040 1 13 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.862 -0.212 25660 7041 1 13 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.445 0.200 25660 7042 1 13 . 1 1 98 98 LEU H H 98 8.982 8.982 8.521 0.461 25660 7043 1 13 . 1 1 99 99 LYS N N 99 123.889 123.889 118.734 5.155 25660 7044 1 13 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.446 -0.897 25660 7045 1 13 . 1 1 99 99 LYS C C 99 176.653 176.653 178.989 -2.336 25660 7046 1 13 . 1 1 99 99 LYS CA C 99 59.190 59.190 58.915 0.275 25660 7047 1 13 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.741 0.128 25660 7048 1 13 . 1 1 99 99 LYS H H 99 8.945 8.945 8.087 0.858 25660 7049 1 13 . 1 1 100 100 LYS N N 100 116.726 116.726 118.711 -1.985 25660 7050 1 13 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.044 -0.068 25660 7051 1 13 . 1 1 100 100 LYS C C 100 178.363 178.363 177.738 0.625 25660 7052 1 13 . 1 1 100 100 LYS CA C 100 57.655 57.655 58.119 -0.464 25660 7053 1 13 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.330 0.845 25660 7054 1 13 . 1 1 100 100 LYS H H 100 6.724 6.724 7.339 -0.615 25660 7055 1 13 . 1 1 101 101 ALA N N 101 119.416 119.416 118.043 1.373 25660 7056 1 13 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.210 -0.415 25660 7057 1 13 . 1 1 101 101 ALA C C 101 179.576 179.576 178.644 0.932 25660 7058 1 13 . 1 1 101 101 ALA CA C 101 54.401 54.401 54.027 0.374 25660 7059 1 13 . 1 1 101 101 ALA CB C 101 18.353 18.353 18.938 -0.585 25660 7060 1 13 . 1 1 101 101 ALA H H 101 8.539 8.539 7.981 0.558 25660 7061 1 13 . 1 1 102 102 THR N N 102 101.974 101.974 106.528 -4.554 25660 7062 1 13 . 1 1 102 102 THR HA H 102 4.157 4.157 3.611 0.546 25660 7063 1 13 . 1 1 102 102 THR C C 102 172.872 172.872 174.699 -1.827 25660 7064 1 13 . 1 1 102 102 THR CA C 102 61.954 61.954 61.889 0.065 25660 7065 1 13 . 1 1 102 102 THR CB C 102 69.403 69.403 69.908 -0.505 25660 7066 1 13 . 1 1 102 102 THR H H 102 7.810 7.810 8.022 -0.212 25660 7067 1 13 . 1 1 103 103 ASN N N 103 118.372 118.372 118.276 0.096 25660 7068 1 13 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.758 0.009 25660 7069 1 13 . 1 1 103 103 ASN C C 103 173.663 173.663 174.562 -0.899 25660 7070 1 13 . 1 1 103 103 ASN CA C 103 52.469 52.469 53.045 -0.576 25660 7071 1 13 . 1 1 103 103 ASN CB C 103 41.376 41.376 39.080 2.296 25660 7072 1 13 . 1 1 103 103 ASN H H 103 6.968 6.968 7.770 -0.802 25660 7073 1 14 . 1 1 2 2 ASP N N 2 124.691 124.691 122.288 2.403 25660 7074 1 14 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.918 -0.143 25660 7075 1 14 . 1 1 2 2 ASP C C 2 175.662 175.662 175.429 0.233 25660 7076 1 14 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.328 0.444 25660 7077 1 14 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.644 -1.331 25660 7078 1 14 . 1 1 2 2 ASP H H 2 9.541 9.541 8.659 0.882 25660 7079 1 14 . 1 1 3 3 VAL N N 3 123.739 123.739 118.569 5.170 25660 7080 1 14 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.946 -0.396 25660 7081 1 14 . 1 1 3 3 VAL C C 3 177.302 177.302 177.401 -0.099 25660 7082 1 14 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.744 0.202 25660 7083 1 14 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.229 -0.264 25660 7084 1 14 . 1 1 3 3 VAL H H 3 8.569 8.569 8.341 0.228 25660 7085 1 14 . 1 1 4 4 GLU N N 4 120.310 120.310 119.251 1.059 25660 7086 1 14 . 1 1 4 4 GLU HA H 4 4.008 4.008 3.941 0.067 25660 7087 1 14 . 1 1 4 4 GLU C C 4 180.515 180.515 179.113 1.402 25660 7088 1 14 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.525 -0.562 25660 7089 1 14 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.295 -0.816 25660 7090 1 14 . 1 1 4 4 GLU H H 4 8.083 8.083 8.038 0.045 25660 7091 1 14 . 1 1 5 5 LYS N N 5 121.058 121.058 119.035 2.023 25660 7092 1 14 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.158 -0.259 25660 7093 1 14 . 1 1 5 5 LYS C C 5 180.515 180.515 179.368 1.147 25660 7094 1 14 . 1 1 5 5 LYS CA C 5 59.459 59.459 58.621 0.838 25660 7095 1 14 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.210 0.244 25660 7096 1 14 . 1 1 5 5 LYS H H 5 8.096 8.096 7.663 0.433 25660 7097 1 14 . 1 1 6 6 GLY N N 6 107.193 107.193 108.747 -1.554 25660 7098 1 14 . 1 1 6 6 GLY C C 6 174.012 174.012 175.746 -1.734 25660 7099 1 14 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.930 -0.451 25660 7100 1 14 . 1 1 6 6 GLY H H 6 8.709 8.709 8.185 0.524 25660 7101 1 14 . 1 1 7 7 LYS N N 7 124.124 124.124 120.685 3.439 25660 7102 1 14 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.395 -1.235 25660 7103 1 14 . 1 1 7 7 LYS C C 7 177.457 177.457 179.062 -1.605 25660 7104 1 14 . 1 1 7 7 LYS CA C 7 59.052 59.052 58.647 0.405 25660 7105 1 14 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.349 0.755 25660 7106 1 14 . 1 1 7 7 LYS H H 7 8.039 8.039 7.990 0.049 25660 7107 1 14 . 1 1 8 8 LYS N N 8 116.732 116.732 118.146 -1.414 25660 7108 1 14 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.119 -0.304 25660 7109 1 14 . 1 1 8 8 LYS C C 8 179.228 179.228 179.398 -0.170 25660 7110 1 14 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.856 0.466 25660 7111 1 14 . 1 1 8 8 LYS CB C 8 31.815 31.815 32.020 -0.205 25660 7112 1 14 . 1 1 8 8 LYS H H 8 6.958 6.958 7.730 -0.772 25660 7113 1 14 . 1 1 9 9 ILE N N 9 119.269 119.269 119.938 -0.669 25660 7114 1 14 . 1 1 9 9 ILE HA H 9 3.719 3.719 4.038 -0.319 25660 7115 1 14 . 1 1 9 9 ILE C C 9 177.006 177.006 177.702 -0.696 25660 7116 1 14 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.183 2.922 25660 7117 1 14 . 1 1 9 9 ILE CB C 9 37.562 37.562 37.432 0.130 25660 7118 1 14 . 1 1 9 9 ILE H H 9 7.681 7.681 7.492 0.189 25660 7119 1 14 . 1 1 10 10 PHE N N 10 120.908 120.908 122.470 -1.562 25660 7120 1 14 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.338 -0.365 25660 7121 1 14 . 1 1 10 10 PHE C C 10 178.820 178.820 177.814 1.006 25660 7122 1 14 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.889 0.275 25660 7123 1 14 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.622 -0.245 25660 7124 1 14 . 1 1 10 10 PHE H H 10 8.635 8.635 7.823 0.812 25660 7125 1 14 . 1 1 11 11 ILE N N 11 121.053 121.053 117.622 3.431 25660 7126 1 14 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.817 -0.501 25660 7127 1 14 . 1 1 11 11 ILE C C 11 178.867 178.867 177.459 1.408 25660 7128 1 14 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.484 1.139 25660 7129 1 14 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.928 -0.311 25660 7130 1 14 . 1 1 11 11 ILE H H 11 8.834 8.834 8.350 0.484 25660 7131 1 14 . 1 1 12 12 MET N N 12 117.328 117.328 118.599 -1.271 25660 7132 1 14 . 1 1 12 12 MET HA H 12 4.219 4.219 4.264 -0.045 25660 7133 1 14 . 1 1 12 12 MET C C 12 177.972 177.972 177.545 0.427 25660 7134 1 14 . 1 1 12 12 MET CA C 12 58.560 58.560 58.293 0.267 25660 7135 1 14 . 1 1 12 12 MET CB C 12 33.675 33.675 33.243 0.432 25660 7136 1 14 . 1 1 12 12 MET H H 12 8.047 8.047 7.671 0.376 25660 7137 1 14 . 1 1 13 13 LYS N N 13 113.452 113.452 116.203 -2.751 25660 7138 1 14 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.482 0.453 25660 7139 1 14 . 1 1 13 13 LYS C C 13 177.353 177.353 177.291 0.062 25660 7140 1 14 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.722 -0.462 25660 7141 1 14 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.092 1.107 25660 7142 1 14 . 1 1 13 13 LYS H H 13 9.016 9.016 7.907 1.109 25660 7143 1 14 . 1 1 14 14 CYS N N 14 115.390 115.390 117.595 -2.205 25660 7144 1 14 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.550 0.746 25660 7145 1 14 . 1 1 14 14 CYS C C 14 177.723 177.723 175.891 1.832 25660 7146 1 14 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.886 -5.767 25660 7147 1 14 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.477 8.307 25660 7148 1 14 . 1 1 14 14 CYS H H 14 8.130 8.130 8.434 -0.304 25660 7149 1 14 . 1 1 15 15 SER N N 15 114.347 114.347 117.985 -3.638 25660 7150 1 14 . 1 1 15 15 SER HA H 15 3.768 3.768 3.892 -0.124 25660 7151 1 14 . 1 1 15 15 SER C C 15 174.272 174.272 176.149 -1.877 25660 7152 1 14 . 1 1 15 15 SER CA C 15 60.587 60.587 61.644 -1.057 25660 7153 1 14 . 1 1 15 15 SER CB C 15 62.483 62.483 63.160 -0.677 25660 7154 1 14 . 1 1 15 15 SER H H 15 7.297 7.297 8.120 -0.823 25660 7155 1 14 . 1 1 16 16 GLN N N 16 120.608 120.608 117.943 2.665 25660 7156 1 14 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.092 -0.183 25660 7157 1 14 . 1 1 16 16 GLN C C 16 176.559 176.559 177.007 -0.448 25660 7158 1 14 . 1 1 16 16 GLN CA C 16 57.938 57.938 58.212 -0.274 25660 7159 1 14 . 1 1 16 16 GLN CB C 16 27.900 27.900 27.879 0.021 25660 7160 1 14 . 1 1 16 16 GLN H H 16 8.879 8.879 8.650 0.229 25660 7161 1 14 . 1 1 17 17 CYS N N 17 112.857 112.857 117.123 -4.266 25660 7162 1 14 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.469 -0.385 25660 7163 1 14 . 1 1 17 17 CYS C C 17 171.419 171.419 174.581 -3.162 25660 7164 1 14 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.375 -5.408 25660 7165 1 14 . 1 1 17 17 CYS CB C 17 38.172 38.172 29.189 8.982 25660 7166 1 14 . 1 1 17 17 CYS H H 17 6.805 6.805 8.033 -1.228 25660 7167 1 14 . 1 1 18 18 HIS N N 18 113.603 113.603 118.166 -4.563 25660 7168 1 14 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.387 -1.765 25660 7169 1 14 . 1 1 18 18 HIS CA C 18 53.514 53.514 56.061 -2.547 25660 7170 1 14 . 1 1 18 18 HIS CB C 18 31.916 31.916 32.049 -0.133 25660 7171 1 14 . 1 1 18 18 HIS H H 18 6.223 6.223 8.464 -2.241 25660 7172 1 14 . 1 1 19 19 THR N N 19 109.280 109.280 115.050 -5.770 25660 7173 1 14 . 1 1 19 19 THR HA H 19 4.413 4.413 4.859 -0.446 25660 7174 1 14 . 1 1 19 19 THR C C 19 174.026 174.026 173.991 0.035 25660 7175 1 14 . 1 1 19 19 THR CA C 19 58.557 58.557 61.133 -2.576 25660 7176 1 14 . 1 1 19 19 THR CB C 19 71.176 71.176 71.642 -0.466 25660 7177 1 14 . 1 1 19 19 THR H H 19 7.636 7.636 8.551 -0.915 25660 7178 1 14 . 1 1 20 20 VAL N N 20 110.620 110.620 115.461 -4.841 25660 7179 1 14 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.711 -0.946 25660 7180 1 14 . 1 1 20 20 VAL C C 20 173.470 173.470 175.434 -1.964 25660 7181 1 14 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.590 0.204 25660 7182 1 14 . 1 1 20 20 VAL CB C 20 33.427 33.427 33.441 -0.014 25660 7183 1 14 . 1 1 20 20 VAL H H 20 7.675 7.675 8.533 -0.858 25660 7184 1 14 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.172 -0.038 25660 7185 1 14 . 1 1 21 21 GLU C C 21 177.538 177.538 176.051 1.487 25660 7186 1 14 . 1 1 21 21 GLU CA C 21 56.452 56.452 56.397 0.055 25660 7187 1 14 . 1 1 21 21 GLU CB C 21 29.646 29.646 30.542 -0.896 25660 7188 1 14 . 1 1 22 22 LYS N N 22 126.123 126.123 124.603 1.520 25660 7189 1 14 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.543 -0.491 25660 7190 1 14 . 1 1 22 22 LYS C C 22 177.538 177.538 177.857 -0.319 25660 7191 1 14 . 1 1 22 22 LYS CA C 22 57.749 57.749 57.160 0.589 25660 7192 1 14 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.553 -1.612 25660 7193 1 14 . 1 1 22 22 LYS H H 22 8.717 8.717 8.509 0.208 25660 7194 1 14 . 1 1 23 23 GLY N N 23 117.177 117.177 109.869 7.308 25660 7195 1 14 . 1 1 23 23 GLY C C 23 174.531 174.531 174.233 0.298 25660 7196 1 14 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.907 -0.001 25660 7197 1 14 . 1 1 23 23 GLY H H 23 9.078 9.078 8.756 0.322 25660 7198 1 14 . 1 1 24 24 GLY N N 24 107.042 107.042 109.158 -2.116 25660 7199 1 14 . 1 1 24 24 GLY C C 24 172.234 172.234 172.728 -0.494 25660 7200 1 14 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.573 -0.427 25660 7201 1 14 . 1 1 24 24 GLY H H 24 7.730 7.730 7.547 0.183 25660 7202 1 14 . 1 1 25 25 LYS N N 25 118.452 118.452 121.941 -3.489 25660 7203 1 14 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.706 -0.873 25660 7204 1 14 . 1 1 25 25 LYS C C 25 178.209 178.209 174.959 3.250 25660 7205 1 14 . 1 1 25 25 LYS CA C 25 55.712 55.712 54.924 0.788 25660 7206 1 14 . 1 1 25 25 LYS CB C 25 32.861 32.861 35.711 -2.850 25660 7207 1 14 . 1 1 25 25 LYS H H 25 8.222 8.222 8.970 -0.748 25660 7208 1 14 . 1 1 26 26 HIS N N 26 122.465 122.465 125.267 -2.802 25660 7209 1 14 . 1 1 26 26 HIS HA H 26 4.192 4.192 5.029 -0.837 25660 7210 1 14 . 1 1 26 26 HIS C C 26 175.081 175.081 174.779 0.302 25660 7211 1 14 . 1 1 26 26 HIS CA C 26 55.813 55.813 56.150 -0.337 25660 7212 1 14 . 1 1 26 26 HIS CB C 26 30.173 30.173 30.729 -0.556 25660 7213 1 14 . 1 1 26 26 HIS H H 26 8.545 8.545 8.664 -0.119 25660 7214 1 14 . 1 1 27 27 LYS N N 27 126.571 126.571 124.880 1.691 25660 7215 1 14 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.730 -0.360 25660 7216 1 14 . 1 1 27 27 LYS C C 27 175.781 175.781 176.539 -0.758 25660 7217 1 14 . 1 1 27 27 LYS CA C 27 55.066 55.066 55.056 0.010 25660 7218 1 14 . 1 1 27 27 LYS CB C 27 30.731 30.731 33.639 -2.908 25660 7219 1 14 . 1 1 27 27 LYS H H 27 7.439 7.439 7.562 -0.123 25660 7220 1 14 . 1 1 28 28 THR HA H 28 4.017 4.017 4.119 -0.102 25660 7221 1 14 . 1 1 28 28 THR C C 28 174.931 174.931 175.072 -0.141 25660 7222 1 14 . 1 1 28 28 THR CA C 28 67.083 67.083 64.142 2.941 25660 7223 1 14 . 1 1 28 28 THR CB C 28 69.766 69.766 68.923 0.843 25660 7224 1 14 . 1 1 29 29 GLY N N 29 106.150 106.150 108.539 -2.389 25660 7225 1 14 . 1 1 29 29 GLY C C 29 169.328 169.328 171.625 -2.297 25660 7226 1 14 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.653 -1.771 25660 7227 1 14 . 1 1 29 29 GLY H H 29 7.548 7.548 7.551 -0.003 25660 7228 1 14 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.796 -1.206 25660 7229 1 14 . 1 1 30 30 PRO CA C 30 60.269 60.269 61.890 -1.621 25660 7230 1 14 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.558 -2.538 25660 7231 1 14 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.698 -0.675 25660 7232 1 14 . 1 1 31 31 ASN C C 31 176.303 176.303 176.201 0.102 25660 7233 1 14 . 1 1 31 31 ASN CA C 31 54.344 54.344 53.062 1.282 25660 7234 1 14 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.559 1.226 25660 7235 1 14 . 1 1 31 31 ASN H H 31 10.198 10.198 8.407 1.791 25660 7236 1 14 . 1 1 32 32 LEU N N 32 121.653 121.653 114.918 6.735 25660 7237 1 14 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.800 0.067 25660 7238 1 14 . 1 1 32 32 LEU C C 32 174.533 174.533 175.453 -0.920 25660 7239 1 14 . 1 1 32 32 LEU CA C 32 53.287 53.287 56.215 -2.928 25660 7240 1 14 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.446 1.075 25660 7241 1 14 . 1 1 32 32 LEU H H 32 7.889 7.889 8.101 -0.212 25660 7242 1 14 . 1 1 33 33 HIS N N 33 119.860 119.860 118.353 1.507 25660 7243 1 14 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.373 -0.666 25660 7244 1 14 . 1 1 33 33 HIS C C 33 176.992 176.992 175.275 1.717 25660 7245 1 14 . 1 1 33 33 HIS CA C 33 60.491 60.491 56.318 4.173 25660 7246 1 14 . 1 1 33 33 HIS CB C 33 28.223 28.223 28.434 -0.211 25660 7247 1 14 . 1 1 33 33 HIS H H 33 7.445 7.445 8.158 -0.713 25660 7248 1 14 . 1 1 34 34 GLY N N 34 114.645 114.645 110.638 4.007 25660 7249 1 14 . 1 1 34 34 GLY C C 34 174.473 174.473 173.601 0.872 25660 7250 1 14 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.369 0.344 25660 7251 1 14 . 1 1 34 34 GLY H H 34 8.763 8.763 8.195 0.568 25660 7252 1 14 . 1 1 35 35 LEU N N 35 117.774 117.774 122.052 -4.278 25660 7253 1 14 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.183 -0.656 25660 7254 1 14 . 1 1 35 35 LEU C C 35 176.507 176.507 175.944 0.563 25660 7255 1 14 . 1 1 35 35 LEU CA C 35 57.459 57.459 56.440 1.019 25660 7256 1 14 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.637 1.171 25660 7257 1 14 . 1 1 35 35 LEU H H 35 7.010 7.010 7.530 -0.520 25660 7258 1 14 . 1 1 36 36 PHE N N 36 113.600 113.600 117.577 -3.977 25660 7259 1 14 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.683 -0.835 25660 7260 1 14 . 1 1 36 36 PHE C C 36 176.553 176.553 176.718 -0.165 25660 7261 1 14 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.248 0.454 25660 7262 1 14 . 1 1 36 36 PHE CB C 36 36.223 36.223 37.722 -1.499 25660 7263 1 14 . 1 1 36 36 PHE H H 36 8.694 8.694 8.159 0.535 25660 7264 1 14 . 1 1 37 37 GLY N N 37 112.857 112.857 114.152 -1.295 25660 7265 1 14 . 1 1 37 37 GLY C C 37 173.382 173.382 173.339 0.043 25660 7266 1 14 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.800 -0.344 25660 7267 1 14 . 1 1 37 37 GLY H H 37 8.839 8.839 8.654 0.185 25660 7268 1 14 . 1 1 38 38 ARG N N 38 124.035 124.035 119.732 4.303 25660 7269 1 14 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.713 -0.264 25660 7270 1 14 . 1 1 38 38 ARG C C 38 174.415 174.415 174.187 0.228 25660 7271 1 14 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.834 0.930 25660 7272 1 14 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.861 -0.450 25660 7273 1 14 . 1 1 38 38 ARG H H 38 8.215 8.215 8.221 -0.006 25660 7274 1 14 . 1 1 39 39 LYS N N 39 123.290 123.290 120.523 2.767 25660 7275 1 14 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.599 0.248 25660 7276 1 14 . 1 1 39 39 LYS C C 39 172.219 172.219 175.705 -3.486 25660 7277 1 14 . 1 1 39 39 LYS CA C 39 55.199 55.199 55.105 0.094 25660 7278 1 14 . 1 1 39 39 LYS CB C 39 33.682 33.682 36.200 -2.518 25660 7279 1 14 . 1 1 39 39 LYS H H 39 8.147 8.147 8.429 -0.282 25660 7280 1 14 . 1 1 40 40 THR N N 40 113.158 113.158 114.985 -1.827 25660 7281 1 14 . 1 1 40 40 THR HA H 40 4.463 4.463 4.693 -0.230 25660 7282 1 14 . 1 1 40 40 THR C C 40 175.638 175.638 173.740 1.898 25660 7283 1 14 . 1 1 40 40 THR CA C 40 61.920 61.920 60.287 1.633 25660 7284 1 14 . 1 1 40 40 THR CB C 40 68.539 68.539 71.305 -2.765 25660 7285 1 14 . 1 1 40 40 THR H H 40 7.804 7.804 8.299 -0.495 25660 7286 1 14 . 1 1 41 41 GLY N N 41 111.811 111.811 107.896 3.915 25660 7287 1 14 . 1 1 41 41 GLY C C 41 174.720 174.720 174.580 0.140 25660 7288 1 14 . 1 1 41 41 GLY CA C 41 46.409 46.409 45.435 0.974 25660 7289 1 14 . 1 1 41 41 GLY H H 41 9.040 9.040 8.776 0.264 25660 7290 1 14 . 1 1 42 42 GLN N N 42 117.180 117.180 116.429 0.751 25660 7291 1 14 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.408 -0.054 25660 7292 1 14 . 1 1 42 42 GLN C C 42 175.152 175.152 175.078 0.074 25660 7293 1 14 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.562 -0.946 25660 7294 1 14 . 1 1 42 42 GLN CB C 42 28.977 28.977 29.602 -0.625 25660 7295 1 14 . 1 1 42 42 GLN H H 42 8.084 8.084 8.544 -0.460 25660 7296 1 14 . 1 1 43 43 ALA N N 43 125.825 125.825 125.858 -0.033 25660 7297 1 14 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.821 -0.285 25660 7298 1 14 . 1 1 43 43 ALA C C 43 175.308 175.308 176.268 -0.960 25660 7299 1 14 . 1 1 43 43 ALA CA C 43 49.991 49.991 49.878 0.113 25660 7300 1 14 . 1 1 43 43 ALA CB C 43 18.488 18.488 19.020 -0.532 25660 7301 1 14 . 1 1 43 43 ALA H H 43 8.063 8.063 8.242 -0.179 25660 7302 1 14 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.261 0.095 25660 7303 1 14 . 1 1 44 44 PRO C C 44 178.294 178.294 177.423 0.871 25660 7304 1 14 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.864 -1.407 25660 7305 1 14 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.771 -0.257 25660 7306 1 14 . 1 1 45 45 GLY N N 45 112.024 112.024 104.182 7.842 25660 7307 1 14 . 1 1 45 45 GLY C C 45 173.301 173.301 172.824 0.477 25660 7308 1 14 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.376 -0.026 25660 7309 1 14 . 1 1 45 45 GLY H H 45 8.831 8.831 8.364 0.467 25660 7310 1 14 . 1 1 46 46 TYR N N 46 120.307 120.307 117.815 2.492 25660 7311 1 14 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.901 -0.709 25660 7312 1 14 . 1 1 46 46 TYR C C 46 174.910 174.910 174.484 0.426 25660 7313 1 14 . 1 1 46 46 TYR CA C 46 57.515 57.515 57.429 0.086 25660 7314 1 14 . 1 1 46 46 TYR CB C 46 39.539 39.539 41.579 -2.040 25660 7315 1 14 . 1 1 46 46 TYR H H 46 7.661 7.661 7.721 -0.060 25660 7316 1 14 . 1 1 50 50 ALA N N 50 125.381 125.381 129.085 -3.704 25660 7317 1 14 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.592 -0.426 25660 7318 1 14 . 1 1 50 50 ALA C C 50 178.430 178.430 178.355 0.075 25660 7319 1 14 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.239 0.574 25660 7320 1 14 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.234 -1.292 25660 7321 1 14 . 1 1 50 50 ALA H H 50 8.507 8.507 8.634 -0.127 25660 7322 1 14 . 1 1 51 51 ALA HA H 51 3.993 3.993 4.013 -0.020 25660 7323 1 14 . 1 1 51 51 ALA C C 51 178.634 178.634 179.581 -0.947 25660 7324 1 14 . 1 1 51 51 ALA CA C 51 53.932 53.932 55.059 -1.127 25660 7325 1 14 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.427 -0.178 25660 7326 1 14 . 1 1 52 52 ASN N N 52 117.178 117.178 113.555 3.623 25660 7327 1 14 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.569 -0.240 25660 7328 1 14 . 1 1 52 52 ASN C C 52 176.255 176.255 176.354 -0.099 25660 7329 1 14 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.395 0.374 25660 7330 1 14 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.392 0.862 25660 7331 1 14 . 1 1 52 52 ASN H H 52 8.286 8.286 8.106 0.180 25660 7332 1 14 . 1 1 53 53 LYS N N 53 120.164 120.164 120.122 0.042 25660 7333 1 14 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.380 -0.652 25660 7334 1 14 . 1 1 53 53 LYS C C 53 177.676 177.676 178.639 -0.963 25660 7335 1 14 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.138 0.264 25660 7336 1 14 . 1 1 53 53 LYS CB C 53 32.296 32.296 33.670 -1.374 25660 7337 1 14 . 1 1 53 53 LYS H H 53 8.152 8.152 7.853 0.299 25660 7338 1 14 . 1 1 54 54 ASN N N 54 116.286 116.286 119.753 -3.467 25660 7339 1 14 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.606 -0.217 25660 7340 1 14 . 1 1 54 54 ASN C C 54 175.501 175.501 176.250 -0.749 25660 7341 1 14 . 1 1 54 54 ASN CA C 54 53.488 53.488 55.824 -2.336 25660 7342 1 14 . 1 1 54 54 ASN CB C 54 38.101 38.101 39.295 -1.194 25660 7343 1 14 . 1 1 54 54 ASN H H 54 8.553 8.553 8.475 0.078 25660 7344 1 14 . 1 1 55 55 LYS N N 55 121.354 121.354 120.469 0.885 25660 7345 1 14 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.580 -0.548 25660 7346 1 14 . 1 1 55 55 LYS C C 55 177.422 177.422 175.493 1.929 25660 7347 1 14 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.025 1.793 25660 7348 1 14 . 1 1 55 55 LYS CB C 55 31.536 31.536 32.839 -1.303 25660 7349 1 14 . 1 1 55 55 LYS H H 55 7.634 7.634 7.755 -0.121 25660 7350 1 14 . 1 1 56 56 GLY CA C 56 46.052 46.052 44.172 1.880 25660 7351 1 14 . 1 1 57 57 ILE HA H 57 4.042 4.042 3.989 0.053 25660 7352 1 14 . 1 1 57 57 ILE C C 57 173.923 173.923 173.873 0.050 25660 7353 1 14 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.086 -0.465 25660 7354 1 14 . 1 1 57 57 ILE CB C 57 38.366 38.366 40.347 -1.982 25660 7355 1 14 . 1 1 58 58 ILE N N 58 121.053 121.053 128.761 -7.708 25660 7356 1 14 . 1 1 58 58 ILE HA H 58 4.082 4.082 4.011 0.071 25660 7357 1 14 . 1 1 58 58 ILE C C 58 177.495 177.495 175.500 1.995 25660 7358 1 14 . 1 1 58 58 ILE CA C 58 58.867 58.867 59.280 -0.413 25660 7359 1 14 . 1 1 58 58 ILE CB C 58 38.504 38.504 37.890 0.614 25660 7360 1 14 . 1 1 58 58 ILE H H 58 7.988 7.988 8.204 -0.216 25660 7361 1 14 . 1 1 59 59 TRP N N 59 130.896 130.896 130.189 0.707 25660 7362 1 14 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.371 0.458 25660 7363 1 14 . 1 1 59 59 TRP C C 59 175.793 175.793 175.441 0.352 25660 7364 1 14 . 1 1 59 59 TRP CA C 59 57.229 57.229 56.768 0.461 25660 7365 1 14 . 1 1 59 59 TRP CB C 59 29.908 29.908 29.419 0.489 25660 7366 1 14 . 1 1 59 59 TRP H H 59 8.931 8.931 7.816 1.115 25660 7367 1 14 . 1 1 60 60 GLY N N 60 111.218 111.218 109.474 1.744 25660 7368 1 14 . 1 1 60 60 GLY C C 60 171.636 171.636 173.497 -1.861 25660 7369 1 14 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.431 -1.217 25660 7370 1 14 . 1 1 60 60 GLY H H 60 7.839 7.839 8.292 -0.453 25660 7371 1 14 . 1 1 61 61 GLU N N 61 120.606 120.606 119.004 1.602 25660 7372 1 14 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.041 -0.183 25660 7373 1 14 . 1 1 61 61 GLU C C 61 177.011 177.011 178.608 -1.597 25660 7374 1 14 . 1 1 61 61 GLU CA C 61 62.088 62.088 60.554 1.534 25660 7375 1 14 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.858 -0.493 25660 7376 1 14 . 1 1 61 61 GLU H H 61 9.619 9.619 8.910 0.709 25660 7377 1 14 . 1 1 62 62 ASP N N 62 114.943 114.943 116.173 -1.230 25660 7378 1 14 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.717 -0.383 25660 7379 1 14 . 1 1 62 62 ASP C C 62 179.228 179.228 178.049 1.179 25660 7380 1 14 . 1 1 62 62 ASP CA C 62 57.208 57.208 56.546 0.662 25660 7381 1 14 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.690 -1.213 25660 7382 1 14 . 1 1 62 62 ASP H H 62 8.396 8.396 8.568 -0.172 25660 7383 1 14 . 1 1 63 63 THR N N 63 112.857 112.857 112.470 0.387 25660 7384 1 14 . 1 1 63 63 THR HA H 63 4.116 4.116 4.120 -0.004 25660 7385 1 14 . 1 1 63 63 THR C C 63 177.971 177.971 176.581 1.390 25660 7386 1 14 . 1 1 63 63 THR CA C 63 63.601 63.601 65.460 -1.859 25660 7387 1 14 . 1 1 63 63 THR CB C 63 68.918 68.918 68.963 -0.046 25660 7388 1 14 . 1 1 63 63 THR H H 63 8.246 8.246 7.406 0.840 25660 7389 1 14 . 1 1 64 64 LEU N N 64 121.355 121.355 122.462 -1.107 25660 7390 1 14 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.214 0.019 25660 7391 1 14 . 1 1 64 64 LEU C C 64 178.628 178.628 179.020 -0.392 25660 7392 1 14 . 1 1 64 64 LEU CA C 64 58.314 58.314 57.656 0.658 25660 7393 1 14 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.710 0.645 25660 7394 1 14 . 1 1 64 64 LEU H H 64 8.809 8.809 8.538 0.271 25660 7395 1 14 . 1 1 65 65 MET N N 65 118.519 118.519 119.496 -0.977 25660 7396 1 14 . 1 1 65 65 MET HA H 65 3.896 3.896 4.248 -0.352 25660 7397 1 14 . 1 1 65 65 MET C C 65 177.782 177.782 177.536 0.246 25660 7398 1 14 . 1 1 65 65 MET CA C 65 57.910 57.910 58.383 -0.473 25660 7399 1 14 . 1 1 65 65 MET CB C 65 31.019 31.019 32.445 -1.426 25660 7400 1 14 . 1 1 65 65 MET H H 65 7.934 7.934 7.871 0.063 25660 7401 1 14 . 1 1 66 66 GLU N N 66 117.027 117.027 119.867 -2.840 25660 7402 1 14 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.125 -0.167 25660 7403 1 14 . 1 1 66 66 GLU C C 66 178.928 178.928 178.997 -0.069 25660 7404 1 14 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.632 -0.529 25660 7405 1 14 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.334 0.342 25660 7406 1 14 . 1 1 66 66 GLU H H 66 6.795 6.795 8.075 -1.280 25660 7407 1 14 . 1 1 67 67 TYR N N 67 120.608 120.608 122.248 -1.640 25660 7408 1 14 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.313 -0.812 25660 7409 1 14 . 1 1 67 67 TYR C C 67 176.312 176.312 177.561 -1.249 25660 7410 1 14 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.729 -1.818 25660 7411 1 14 . 1 1 67 67 TYR CB C 67 40.118 40.118 39.038 1.080 25660 7412 1 14 . 1 1 67 67 TYR H H 67 8.170 8.170 8.067 0.103 25660 7413 1 14 . 1 1 68 68 LEU N N 68 109.278 109.278 117.881 -8.603 25660 7414 1 14 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.947 -0.961 25660 7415 1 14 . 1 1 68 68 LEU C C 68 176.652 176.652 178.646 -1.994 25660 7416 1 14 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.958 -1.747 25660 7417 1 14 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.404 -0.216 25660 7418 1 14 . 1 1 68 68 LEU H H 68 8.108 8.108 8.684 -0.576 25660 7419 1 14 . 1 1 69 69 GLU N N 69 119.118 119.118 120.230 -1.112 25660 7420 1 14 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.312 -0.452 25660 7421 1 14 . 1 1 69 69 GLU C C 69 176.033 176.033 176.225 -0.192 25660 7422 1 14 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.050 -0.523 25660 7423 1 14 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.582 -1.033 25660 7424 1 14 . 1 1 69 69 GLU H H 69 6.783 6.783 8.106 -1.323 25660 7425 1 14 . 1 1 70 70 ASN N N 70 105.553 105.553 111.480 -5.927 25660 7426 1 14 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.314 -1.183 25660 7427 1 14 . 1 1 70 70 ASN C C 70 172.247 172.247 173.056 -0.809 25660 7428 1 14 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.814 -0.449 25660 7429 1 14 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.043 -1.246 25660 7430 1 14 . 1 1 70 70 ASN H H 70 6.092 6.092 7.954 -1.862 25660 7431 1 14 . 1 1 71 71 PRO HA H 71 3.517 3.517 4.153 -0.636 25660 7432 1 14 . 1 1 71 71 PRO C C 71 176.414 176.414 177.818 -1.404 25660 7433 1 14 . 1 1 71 71 PRO CA C 71 65.672 65.672 64.877 0.795 25660 7434 1 14 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.410 -1.475 25660 7435 1 14 . 1 1 72 72 LYS N N 72 113.454 113.454 117.629 -4.175 25660 7436 1 14 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.299 -0.584 25660 7437 1 14 . 1 1 72 72 LYS C C 72 177.234 177.234 177.963 -0.729 25660 7438 1 14 . 1 1 72 72 LYS CA C 72 57.046 57.046 57.514 -0.468 25660 7439 1 14 . 1 1 72 72 LYS CB C 72 31.565 31.565 30.662 0.903 25660 7440 1 14 . 1 1 72 72 LYS H H 72 7.457 7.457 8.370 -0.913 25660 7441 1 14 . 1 1 73 73 LYS N N 73 118.522 118.522 118.047 0.475 25660 7442 1 14 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.178 -0.388 25660 7443 1 14 . 1 1 73 73 LYS C C 73 176.890 176.890 177.371 -0.481 25660 7444 1 14 . 1 1 73 73 LYS CA C 73 57.407 57.407 57.932 -0.525 25660 7445 1 14 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.602 0.297 25660 7446 1 14 . 1 1 73 73 LYS H H 73 6.855 6.855 8.003 -1.148 25660 7447 1 14 . 1 1 74 74 TYR N N 74 118.674 118.674 117.598 1.076 25660 7448 1 14 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.671 -0.440 25660 7449 1 14 . 1 1 74 74 TYR C C 74 175.794 175.794 175.139 0.655 25660 7450 1 14 . 1 1 74 74 TYR CA C 74 60.721 60.721 59.428 1.293 25660 7451 1 14 . 1 1 74 74 TYR CB C 74 39.536 39.536 42.506 -2.970 25660 7452 1 14 . 1 1 74 74 TYR H H 74 7.219 7.219 7.724 -0.505 25660 7453 1 14 . 1 1 75 75 ILE N N 75 114.346 114.346 119.266 -4.920 25660 7454 1 14 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.712 -0.645 25660 7455 1 14 . 1 1 75 75 ILE C C 75 179.773 179.773 174.057 5.716 25660 7456 1 14 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.653 -0.179 25660 7457 1 14 . 1 1 75 75 ILE CB C 75 37.615 37.615 39.423 -1.808 25660 7458 1 14 . 1 1 75 75 ILE H H 75 8.189 8.189 8.210 -0.021 25660 7459 1 14 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.409 0.068 25660 7460 1 14 . 1 1 76 76 PRO C C 76 178.583 178.583 178.242 0.341 25660 7461 1 14 . 1 1 76 76 PRO CA C 76 64.021 64.021 63.904 0.117 25660 7462 1 14 . 1 1 76 76 PRO CB C 76 31.137 31.137 32.275 -1.138 25660 7463 1 14 . 1 1 77 77 GLY N N 77 108.831 108.831 109.234 -0.403 25660 7464 1 14 . 1 1 77 77 GLY C C 77 174.866 174.866 172.987 1.879 25660 7465 1 14 . 1 1 77 77 GLY CA C 77 44.314 44.314 44.700 -0.386 25660 7466 1 14 . 1 1 77 77 GLY H H 77 8.563 8.563 8.541 0.022 25660 7467 1 14 . 1 1 78 78 THR N N 78 115.541 115.541 113.765 1.776 25660 7468 1 14 . 1 1 78 78 THR HA H 78 4.226 4.226 4.753 -0.527 25660 7469 1 14 . 1 1 78 78 THR C C 78 173.114 173.114 174.070 -0.956 25660 7470 1 14 . 1 1 78 78 THR CA C 78 61.759 61.759 59.566 2.193 25660 7471 1 14 . 1 1 78 78 THR CB C 78 67.910 67.910 70.641 -2.732 25660 7472 1 14 . 1 1 78 78 THR H H 78 7.922 7.922 7.724 0.198 25660 7473 1 14 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.441 -0.060 25660 7474 1 14 . 1 1 79 79 LYS C C 79 175.845 175.845 177.034 -1.189 25660 7475 1 14 . 1 1 79 79 LYS CA C 79 55.526 55.526 55.941 -0.414 25660 7476 1 14 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.443 -0.140 25660 7477 1 14 . 1 1 80 80 MET N N 80 123.515 123.515 122.270 1.245 25660 7478 1 14 . 1 1 80 80 MET HA H 80 2.934 2.934 4.425 -1.491 25660 7479 1 14 . 1 1 80 80 MET C C 80 171.833 171.833 174.730 -2.897 25660 7480 1 14 . 1 1 80 80 MET CA C 80 55.863 55.863 55.529 0.334 25660 7481 1 14 . 1 1 80 80 MET CB C 80 27.552 27.552 31.736 -4.184 25660 7482 1 14 . 1 1 80 80 MET H H 80 7.384 7.384 7.822 -0.438 25660 7483 1 14 . 1 1 81 81 ILE N N 81 130.146 130.146 127.121 3.025 25660 7484 1 14 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.176 -0.691 25660 7485 1 14 . 1 1 81 81 ILE C C 81 173.220 173.220 174.902 -1.682 25660 7486 1 14 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.342 -1.057 25660 7487 1 14 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.049 -0.437 25660 7488 1 14 . 1 1 81 81 ILE H H 81 7.856 7.856 8.051 -0.195 25660 7489 1 14 . 1 1 82 82 PHE N N 82 123.143 123.143 127.877 -4.734 25660 7490 1 14 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.712 -0.385 25660 7491 1 14 . 1 1 82 82 PHE C C 82 174.333 174.333 174.824 -0.491 25660 7492 1 14 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.634 -1.056 25660 7493 1 14 . 1 1 82 82 PHE CB C 82 40.644 40.644 41.813 -1.169 25660 7494 1 14 . 1 1 82 82 PHE H H 82 6.529 6.529 7.827 -1.298 25660 7495 1 14 . 1 1 83 83 VAL N N 83 125.079 125.079 126.409 -1.330 25660 7496 1 14 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.848 -0.562 25660 7497 1 14 . 1 1 83 83 VAL C C 83 174.444 174.444 175.659 -1.215 25660 7498 1 14 . 1 1 83 83 VAL CA C 83 64.273 64.273 63.150 1.123 25660 7499 1 14 . 1 1 83 83 VAL CB C 83 31.352 31.352 32.229 -0.877 25660 7500 1 14 . 1 1 83 83 VAL H H 83 7.739 7.739 8.089 -0.350 25660 7501 1 14 . 1 1 84 84 GLY C C 84 172.113 172.113 173.254 -1.141 25660 7502 1 14 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.359 -1.523 25660 7503 1 14 . 1 1 85 85 ILE N N 85 120.758 120.758 122.358 -1.600 25660 7504 1 14 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.478 -0.342 25660 7505 1 14 . 1 1 85 85 ILE C C 85 175.103 175.103 176.110 -1.007 25660 7506 1 14 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.350 -0.960 25660 7507 1 14 . 1 1 85 85 ILE CB C 85 39.528 39.528 37.636 1.892 25660 7508 1 14 . 1 1 85 85 ILE H H 85 8.327 8.327 8.701 -0.374 25660 7509 1 14 . 1 1 86 86 LYS N N 86 127.466 127.466 125.678 1.788 25660 7510 1 14 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.137 -0.165 25660 7511 1 14 . 1 1 86 86 LYS C C 86 178.442 178.442 177.023 1.419 25660 7512 1 14 . 1 1 86 86 LYS CA C 86 58.619 58.619 58.017 0.602 25660 7513 1 14 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.493 -0.150 25660 7514 1 14 . 1 1 86 86 LYS H H 86 8.518 8.518 8.506 0.012 25660 7515 1 14 . 1 1 87 87 LYS N N 87 120.309 120.309 120.964 -0.655 25660 7516 1 14 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.371 -0.124 25660 7517 1 14 . 1 1 87 87 LYS C C 87 177.569 177.569 177.318 0.251 25660 7518 1 14 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.725 1.140 25660 7519 1 14 . 1 1 87 87 LYS CB C 87 32.531 32.531 33.114 -0.584 25660 7520 1 14 . 1 1 87 87 LYS H H 87 8.368 8.368 8.076 0.292 25660 7521 1 14 . 1 1 88 88 LYS N N 88 129.999 129.999 126.163 3.836 25660 7522 1 14 . 1 1 88 88 LYS HA H 88 3.562 3.562 4.057 -0.495 25660 7523 1 14 . 1 1 88 88 LYS C C 88 177.664 177.664 178.647 -0.983 25660 7524 1 14 . 1 1 88 88 LYS CA C 88 60.314 60.314 60.019 0.295 25660 7525 1 14 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.757 -0.674 25660 7526 1 14 . 1 1 88 88 LYS H H 88 9.151 9.151 8.923 0.228 25660 7527 1 14 . 1 1 89 89 GLU N N 89 117.925 117.925 119.196 -1.271 25660 7528 1 14 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.058 -0.159 25660 7529 1 14 . 1 1 89 89 GLU C C 89 177.911 177.911 178.570 -0.659 25660 7530 1 14 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.972 -0.212 25660 7531 1 14 . 1 1 89 89 GLU CB C 89 28.814 28.814 29.227 -0.413 25660 7532 1 14 . 1 1 89 89 GLU H H 89 9.462 9.462 8.851 0.611 25660 7533 1 14 . 1 1 90 90 GLU N N 90 116.437 116.437 118.033 -1.596 25660 7534 1 14 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.044 0.154 25660 7535 1 14 . 1 1 90 90 GLU C C 90 178.730 178.730 179.270 -0.540 25660 7536 1 14 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.526 -1.249 25660 7537 1 14 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.376 0.614 25660 7538 1 14 . 1 1 90 90 GLU H H 90 6.347 6.347 8.596 -2.249 25660 7539 1 14 . 1 1 91 91 ARG N N 91 117.405 117.405 119.113 -1.708 25660 7540 1 14 . 1 1 91 91 ARG HA H 91 3.740 3.740 3.943 -0.203 25660 7541 1 14 . 1 1 91 91 ARG C C 91 177.430 177.430 178.578 -1.148 25660 7542 1 14 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.849 1.333 25660 7543 1 14 . 1 1 91 91 ARG CB C 91 31.106 31.106 30.142 0.964 25660 7544 1 14 . 1 1 91 91 ARG H H 91 7.423 7.423 7.751 -0.328 25660 7545 1 14 . 1 1 92 92 ALA N N 92 120.161 120.161 121.532 -1.371 25660 7546 1 14 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.059 -0.089 25660 7547 1 14 . 1 1 92 92 ALA C C 92 181.044 181.044 179.262 1.782 25660 7548 1 14 . 1 1 92 92 ALA CA C 92 55.281 55.281 55.137 0.144 25660 7549 1 14 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.485 -0.946 25660 7550 1 14 . 1 1 92 92 ALA H H 92 8.668 8.668 8.224 0.444 25660 7551 1 14 . 1 1 93 93 ASP N N 93 122.101 122.101 119.150 2.951 25660 7552 1 14 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.599 -0.391 25660 7553 1 14 . 1 1 93 93 ASP C C 93 177.634 177.634 178.449 -0.815 25660 7554 1 14 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.097 1.050 25660 7555 1 14 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.926 -1.374 25660 7556 1 14 . 1 1 93 93 ASP H H 93 8.153 8.153 7.696 0.457 25660 7557 1 14 . 1 1 94 94 LEU N N 94 121.208 121.208 122.896 -1.688 25660 7558 1 14 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.081 0.124 25660 7559 1 14 . 1 1 94 94 LEU C C 94 178.395 178.395 178.788 -0.393 25660 7560 1 14 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.077 0.218 25660 7561 1 14 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.198 -0.487 25660 7562 1 14 . 1 1 94 94 LEU H H 94 8.183 8.183 8.253 -0.070 25660 7563 1 14 . 1 1 95 95 ILE N N 95 120.159 120.159 117.635 2.524 25660 7564 1 14 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.663 -0.054 25660 7565 1 14 . 1 1 95 95 ILE C C 95 176.351 176.351 177.435 -1.084 25660 7566 1 14 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.305 0.917 25660 7567 1 14 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.650 0.018 25660 7568 1 14 . 1 1 95 95 ILE H H 95 8.974 8.974 8.406 0.568 25660 7569 1 14 . 1 1 96 96 ALA N N 96 123.001 123.001 122.370 0.631 25660 7570 1 14 . 1 1 96 96 ALA HA H 96 4.026 4.026 4.013 0.013 25660 7571 1 14 . 1 1 96 96 ALA C C 96 180.700 180.700 179.277 1.423 25660 7572 1 14 . 1 1 96 96 ALA CA C 96 54.933 54.933 54.813 0.120 25660 7573 1 14 . 1 1 96 96 ALA CB C 96 16.970 16.970 17.967 -0.997 25660 7574 1 14 . 1 1 96 96 ALA H H 96 7.974 7.974 7.426 0.548 25660 7575 1 14 . 1 1 97 97 TYR N N 97 118.224 118.224 120.417 -2.193 25660 7576 1 14 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.083 0.114 25660 7577 1 14 . 1 1 97 97 TYR C C 97 176.278 176.278 177.329 -1.051 25660 7578 1 14 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.452 2.004 25660 7579 1 14 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.114 -1.171 25660 7580 1 14 . 1 1 97 97 TYR H H 97 8.089 8.089 7.792 0.297 25660 7581 1 14 . 1 1 98 98 LEU N N 98 119.118 119.118 118.768 0.350 25660 7582 1 14 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.339 -0.005 25660 7583 1 14 . 1 1 98 98 LEU C C 98 179.188 179.188 178.947 0.241 25660 7584 1 14 . 1 1 98 98 LEU CA C 98 57.650 57.650 58.085 -0.435 25660 7585 1 14 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.346 0.299 25660 7586 1 14 . 1 1 98 98 LEU H H 98 8.982 8.982 8.397 0.585 25660 7587 1 14 . 1 1 99 99 LYS N N 99 123.889 123.889 119.721 4.168 25660 7588 1 14 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.212 -0.663 25660 7589 1 14 . 1 1 99 99 LYS C C 99 176.653 176.653 178.768 -2.115 25660 7590 1 14 . 1 1 99 99 LYS CA C 99 59.190 59.190 59.456 -0.266 25660 7591 1 14 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.688 0.181 25660 7592 1 14 . 1 1 99 99 LYS H H 99 8.945 8.945 7.648 1.297 25660 7593 1 14 . 1 1 100 100 LYS N N 100 116.726 116.726 117.860 -1.134 25660 7594 1 14 . 1 1 100 100 LYS HA H 100 3.976 3.976 3.967 0.009 25660 7595 1 14 . 1 1 100 100 LYS C C 100 178.363 178.363 177.586 0.777 25660 7596 1 14 . 1 1 100 100 LYS CA C 100 57.655 57.655 58.237 -0.582 25660 7597 1 14 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.269 0.906 25660 7598 1 14 . 1 1 100 100 LYS H H 100 6.724 6.724 7.668 -0.944 25660 7599 1 14 . 1 1 101 101 ALA N N 101 119.416 119.416 116.922 2.494 25660 7600 1 14 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.292 -0.497 25660 7601 1 14 . 1 1 101 101 ALA C C 101 179.576 179.576 177.889 1.687 25660 7602 1 14 . 1 1 101 101 ALA CA C 101 54.401 54.401 53.615 0.785 25660 7603 1 14 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.635 -1.282 25660 7604 1 14 . 1 1 101 101 ALA H H 101 8.539 8.539 7.688 0.851 25660 7605 1 14 . 1 1 102 102 THR N N 102 101.974 101.974 106.449 -4.475 25660 7606 1 14 . 1 1 102 102 THR HA H 102 4.157 4.157 3.685 0.472 25660 7607 1 14 . 1 1 102 102 THR C C 102 172.872 172.872 175.399 -2.527 25660 7608 1 14 . 1 1 102 102 THR CA C 102 61.954 61.954 62.097 -0.143 25660 7609 1 14 . 1 1 102 102 THR CB C 102 69.403 69.403 69.959 -0.556 25660 7610 1 14 . 1 1 102 102 THR H H 102 7.810 7.810 7.512 0.298 25660 7611 1 14 . 1 1 103 103 ASN N N 103 118.372 118.372 118.399 -0.027 25660 7612 1 14 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.685 0.082 25660 7613 1 14 . 1 1 103 103 ASN C C 103 173.663 173.663 175.302 -1.639 25660 7614 1 14 . 1 1 103 103 ASN CA C 103 52.469 52.469 52.732 -0.263 25660 7615 1 14 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.411 2.965 25660 7616 1 14 . 1 1 103 103 ASN H H 103 6.968 6.968 8.015 -1.047 25660 7617 1 15 . 1 1 2 2 ASP N N 2 124.691 124.691 121.155 3.536 25660 7618 1 15 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.912 -0.137 25660 7619 1 15 . 1 1 2 2 ASP C C 2 175.662 175.662 175.603 0.059 25660 7620 1 15 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.670 0.102 25660 7621 1 15 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.105 -0.792 25660 7622 1 15 . 1 1 2 2 ASP H H 2 9.541 9.541 8.691 0.850 25660 7623 1 15 . 1 1 3 3 VAL N N 3 123.739 123.739 118.748 4.991 25660 7624 1 15 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.977 -0.427 25660 7625 1 15 . 1 1 3 3 VAL C C 3 177.302 177.302 177.661 -0.359 25660 7626 1 15 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.362 0.584 25660 7627 1 15 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.070 -0.105 25660 7628 1 15 . 1 1 3 3 VAL H H 3 8.569 8.569 8.365 0.204 25660 7629 1 15 . 1 1 4 4 GLU N N 4 120.310 120.310 119.897 0.413 25660 7630 1 15 . 1 1 4 4 GLU HA H 4 4.008 4.008 3.905 0.103 25660 7631 1 15 . 1 1 4 4 GLU C C 4 180.515 180.515 178.997 1.518 25660 7632 1 15 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.484 -0.521 25660 7633 1 15 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.249 -0.770 25660 7634 1 15 . 1 1 4 4 GLU H H 4 8.083 8.083 8.086 -0.003 25660 7635 1 15 . 1 1 5 5 LYS N N 5 121.058 121.058 118.262 2.796 25660 7636 1 15 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.083 -0.184 25660 7637 1 15 . 1 1 5 5 LYS C C 5 180.515 180.515 179.207 1.308 25660 7638 1 15 . 1 1 5 5 LYS CA C 5 59.459 59.459 58.076 1.383 25660 7639 1 15 . 1 1 5 5 LYS CB C 5 32.454 32.454 31.906 0.548 25660 7640 1 15 . 1 1 5 5 LYS H H 5 8.096 8.096 7.574 0.522 25660 7641 1 15 . 1 1 6 6 GLY N N 6 107.193 107.193 106.848 0.345 25660 7642 1 15 . 1 1 6 6 GLY C C 6 174.012 174.012 175.856 -1.844 25660 7643 1 15 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.503 -0.024 25660 7644 1 15 . 1 1 6 6 GLY H H 6 8.709 8.709 8.187 0.522 25660 7645 1 15 . 1 1 7 7 LYS N N 7 124.124 124.124 121.149 2.975 25660 7646 1 15 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.175 -1.015 25660 7647 1 15 . 1 1 7 7 LYS C C 7 177.457 177.457 178.532 -1.075 25660 7648 1 15 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.707 -0.655 25660 7649 1 15 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.854 0.251 25660 7650 1 15 . 1 1 7 7 LYS H H 7 8.039 8.039 7.800 0.239 25660 7651 1 15 . 1 1 8 8 LYS N N 8 116.732 116.732 118.291 -1.559 25660 7652 1 15 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.064 -0.249 25660 7653 1 15 . 1 1 8 8 LYS C C 8 179.228 179.228 178.974 0.254 25660 7654 1 15 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.733 0.589 25660 7655 1 15 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.676 0.139 25660 7656 1 15 . 1 1 8 8 LYS H H 8 6.958 6.958 7.563 -0.605 25660 7657 1 15 . 1 1 9 9 ILE N N 9 119.269 119.269 119.614 -0.345 25660 7658 1 15 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.897 -0.178 25660 7659 1 15 . 1 1 9 9 ILE C C 9 177.006 177.006 177.979 -0.973 25660 7660 1 15 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.860 2.245 25660 7661 1 15 . 1 1 9 9 ILE CB C 9 37.562 37.562 36.884 0.678 25660 7662 1 15 . 1 1 9 9 ILE H H 9 7.681 7.681 7.371 0.310 25660 7663 1 15 . 1 1 10 10 PHE N N 10 120.908 120.908 121.556 -0.648 25660 7664 1 15 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.339 -0.366 25660 7665 1 15 . 1 1 10 10 PHE C C 10 178.820 178.820 178.521 0.299 25660 7666 1 15 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.742 0.422 25660 7667 1 15 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.310 0.067 25660 7668 1 15 . 1 1 10 10 PHE H H 10 8.635 8.635 7.826 0.809 25660 7669 1 15 . 1 1 11 11 ILE N N 11 121.053 121.053 120.457 0.596 25660 7670 1 15 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.723 -0.407 25660 7671 1 15 . 1 1 11 11 ILE C C 11 178.867 178.867 177.497 1.370 25660 7672 1 15 . 1 1 11 11 ILE CA C 11 65.622 65.622 65.272 0.350 25660 7673 1 15 . 1 1 11 11 ILE CB C 11 37.617 37.617 38.145 -0.528 25660 7674 1 15 . 1 1 11 11 ILE H H 11 8.834 8.834 8.537 0.297 25660 7675 1 15 . 1 1 12 12 MET N N 12 117.328 117.328 117.049 0.279 25660 7676 1 15 . 1 1 12 12 MET HA H 12 4.219 4.219 4.263 -0.044 25660 7677 1 15 . 1 1 12 12 MET C C 12 177.972 177.972 177.625 0.347 25660 7678 1 15 . 1 1 12 12 MET CA C 12 58.560 58.560 58.010 0.550 25660 7679 1 15 . 1 1 12 12 MET CB C 12 33.675 33.675 33.447 0.229 25660 7680 1 15 . 1 1 12 12 MET H H 12 8.047 8.047 7.722 0.325 25660 7681 1 15 . 1 1 13 13 LYS N N 13 113.452 113.452 115.779 -2.327 25660 7682 1 15 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.565 0.370 25660 7683 1 15 . 1 1 13 13 LYS C C 13 177.353 177.353 176.871 0.482 25660 7684 1 15 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.324 -0.064 25660 7685 1 15 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.239 0.960 25660 7686 1 15 . 1 1 13 13 LYS H H 13 9.016 9.016 8.385 0.631 25660 7687 1 15 . 1 1 14 14 CYS N N 14 115.390 115.390 116.955 -1.565 25660 7688 1 15 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.593 0.703 25660 7689 1 15 . 1 1 14 14 CYS C C 14 177.723 177.723 176.127 1.596 25660 7690 1 15 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.663 -5.543 25660 7691 1 15 . 1 1 14 14 CYS CB C 14 36.784 36.784 29.197 7.587 25660 7692 1 15 . 1 1 14 14 CYS H H 14 8.130 8.130 7.880 0.250 25660 7693 1 15 . 1 1 15 15 SER N N 15 114.347 114.347 118.333 -3.986 25660 7694 1 15 . 1 1 15 15 SER HA H 15 3.768 3.768 4.148 -0.380 25660 7695 1 15 . 1 1 15 15 SER C C 15 174.272 174.272 176.217 -1.945 25660 7696 1 15 . 1 1 15 15 SER CA C 15 60.587 60.587 61.564 -0.977 25660 7697 1 15 . 1 1 15 15 SER CB C 15 62.483 62.483 62.911 -0.428 25660 7698 1 15 . 1 1 15 15 SER H H 15 7.297 7.297 8.214 -0.917 25660 7699 1 15 . 1 1 16 16 GLN N N 16 120.608 120.608 119.688 0.920 25660 7700 1 15 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.083 -0.174 25660 7701 1 15 . 1 1 16 16 GLN C C 16 176.559 176.559 177.061 -0.502 25660 7702 1 15 . 1 1 16 16 GLN CA C 16 57.938 57.938 58.449 -0.511 25660 7703 1 15 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.243 -0.343 25660 7704 1 15 . 1 1 16 16 GLN H H 16 8.879 8.879 8.664 0.215 25660 7705 1 15 . 1 1 17 17 CYS N N 17 112.857 112.857 113.873 -1.016 25660 7706 1 15 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.566 -0.482 25660 7707 1 15 . 1 1 17 17 CYS C C 17 171.419 171.419 173.557 -2.138 25660 7708 1 15 . 1 1 17 17 CYS CA C 17 53.967 53.967 58.880 -4.913 25660 7709 1 15 . 1 1 17 17 CYS CB C 17 38.172 38.172 29.521 8.651 25660 7710 1 15 . 1 1 17 17 CYS H H 17 6.805 6.805 7.898 -1.093 25660 7711 1 15 . 1 1 18 18 HIS N N 18 113.603 113.603 118.439 -4.836 25660 7712 1 15 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.708 -2.086 25660 7713 1 15 . 1 1 18 18 HIS CA C 18 53.514 53.514 54.765 -1.251 25660 7714 1 15 . 1 1 18 18 HIS CB C 18 31.916 31.916 33.962 -2.046 25660 7715 1 15 . 1 1 18 18 HIS H H 18 6.223 6.223 8.182 -1.959 25660 7716 1 15 . 1 1 19 19 THR N N 19 109.280 109.280 112.457 -3.177 25660 7717 1 15 . 1 1 19 19 THR HA H 19 4.413 4.413 5.074 -0.661 25660 7718 1 15 . 1 1 19 19 THR C C 19 174.026 174.026 174.173 -0.147 25660 7719 1 15 . 1 1 19 19 THR CA C 19 58.557 58.557 61.155 -2.598 25660 7720 1 15 . 1 1 19 19 THR CB C 19 71.176 71.176 71.103 0.073 25660 7721 1 15 . 1 1 19 19 THR H H 19 7.636 7.636 8.424 -0.788 25660 7722 1 15 . 1 1 20 20 VAL N N 20 110.620 110.620 118.936 -8.316 25660 7723 1 15 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.496 -0.731 25660 7724 1 15 . 1 1 20 20 VAL C C 20 173.470 173.470 175.266 -1.796 25660 7725 1 15 . 1 1 20 20 VAL CA C 20 60.794 60.794 61.596 -0.802 25660 7726 1 15 . 1 1 20 20 VAL CB C 20 33.427 33.427 31.727 1.700 25660 7727 1 15 . 1 1 20 20 VAL H H 20 7.675 7.675 8.592 -0.917 25660 7728 1 15 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.379 -0.245 25660 7729 1 15 . 1 1 21 21 GLU C C 21 177.538 177.538 176.079 1.459 25660 7730 1 15 . 1 1 21 21 GLU CA C 21 56.452 56.452 54.954 1.498 25660 7731 1 15 . 1 1 21 21 GLU CB C 21 29.646 29.646 31.352 -1.706 25660 7732 1 15 . 1 1 22 22 LYS N N 22 126.123 126.123 125.387 0.736 25660 7733 1 15 . 1 1 22 22 LYS HA H 22 3.052 3.052 4.015 -0.963 25660 7734 1 15 . 1 1 22 22 LYS C C 22 177.538 177.538 177.173 0.365 25660 7735 1 15 . 1 1 22 22 LYS CA C 22 57.749 57.749 58.133 -0.384 25660 7736 1 15 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.048 -1.107 25660 7737 1 15 . 1 1 22 22 LYS H H 22 8.717 8.717 8.737 -0.020 25660 7738 1 15 . 1 1 23 23 GLY N N 23 117.177 117.177 113.515 3.662 25660 7739 1 15 . 1 1 23 23 GLY C C 23 174.531 174.531 174.324 0.207 25660 7740 1 15 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.584 0.322 25660 7741 1 15 . 1 1 23 23 GLY H H 23 9.078 9.078 8.502 0.576 25660 7742 1 15 . 1 1 24 24 GLY N N 24 107.042 107.042 109.823 -2.781 25660 7743 1 15 . 1 1 24 24 GLY C C 24 172.234 172.234 174.495 -2.261 25660 7744 1 15 . 1 1 24 24 GLY CA C 24 44.146 44.146 45.327 -1.181 25660 7745 1 15 . 1 1 24 24 GLY H H 24 7.730 7.730 8.131 -0.401 25660 7746 1 15 . 1 1 25 25 LYS N N 25 118.452 118.452 119.895 -1.443 25660 7747 1 15 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.214 -0.381 25660 7748 1 15 . 1 1 25 25 LYS C C 25 178.209 178.209 176.555 1.654 25660 7749 1 15 . 1 1 25 25 LYS CA C 25 55.712 55.712 55.745 -0.033 25660 7750 1 15 . 1 1 25 25 LYS CB C 25 32.861 32.861 32.574 0.287 25660 7751 1 15 . 1 1 25 25 LYS H H 25 8.222 8.222 7.932 0.290 25660 7752 1 15 . 1 1 26 26 HIS N N 26 122.465 122.465 119.543 2.922 25660 7753 1 15 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.611 -0.419 25660 7754 1 15 . 1 1 26 26 HIS C C 26 175.081 175.081 175.034 0.047 25660 7755 1 15 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.168 0.645 25660 7756 1 15 . 1 1 26 26 HIS CB C 26 30.173 30.173 30.869 -0.696 25660 7757 1 15 . 1 1 26 26 HIS H H 26 8.545 8.545 8.215 0.330 25660 7758 1 15 . 1 1 27 27 LYS N N 27 126.571 126.571 118.669 7.902 25660 7759 1 15 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.616 -0.246 25660 7760 1 15 . 1 1 27 27 LYS C C 27 175.781 175.781 176.863 -1.082 25660 7761 1 15 . 1 1 27 27 LYS CA C 27 55.066 55.066 55.315 -0.249 25660 7762 1 15 . 1 1 27 27 LYS CB C 27 30.731 30.731 32.968 -2.237 25660 7763 1 15 . 1 1 27 27 LYS H H 27 7.439 7.439 8.461 -1.022 25660 7764 1 15 . 1 1 28 28 THR HA H 28 4.017 4.017 4.175 -0.158 25660 7765 1 15 . 1 1 28 28 THR C C 28 174.931 174.931 175.269 -0.338 25660 7766 1 15 . 1 1 28 28 THR CA C 28 67.083 67.083 64.814 2.269 25660 7767 1 15 . 1 1 28 28 THR CB C 28 69.766 69.766 69.202 0.564 25660 7768 1 15 . 1 1 29 29 GLY N N 29 106.150 106.150 108.600 -2.450 25660 7769 1 15 . 1 1 29 29 GLY C C 29 169.328 169.328 171.761 -2.433 25660 7770 1 15 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.942 -2.060 25660 7771 1 15 . 1 1 29 29 GLY H H 29 7.548 7.548 7.638 -0.090 25660 7772 1 15 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.508 -0.918 25660 7773 1 15 . 1 1 30 30 PRO CA C 30 60.269 60.269 63.147 -2.878 25660 7774 1 15 . 1 1 30 30 PRO CB C 30 31.020 31.020 32.961 -1.941 25660 7775 1 15 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.763 -0.740 25660 7776 1 15 . 1 1 31 31 ASN C C 31 176.303 176.303 176.713 -0.410 25660 7777 1 15 . 1 1 31 31 ASN CA C 31 54.344 54.344 55.426 -1.083 25660 7778 1 15 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.722 1.063 25660 7779 1 15 . 1 1 31 31 ASN H H 31 10.198 10.198 8.836 1.362 25660 7780 1 15 . 1 1 32 32 LEU N N 32 121.653 121.653 113.703 7.950 25660 7781 1 15 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.906 -0.039 25660 7782 1 15 . 1 1 32 32 LEU C C 32 174.533 174.533 174.860 -0.327 25660 7783 1 15 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.809 -2.522 25660 7784 1 15 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.205 1.315 25660 7785 1 15 . 1 1 32 32 LEU H H 32 7.889 7.889 8.260 -0.371 25660 7786 1 15 . 1 1 33 33 HIS N N 33 119.860 119.860 119.232 0.628 25660 7787 1 15 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.308 -0.601 25660 7788 1 15 . 1 1 33 33 HIS C C 33 176.992 176.992 175.066 1.926 25660 7789 1 15 . 1 1 33 33 HIS CA C 33 60.491 60.491 57.115 3.376 25660 7790 1 15 . 1 1 33 33 HIS CB C 33 28.223 28.223 28.797 -0.575 25660 7791 1 15 . 1 1 33 33 HIS H H 33 7.445 7.445 8.328 -0.883 25660 7792 1 15 . 1 1 34 34 GLY N N 34 114.645 114.645 114.271 0.374 25660 7793 1 15 . 1 1 34 34 GLY C C 34 174.473 174.473 173.513 0.960 25660 7794 1 15 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.065 0.648 25660 7795 1 15 . 1 1 34 34 GLY H H 34 8.763 8.763 8.189 0.574 25660 7796 1 15 . 1 1 35 35 LEU N N 35 117.774 117.774 121.756 -3.982 25660 7797 1 15 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.307 -0.780 25660 7798 1 15 . 1 1 35 35 LEU C C 35 176.507 176.507 175.807 0.700 25660 7799 1 15 . 1 1 35 35 LEU CA C 35 57.459 57.459 56.101 1.358 25660 7800 1 15 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.506 1.302 25660 7801 1 15 . 1 1 35 35 LEU H H 35 7.010 7.010 8.053 -1.043 25660 7802 1 15 . 1 1 36 36 PHE N N 36 113.600 113.600 118.003 -4.403 25660 7803 1 15 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.759 -0.911 25660 7804 1 15 . 1 1 36 36 PHE C C 36 176.553 176.553 176.308 0.245 25660 7805 1 15 . 1 1 36 36 PHE CA C 36 59.702 59.702 58.633 1.069 25660 7806 1 15 . 1 1 36 36 PHE CB C 36 36.223 36.223 37.595 -1.372 25660 7807 1 15 . 1 1 36 36 PHE H H 36 8.694 8.694 8.097 0.597 25660 7808 1 15 . 1 1 37 37 GLY N N 37 112.857 112.857 112.173 0.684 25660 7809 1 15 . 1 1 37 37 GLY C C 37 173.382 173.382 173.450 -0.068 25660 7810 1 15 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.599 -0.144 25660 7811 1 15 . 1 1 37 37 GLY H H 37 8.839 8.839 8.200 0.639 25660 7812 1 15 . 1 1 38 38 ARG N N 38 124.035 124.035 119.679 4.356 25660 7813 1 15 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.728 -0.279 25660 7814 1 15 . 1 1 38 38 ARG C C 38 174.415 174.415 175.545 -1.130 25660 7815 1 15 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.628 1.136 25660 7816 1 15 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.052 0.359 25660 7817 1 15 . 1 1 38 38 ARG H H 38 8.215 8.215 7.762 0.453 25660 7818 1 15 . 1 1 39 39 LYS N N 39 123.290 123.290 122.390 0.900 25660 7819 1 15 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.100 0.747 25660 7820 1 15 . 1 1 39 39 LYS C C 39 172.219 172.219 176.240 -4.021 25660 7821 1 15 . 1 1 39 39 LYS CA C 39 55.199 55.199 56.647 -1.448 25660 7822 1 15 . 1 1 39 39 LYS CB C 39 33.682 33.682 32.877 0.805 25660 7823 1 15 . 1 1 39 39 LYS H H 39 8.147 8.147 8.428 -0.281 25660 7824 1 15 . 1 1 40 40 THR N N 40 113.158 113.158 114.777 -1.619 25660 7825 1 15 . 1 1 40 40 THR HA H 40 4.463 4.463 4.506 -0.043 25660 7826 1 15 . 1 1 40 40 THR C C 40 175.638 175.638 174.949 0.689 25660 7827 1 15 . 1 1 40 40 THR CA C 40 61.920 61.920 61.997 -0.077 25660 7828 1 15 . 1 1 40 40 THR CB C 40 68.539 68.539 69.881 -1.342 25660 7829 1 15 . 1 1 40 40 THR H H 40 7.804 7.804 8.146 -0.342 25660 7830 1 15 . 1 1 41 41 GLY N N 41 111.811 111.811 113.780 -1.969 25660 7831 1 15 . 1 1 41 41 GLY C C 41 174.720 174.720 173.768 0.952 25660 7832 1 15 . 1 1 41 41 GLY CA C 41 46.409 46.409 45.227 1.181 25660 7833 1 15 . 1 1 41 41 GLY H H 41 9.040 9.040 8.714 0.326 25660 7834 1 15 . 1 1 42 42 GLN N N 42 117.180 117.180 121.241 -4.061 25660 7835 1 15 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.549 -0.195 25660 7836 1 15 . 1 1 42 42 GLN C C 42 175.152 175.152 174.452 0.700 25660 7837 1 15 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.762 -1.147 25660 7838 1 15 . 1 1 42 42 GLN CB C 42 28.977 28.977 29.414 -0.437 25660 7839 1 15 . 1 1 42 42 GLN H H 42 8.084 8.084 8.100 -0.016 25660 7840 1 15 . 1 1 43 43 ALA N N 43 125.825 125.825 127.410 -1.585 25660 7841 1 15 . 1 1 43 43 ALA HA H 43 4.536 4.536 5.000 -0.464 25660 7842 1 15 . 1 1 43 43 ALA C C 43 175.308 175.308 174.810 0.498 25660 7843 1 15 . 1 1 43 43 ALA CA C 43 49.991 49.991 48.999 0.992 25660 7844 1 15 . 1 1 43 43 ALA CB C 43 18.488 18.488 19.832 -1.344 25660 7845 1 15 . 1 1 43 43 ALA H H 43 8.063 8.063 8.445 -0.382 25660 7846 1 15 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.392 -0.036 25660 7847 1 15 . 1 1 44 44 PRO C C 44 178.294 178.294 177.459 0.835 25660 7848 1 15 . 1 1 44 44 PRO CA C 44 63.456 63.456 63.899 -0.443 25660 7849 1 15 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.867 -0.353 25660 7850 1 15 . 1 1 45 45 GLY N N 45 112.024 112.024 110.492 1.532 25660 7851 1 15 . 1 1 45 45 GLY C C 45 173.301 173.301 174.118 -0.817 25660 7852 1 15 . 1 1 45 45 GLY CA C 45 45.350 45.350 46.140 -0.790 25660 7853 1 15 . 1 1 45 45 GLY H H 45 8.831 8.831 8.866 -0.035 25660 7854 1 15 . 1 1 46 46 TYR N N 46 120.307 120.307 119.386 0.921 25660 7855 1 15 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.867 -0.675 25660 7856 1 15 . 1 1 46 46 TYR C C 46 174.910 174.910 176.689 -1.779 25660 7857 1 15 . 1 1 46 46 TYR CA C 46 57.515 57.515 55.269 2.246 25660 7858 1 15 . 1 1 46 46 TYR CB C 46 39.539 39.539 39.949 -0.409 25660 7859 1 15 . 1 1 46 46 TYR H H 46 7.661 7.661 7.810 -0.149 25660 7860 1 15 . 1 1 50 50 ALA N N 50 125.381 125.381 125.598 -0.217 25660 7861 1 15 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.254 -0.088 25660 7862 1 15 . 1 1 50 50 ALA C C 50 178.430 178.430 179.083 -0.653 25660 7863 1 15 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.804 0.009 25660 7864 1 15 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.146 -1.204 25660 7865 1 15 . 1 1 50 50 ALA H H 50 8.507 8.507 8.392 0.115 25660 7866 1 15 . 1 1 51 51 ALA HA H 51 3.993 3.993 4.053 -0.060 25660 7867 1 15 . 1 1 51 51 ALA C C 51 178.634 178.634 179.739 -1.105 25660 7868 1 15 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.897 -0.965 25660 7869 1 15 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.294 -0.045 25660 7870 1 15 . 1 1 52 52 ASN N N 52 117.178 117.178 116.341 0.837 25660 7871 1 15 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.535 -0.206 25660 7872 1 15 . 1 1 52 52 ASN C C 52 176.255 176.255 177.501 -1.246 25660 7873 1 15 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.873 -0.104 25660 7874 1 15 . 1 1 52 52 ASN CB C 52 39.253 39.253 37.797 1.456 25660 7875 1 15 . 1 1 52 52 ASN H H 52 8.286 8.286 8.281 0.005 25660 7876 1 15 . 1 1 53 53 LYS N N 53 120.164 120.164 118.292 1.872 25660 7877 1 15 . 1 1 53 53 LYS HA H 53 3.728 3.728 3.941 -0.213 25660 7878 1 15 . 1 1 53 53 LYS C C 53 177.676 177.676 177.216 0.460 25660 7879 1 15 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.694 -0.292 25660 7880 1 15 . 1 1 53 53 LYS CB C 53 32.296 32.296 32.090 0.206 25660 7881 1 15 . 1 1 53 53 LYS H H 53 8.152 8.152 7.659 0.493 25660 7882 1 15 . 1 1 54 54 ASN N N 54 116.286 116.286 115.032 1.254 25660 7883 1 15 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.661 -0.272 25660 7884 1 15 . 1 1 54 54 ASN C C 54 175.501 175.501 175.738 -0.237 25660 7885 1 15 . 1 1 54 54 ASN CA C 54 53.488 53.488 54.718 -1.230 25660 7886 1 15 . 1 1 54 54 ASN CB C 54 38.101 38.101 38.973 -0.872 25660 7887 1 15 . 1 1 54 54 ASN H H 54 8.553 8.553 7.923 0.630 25660 7888 1 15 . 1 1 55 55 LYS N N 55 121.354 121.354 119.283 2.071 25660 7889 1 15 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.447 -0.415 25660 7890 1 15 . 1 1 55 55 LYS C C 55 177.422 177.422 176.637 0.785 25660 7891 1 15 . 1 1 55 55 LYS CA C 55 56.818 56.818 54.887 1.931 25660 7892 1 15 . 1 1 55 55 LYS CB C 55 31.536 31.536 33.929 -2.393 25660 7893 1 15 . 1 1 55 55 LYS H H 55 7.634 7.634 7.309 0.325 25660 7894 1 15 . 1 1 56 56 GLY CA C 56 46.052 46.052 44.417 1.635 25660 7895 1 15 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.287 -0.245 25660 7896 1 15 . 1 1 57 57 ILE C C 57 173.923 173.923 175.103 -1.180 25660 7897 1 15 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.433 -0.812 25660 7898 1 15 . 1 1 57 57 ILE CB C 57 38.366 38.366 41.643 -3.277 25660 7899 1 15 . 1 1 58 58 ILE N N 58 121.053 121.053 124.936 -3.883 25660 7900 1 15 . 1 1 58 58 ILE HA H 58 4.082 4.082 3.605 0.477 25660 7901 1 15 . 1 1 58 58 ILE C C 58 177.495 177.495 176.637 0.858 25660 7902 1 15 . 1 1 58 58 ILE CA C 58 58.867 58.867 61.166 -2.299 25660 7903 1 15 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.494 0.010 25660 7904 1 15 . 1 1 58 58 ILE H H 58 7.988 7.988 8.113 -0.125 25660 7905 1 15 . 1 1 59 59 TRP N N 59 130.896 130.896 128.749 2.147 25660 7906 1 15 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.331 0.498 25660 7907 1 15 . 1 1 59 59 TRP C C 59 175.793 175.793 176.102 -0.309 25660 7908 1 15 . 1 1 59 59 TRP CA C 59 57.229 57.229 57.129 0.100 25660 7909 1 15 . 1 1 59 59 TRP CB C 59 29.908 29.908 28.974 0.934 25660 7910 1 15 . 1 1 59 59 TRP H H 59 8.931 8.931 8.395 0.536 25660 7911 1 15 . 1 1 60 60 GLY N N 60 111.218 111.218 110.825 0.393 25660 7912 1 15 . 1 1 60 60 GLY C C 60 171.636 171.636 173.469 -1.833 25660 7913 1 15 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.541 -1.327 25660 7914 1 15 . 1 1 60 60 GLY H H 60 7.839 7.839 8.402 -0.563 25660 7915 1 15 . 1 1 61 61 GLU N N 61 120.606 120.606 119.200 1.406 25660 7916 1 15 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.043 -0.185 25660 7917 1 15 . 1 1 61 61 GLU C C 61 177.011 177.011 177.634 -0.623 25660 7918 1 15 . 1 1 61 61 GLU CA C 61 62.088 62.088 60.215 1.873 25660 7919 1 15 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.926 -0.562 25660 7920 1 15 . 1 1 61 61 GLU H H 61 9.619 9.619 8.808 0.811 25660 7921 1 15 . 1 1 62 62 ASP N N 62 114.943 114.943 114.678 0.265 25660 7922 1 15 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.701 -0.367 25660 7923 1 15 . 1 1 62 62 ASP C C 62 179.228 179.228 176.350 2.878 25660 7924 1 15 . 1 1 62 62 ASP CA C 62 57.208 57.208 54.561 2.647 25660 7925 1 15 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.371 -0.894 25660 7926 1 15 . 1 1 62 62 ASP H H 62 8.396 8.396 8.705 -0.309 25660 7927 1 15 . 1 1 63 63 THR N N 63 112.857 112.857 108.175 4.682 25660 7928 1 15 . 1 1 63 63 THR HA H 63 4.116 4.116 4.622 -0.506 25660 7929 1 15 . 1 1 63 63 THR C C 63 177.971 177.971 175.592 2.379 25660 7930 1 15 . 1 1 63 63 THR CA C 63 63.601 63.601 62.669 0.932 25660 7931 1 15 . 1 1 63 63 THR CB C 63 68.918 68.918 70.962 -2.044 25660 7932 1 15 . 1 1 63 63 THR H H 63 8.246 8.246 7.390 0.856 25660 7933 1 15 . 1 1 64 64 LEU N N 64 121.355 121.355 123.833 -2.478 25660 7934 1 15 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.148 0.085 25660 7935 1 15 . 1 1 64 64 LEU C C 64 178.628 178.628 178.717 -0.089 25660 7936 1 15 . 1 1 64 64 LEU CA C 64 58.314 58.314 58.365 -0.051 25660 7937 1 15 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.973 0.382 25660 7938 1 15 . 1 1 64 64 LEU H H 64 8.809 8.809 8.334 0.475 25660 7939 1 15 . 1 1 65 65 MET N N 65 118.519 118.519 118.249 0.270 25660 7940 1 15 . 1 1 65 65 MET HA H 65 3.896 3.896 4.059 -0.163 25660 7941 1 15 . 1 1 65 65 MET C C 65 177.782 177.782 177.768 0.014 25660 7942 1 15 . 1 1 65 65 MET CA C 65 57.910 57.910 59.709 -1.799 25660 7943 1 15 . 1 1 65 65 MET CB C 65 31.019 31.019 32.748 -1.729 25660 7944 1 15 . 1 1 65 65 MET H H 65 7.934 7.934 8.369 -0.435 25660 7945 1 15 . 1 1 66 66 GLU N N 66 117.027 117.027 117.439 -0.412 25660 7946 1 15 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.196 -0.238 25660 7947 1 15 . 1 1 66 66 GLU C C 66 178.928 178.928 178.517 0.411 25660 7948 1 15 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.276 -0.173 25660 7949 1 15 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.072 0.604 25660 7950 1 15 . 1 1 66 66 GLU H H 66 6.795 6.795 8.290 -1.495 25660 7951 1 15 . 1 1 67 67 TYR N N 67 120.608 120.608 122.126 -1.518 25660 7952 1 15 . 1 1 67 67 TYR HA H 67 3.501 3.501 3.458 0.043 25660 7953 1 15 . 1 1 67 67 TYR C C 67 176.312 176.312 176.977 -0.665 25660 7954 1 15 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.127 -1.216 25660 7955 1 15 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.682 1.436 25660 7956 1 15 . 1 1 67 67 TYR H H 67 8.170 8.170 7.613 0.557 25660 7957 1 15 . 1 1 68 68 LEU N N 68 109.278 109.278 117.292 -8.014 25660 7958 1 15 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.771 -0.785 25660 7959 1 15 . 1 1 68 68 LEU C C 68 176.652 176.652 178.607 -1.955 25660 7960 1 15 . 1 1 68 68 LEU CA C 68 55.211 55.211 57.029 -1.818 25660 7961 1 15 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.375 -0.187 25660 7962 1 15 . 1 1 68 68 LEU H H 68 8.108 8.108 8.637 -0.529 25660 7963 1 15 . 1 1 69 69 GLU N N 69 119.118 119.118 120.558 -1.440 25660 7964 1 15 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.033 -0.173 25660 7965 1 15 . 1 1 69 69 GLU C C 69 176.033 176.033 176.103 -0.070 25660 7966 1 15 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.332 -0.806 25660 7967 1 15 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.259 -0.710 25660 7968 1 15 . 1 1 69 69 GLU H H 69 6.783 6.783 7.996 -1.213 25660 7969 1 15 . 1 1 70 70 ASN N N 70 105.553 105.553 111.726 -6.173 25660 7970 1 15 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.588 -1.457 25660 7971 1 15 . 1 1 70 70 ASN C C 70 172.247 172.247 173.064 -0.817 25660 7972 1 15 . 1 1 70 70 ASN CA C 70 51.365 51.365 50.642 0.723 25660 7973 1 15 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.880 -2.083 25660 7974 1 15 . 1 1 70 70 ASN H H 70 6.092 6.092 7.702 -1.610 25660 7975 1 15 . 1 1 71 71 PRO HA H 71 3.517 3.517 3.773 -0.256 25660 7976 1 15 . 1 1 71 71 PRO C C 71 176.414 176.414 178.121 -1.707 25660 7977 1 15 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.530 0.142 25660 7978 1 15 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.699 -1.764 25660 7979 1 15 . 1 1 72 72 LYS N N 72 113.454 113.454 115.470 -2.016 25660 7980 1 15 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.277 -0.562 25660 7981 1 15 . 1 1 72 72 LYS C C 72 177.234 177.234 178.195 -0.961 25660 7982 1 15 . 1 1 72 72 LYS CA C 72 57.046 57.046 58.810 -1.764 25660 7983 1 15 . 1 1 72 72 LYS CB C 72 31.565 31.565 31.443 0.122 25660 7984 1 15 . 1 1 72 72 LYS H H 72 7.457 7.457 7.758 -0.301 25660 7985 1 15 . 1 1 73 73 LYS N N 73 118.522 118.522 119.262 -0.740 25660 7986 1 15 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.165 -0.375 25660 7987 1 15 . 1 1 73 73 LYS C C 73 176.890 176.890 178.911 -2.021 25660 7988 1 15 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.624 -1.217 25660 7989 1 15 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.714 0.185 25660 7990 1 15 . 1 1 73 73 LYS H H 73 6.855 6.855 7.504 -0.649 25660 7991 1 15 . 1 1 74 74 TYR N N 74 118.674 118.674 119.219 -0.545 25660 7992 1 15 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.304 -0.073 25660 7993 1 15 . 1 1 74 74 TYR C C 74 175.794 175.794 175.791 0.003 25660 7994 1 15 . 1 1 74 74 TYR CA C 74 60.721 60.721 61.362 -0.641 25660 7995 1 15 . 1 1 74 74 TYR CB C 74 39.536 39.536 39.786 -0.250 25660 7996 1 15 . 1 1 74 74 TYR H H 74 7.219 7.219 8.199 -0.980 25660 7997 1 15 . 1 1 75 75 ILE N N 75 114.346 114.346 117.058 -2.712 25660 7998 1 15 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.690 -0.623 25660 7999 1 15 . 1 1 75 75 ILE C C 75 179.773 179.773 173.874 5.899 25660 8000 1 15 . 1 1 75 75 ILE CA C 75 58.474 58.474 57.038 1.436 25660 8001 1 15 . 1 1 75 75 ILE CB C 75 37.615 37.615 38.867 -1.252 25660 8002 1 15 . 1 1 75 75 ILE H H 75 8.189 8.189 8.274 -0.085 25660 8003 1 15 . 1 1 76 76 PRO HA H 76 4.477 4.477 5.028 -0.551 25660 8004 1 15 . 1 1 76 76 PRO C C 76 178.583 178.583 176.601 1.982 25660 8005 1 15 . 1 1 76 76 PRO CA C 76 64.021 64.021 62.334 1.687 25660 8006 1 15 . 1 1 76 76 PRO CB C 76 31.137 31.137 30.733 0.404 25660 8007 1 15 . 1 1 77 77 GLY N N 77 108.831 108.831 111.047 -2.216 25660 8008 1 15 . 1 1 77 77 GLY C C 77 174.866 174.866 174.352 0.514 25660 8009 1 15 . 1 1 77 77 GLY CA C 77 44.314 44.314 46.088 -1.774 25660 8010 1 15 . 1 1 77 77 GLY H H 77 8.563 8.563 7.830 0.733 25660 8011 1 15 . 1 1 78 78 THR N N 78 115.541 115.541 114.624 0.917 25660 8012 1 15 . 1 1 78 78 THR HA H 78 4.226 4.226 4.214 0.012 25660 8013 1 15 . 1 1 78 78 THR C C 78 173.114 173.114 175.285 -2.171 25660 8014 1 15 . 1 1 78 78 THR CA C 78 61.759 61.759 62.765 -1.006 25660 8015 1 15 . 1 1 78 78 THR CB C 78 67.910 67.910 69.671 -1.762 25660 8016 1 15 . 1 1 78 78 THR H H 78 7.922 7.922 7.978 -0.056 25660 8017 1 15 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.353 0.028 25660 8018 1 15 . 1 1 79 79 LYS C C 79 175.845 175.845 176.578 -0.733 25660 8019 1 15 . 1 1 79 79 LYS CA C 79 55.526 55.526 55.972 -0.446 25660 8020 1 15 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.386 -0.083 25660 8021 1 15 . 1 1 80 80 MET N N 80 123.515 123.515 121.926 1.589 25660 8022 1 15 . 1 1 80 80 MET HA H 80 2.934 2.934 4.405 -1.471 25660 8023 1 15 . 1 1 80 80 MET C C 80 171.833 171.833 174.985 -3.152 25660 8024 1 15 . 1 1 80 80 MET CA C 80 55.863 55.863 55.263 0.600 25660 8025 1 15 . 1 1 80 80 MET CB C 80 27.552 27.552 31.827 -4.275 25660 8026 1 15 . 1 1 80 80 MET H H 80 7.384 7.384 7.732 -0.348 25660 8027 1 15 . 1 1 81 81 ILE N N 81 130.146 130.146 128.692 1.454 25660 8028 1 15 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.260 -0.775 25660 8029 1 15 . 1 1 81 81 ILE C C 81 173.220 173.220 175.269 -2.049 25660 8030 1 15 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.281 -0.996 25660 8031 1 15 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.705 -1.093 25660 8032 1 15 . 1 1 81 81 ILE H H 81 7.856 7.856 8.248 -0.392 25660 8033 1 15 . 1 1 82 82 PHE N N 82 123.143 123.143 128.546 -5.403 25660 8034 1 15 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.749 -0.422 25660 8035 1 15 . 1 1 82 82 PHE C C 82 174.333 174.333 174.733 -0.400 25660 8036 1 15 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.339 -0.761 25660 8037 1 15 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.299 -1.655 25660 8038 1 15 . 1 1 82 82 PHE H H 82 6.529 6.529 7.927 -1.398 25660 8039 1 15 . 1 1 83 83 VAL N N 83 125.079 125.079 126.414 -1.335 25660 8040 1 15 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.866 -0.580 25660 8041 1 15 . 1 1 83 83 VAL C C 83 174.444 174.444 175.616 -1.172 25660 8042 1 15 . 1 1 83 83 VAL CA C 83 64.273 64.273 64.361 -0.088 25660 8043 1 15 . 1 1 83 83 VAL CB C 83 31.352 31.352 31.889 -0.537 25660 8044 1 15 . 1 1 83 83 VAL H H 83 7.739 7.739 8.032 -0.293 25660 8045 1 15 . 1 1 84 84 GLY C C 84 172.113 172.113 173.148 -1.035 25660 8046 1 15 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.614 -1.778 25660 8047 1 15 . 1 1 85 85 ILE N N 85 120.758 120.758 122.773 -2.015 25660 8048 1 15 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.260 -0.124 25660 8049 1 15 . 1 1 85 85 ILE C C 85 175.103 175.103 176.329 -1.226 25660 8050 1 15 . 1 1 85 85 ILE CA C 85 59.390 59.390 61.725 -2.335 25660 8051 1 15 . 1 1 85 85 ILE CB C 85 39.528 39.528 37.699 1.829 25660 8052 1 15 . 1 1 85 85 ILE H H 85 8.327 8.327 9.021 -0.694 25660 8053 1 15 . 1 1 86 86 LYS N N 86 127.466 127.466 128.827 -1.361 25660 8054 1 15 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.070 -0.098 25660 8055 1 15 . 1 1 86 86 LYS C C 86 178.442 178.442 177.473 0.969 25660 8056 1 15 . 1 1 86 86 LYS CA C 86 58.619 58.619 58.692 -0.073 25660 8057 1 15 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.781 -0.438 25660 8058 1 15 . 1 1 86 86 LYS H H 86 8.518 8.518 8.742 -0.224 25660 8059 1 15 . 1 1 87 87 LYS N N 87 120.309 120.309 119.680 0.629 25660 8060 1 15 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.272 -0.025 25660 8061 1 15 . 1 1 87 87 LYS C C 87 177.569 177.569 177.704 -0.135 25660 8062 1 15 . 1 1 87 87 LYS CA C 87 56.865 56.865 56.068 0.797 25660 8063 1 15 . 1 1 87 87 LYS CB C 87 32.531 32.531 32.919 -0.388 25660 8064 1 15 . 1 1 87 87 LYS H H 87 8.368 8.368 8.229 0.139 25660 8065 1 15 . 1 1 88 88 LYS N N 88 129.999 129.999 124.953 5.046 25660 8066 1 15 . 1 1 88 88 LYS HA H 88 3.562 3.562 3.961 -0.399 25660 8067 1 15 . 1 1 88 88 LYS C C 88 177.664 177.664 178.137 -0.473 25660 8068 1 15 . 1 1 88 88 LYS CA C 88 60.314 60.314 59.906 0.408 25660 8069 1 15 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.547 -0.464 25660 8070 1 15 . 1 1 88 88 LYS H H 88 9.151 9.151 8.824 0.327 25660 8071 1 15 . 1 1 89 89 GLU N N 89 117.925 117.925 118.461 -0.536 25660 8072 1 15 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.014 -0.115 25660 8073 1 15 . 1 1 89 89 GLU C C 89 177.911 177.911 178.582 -0.671 25660 8074 1 15 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.334 0.425 25660 8075 1 15 . 1 1 89 89 GLU CB C 89 28.814 28.814 28.603 0.211 25660 8076 1 15 . 1 1 89 89 GLU H H 89 9.462 9.462 8.821 0.641 25660 8077 1 15 . 1 1 90 90 GLU N N 90 116.437 116.437 119.503 -3.066 25660 8078 1 15 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.095 0.103 25660 8079 1 15 . 1 1 90 90 GLU C C 90 178.730 178.730 178.919 -0.189 25660 8080 1 15 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.382 -1.105 25660 8081 1 15 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.461 0.529 25660 8082 1 15 . 1 1 90 90 GLU H H 90 6.347 6.347 8.599 -2.252 25660 8083 1 15 . 1 1 91 91 ARG N N 91 117.405 117.405 118.253 -0.848 25660 8084 1 15 . 1 1 91 91 ARG HA H 91 3.740 3.740 4.042 -0.302 25660 8085 1 15 . 1 1 91 91 ARG C C 91 177.430 177.430 178.246 -0.816 25660 8086 1 15 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.240 1.942 25660 8087 1 15 . 1 1 91 91 ARG CB C 91 31.106 31.106 29.695 1.411 25660 8088 1 15 . 1 1 91 91 ARG H H 91 7.423 7.423 7.594 -0.171 25660 8089 1 15 . 1 1 92 92 ALA N N 92 120.161 120.161 122.133 -1.972 25660 8090 1 15 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.185 -0.215 25660 8091 1 15 . 1 1 92 92 ALA C C 92 181.044 181.044 179.586 1.458 25660 8092 1 15 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.771 0.510 25660 8093 1 15 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.126 -0.587 25660 8094 1 15 . 1 1 92 92 ALA H H 92 8.668 8.668 8.205 0.463 25660 8095 1 15 . 1 1 93 93 ASP N N 93 122.101 122.101 120.273 1.828 25660 8096 1 15 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.578 -0.370 25660 8097 1 15 . 1 1 93 93 ASP C C 93 177.634 177.634 178.331 -0.697 25660 8098 1 15 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.176 0.971 25660 8099 1 15 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.832 -1.280 25660 8100 1 15 . 1 1 93 93 ASP H H 93 8.153 8.153 7.762 0.391 25660 8101 1 15 . 1 1 94 94 LEU N N 94 121.208 121.208 122.402 -1.194 25660 8102 1 15 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.104 0.101 25660 8103 1 15 . 1 1 94 94 LEU C C 94 178.395 178.395 178.913 -0.518 25660 8104 1 15 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.068 0.227 25660 8105 1 15 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.206 -0.495 25660 8106 1 15 . 1 1 94 94 LEU H H 94 8.183 8.183 8.382 -0.199 25660 8107 1 15 . 1 1 95 95 ILE N N 95 120.159 120.159 117.937 2.222 25660 8108 1 15 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.676 -0.067 25660 8109 1 15 . 1 1 95 95 ILE C C 95 176.351 176.351 177.454 -1.103 25660 8110 1 15 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.197 1.025 25660 8111 1 15 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.441 0.227 25660 8112 1 15 . 1 1 95 95 ILE H H 95 8.974 8.974 8.098 0.876 25660 8113 1 15 . 1 1 96 96 ALA N N 96 123.001 123.001 122.642 0.359 25660 8114 1 15 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.972 0.054 25660 8115 1 15 . 1 1 96 96 ALA C C 96 180.700 180.700 179.259 1.441 25660 8116 1 15 . 1 1 96 96 ALA CA C 96 54.933 54.933 54.888 0.045 25660 8117 1 15 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.047 -1.077 25660 8118 1 15 . 1 1 96 96 ALA H H 96 7.974 7.974 7.251 0.723 25660 8119 1 15 . 1 1 97 97 TYR N N 97 118.224 118.224 120.143 -1.919 25660 8120 1 15 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.064 0.133 25660 8121 1 15 . 1 1 97 97 TYR C C 97 176.278 176.278 177.401 -1.123 25660 8122 1 15 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.868 1.588 25660 8123 1 15 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.158 -1.215 25660 8124 1 15 . 1 1 97 97 TYR H H 97 8.089 8.089 8.010 0.079 25660 8125 1 15 . 1 1 98 98 LEU N N 98 119.118 119.118 118.540 0.578 25660 8126 1 15 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.362 -0.028 25660 8127 1 15 . 1 1 98 98 LEU C C 98 179.188 179.188 179.148 0.040 25660 8128 1 15 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.771 -0.121 25660 8129 1 15 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.422 0.223 25660 8130 1 15 . 1 1 98 98 LEU H H 98 8.982 8.982 8.333 0.649 25660 8131 1 15 . 1 1 99 99 LYS N N 99 123.889 123.889 117.957 5.932 25660 8132 1 15 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.518 -0.969 25660 8133 1 15 . 1 1 99 99 LYS C C 99 176.653 176.653 177.587 -0.934 25660 8134 1 15 . 1 1 99 99 LYS CA C 99 59.190 59.190 58.458 0.732 25660 8135 1 15 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.833 0.036 25660 8136 1 15 . 1 1 99 99 LYS H H 99 8.945 8.945 8.133 0.812 25660 8137 1 15 . 1 1 100 100 LYS N N 100 116.726 116.726 117.240 -0.514 25660 8138 1 15 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.181 -0.205 25660 8139 1 15 . 1 1 100 100 LYS C C 100 178.363 178.363 176.885 1.478 25660 8140 1 15 . 1 1 100 100 LYS CA C 100 57.655 57.655 57.211 0.444 25660 8141 1 15 . 1 1 100 100 LYS CB C 100 33.175 33.175 33.264 -0.089 25660 8142 1 15 . 1 1 100 100 LYS H H 100 6.724 6.724 7.492 -0.768 25660 8143 1 15 . 1 1 101 101 ALA N N 101 119.416 119.416 117.420 1.996 25660 8144 1 15 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.725 -0.930 25660 8145 1 15 . 1 1 101 101 ALA C C 101 179.576 179.576 178.203 1.373 25660 8146 1 15 . 1 1 101 101 ALA CA C 101 54.401 54.401 52.783 1.618 25660 8147 1 15 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.803 -1.450 25660 8148 1 15 . 1 1 101 101 ALA H H 101 8.539 8.539 7.749 0.790 25660 8149 1 15 . 1 1 102 102 THR N N 102 101.974 101.974 108.133 -6.159 25660 8150 1 15 . 1 1 102 102 THR HA H 102 4.157 4.157 3.281 0.876 25660 8151 1 15 . 1 1 102 102 THR C C 102 172.872 172.872 174.203 -1.331 25660 8152 1 15 . 1 1 102 102 THR CA C 102 61.954 61.954 62.502 -0.548 25660 8153 1 15 . 1 1 102 102 THR CB C 102 69.403 69.403 69.828 -0.425 25660 8154 1 15 . 1 1 102 102 THR H H 102 7.810 7.810 7.974 -0.164 25660 8155 1 15 . 1 1 103 103 ASN N N 103 118.372 118.372 118.302 0.070 25660 8156 1 15 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.902 -0.135 25660 8157 1 15 . 1 1 103 103 ASN C C 103 173.663 173.663 174.810 -1.147 25660 8158 1 15 . 1 1 103 103 ASN CA C 103 52.469 52.469 52.188 0.281 25660 8159 1 15 . 1 1 103 103 ASN CB C 103 41.376 41.376 39.037 2.339 25660 8160 1 15 . 1 1 103 103 ASN H H 103 6.968 6.968 7.933 -0.965 25660 8161 1 16 . 1 1 2 2 ASP N N 2 124.691 124.691 121.826 2.865 25660 8162 1 16 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.901 -0.126 25660 8163 1 16 . 1 1 2 2 ASP C C 2 175.662 175.662 175.531 0.131 25660 8164 1 16 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.831 -0.059 25660 8165 1 16 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.495 -1.183 25660 8166 1 16 . 1 1 2 2 ASP H H 2 9.541 9.541 8.482 1.059 25660 8167 1 16 . 1 1 3 3 VAL N N 3 123.739 123.739 118.781 4.958 25660 8168 1 16 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.948 -0.398 25660 8169 1 16 . 1 1 3 3 VAL C C 3 177.302 177.302 177.314 -0.012 25660 8170 1 16 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.368 0.578 25660 8171 1 16 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.314 -0.349 25660 8172 1 16 . 1 1 3 3 VAL H H 3 8.569 8.569 8.386 0.183 25660 8173 1 16 . 1 1 4 4 GLU N N 4 120.310 120.310 119.807 0.503 25660 8174 1 16 . 1 1 4 4 GLU HA H 4 4.008 4.008 4.011 -0.003 25660 8175 1 16 . 1 1 4 4 GLU C C 4 180.515 180.515 178.977 1.538 25660 8176 1 16 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.605 -0.642 25660 8177 1 16 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.459 -0.980 25660 8178 1 16 . 1 1 4 4 GLU H H 4 8.083 8.083 8.327 -0.244 25660 8179 1 16 . 1 1 5 5 LYS N N 5 121.058 121.058 119.356 1.702 25660 8180 1 16 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.134 -0.235 25660 8181 1 16 . 1 1 5 5 LYS C C 5 180.515 180.515 179.149 1.366 25660 8182 1 16 . 1 1 5 5 LYS CA C 5 59.459 59.459 58.198 1.261 25660 8183 1 16 . 1 1 5 5 LYS CB C 5 32.454 32.454 31.969 0.485 25660 8184 1 16 . 1 1 5 5 LYS H H 5 8.096 8.096 7.911 0.185 25660 8185 1 16 . 1 1 6 6 GLY N N 6 107.193 107.193 107.772 -0.579 25660 8186 1 16 . 1 1 6 6 GLY C C 6 174.012 174.012 176.131 -2.119 25660 8187 1 16 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.897 -0.418 25660 8188 1 16 . 1 1 6 6 GLY H H 6 8.709 8.709 8.179 0.530 25660 8189 1 16 . 1 1 7 7 LYS N N 7 124.124 124.124 121.615 2.509 25660 8190 1 16 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.219 -1.059 25660 8191 1 16 . 1 1 7 7 LYS C C 7 177.457 177.457 178.735 -1.278 25660 8192 1 16 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.676 -0.625 25660 8193 1 16 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.834 0.271 25660 8194 1 16 . 1 1 7 7 LYS H H 7 8.039 8.039 8.175 -0.136 25660 8195 1 16 . 1 1 8 8 LYS N N 8 116.732 116.732 118.192 -1.460 25660 8196 1 16 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.101 -0.286 25660 8197 1 16 . 1 1 8 8 LYS C C 8 179.228 179.228 179.128 0.100 25660 8198 1 16 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.502 0.820 25660 8199 1 16 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.864 -0.049 25660 8200 1 16 . 1 1 8 8 LYS H H 8 6.958 6.958 7.558 -0.600 25660 8201 1 16 . 1 1 9 9 ILE N N 9 119.269 119.269 120.233 -0.964 25660 8202 1 16 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.935 -0.216 25660 8203 1 16 . 1 1 9 9 ILE C C 9 177.006 177.006 177.757 -0.751 25660 8204 1 16 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.487 2.618 25660 8205 1 16 . 1 1 9 9 ILE CB C 9 37.562 37.562 36.923 0.639 25660 8206 1 16 . 1 1 9 9 ILE H H 9 7.681 7.681 7.382 0.299 25660 8207 1 16 . 1 1 10 10 PHE N N 10 120.908 120.908 121.643 -0.735 25660 8208 1 16 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.362 -0.389 25660 8209 1 16 . 1 1 10 10 PHE C C 10 178.820 178.820 177.974 0.846 25660 8210 1 16 . 1 1 10 10 PHE CA C 10 62.164 62.164 62.092 0.072 25660 8211 1 16 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.671 -0.294 25660 8212 1 16 . 1 1 10 10 PHE H H 10 8.635 8.635 7.804 0.831 25660 8213 1 16 . 1 1 11 11 ILE N N 11 121.053 121.053 118.757 2.296 25660 8214 1 16 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.805 -0.489 25660 8215 1 16 . 1 1 11 11 ILE C C 11 178.867 178.867 177.614 1.253 25660 8216 1 16 . 1 1 11 11 ILE CA C 11 65.622 65.622 65.054 0.568 25660 8217 1 16 . 1 1 11 11 ILE CB C 11 37.617 37.617 38.029 -0.411 25660 8218 1 16 . 1 1 11 11 ILE H H 11 8.834 8.834 8.607 0.227 25660 8219 1 16 . 1 1 12 12 MET N N 12 117.328 117.328 117.669 -0.341 25660 8220 1 16 . 1 1 12 12 MET HA H 12 4.219 4.219 4.243 -0.024 25660 8221 1 16 . 1 1 12 12 MET C C 12 177.972 177.972 177.436 0.536 25660 8222 1 16 . 1 1 12 12 MET CA C 12 58.560 58.560 58.127 0.433 25660 8223 1 16 . 1 1 12 12 MET CB C 12 33.675 33.675 33.389 0.285 25660 8224 1 16 . 1 1 12 12 MET H H 12 8.047 8.047 7.719 0.328 25660 8225 1 16 . 1 1 13 13 LYS N N 13 113.452 113.452 114.873 -1.421 25660 8226 1 16 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.460 0.475 25660 8227 1 16 . 1 1 13 13 LYS C C 13 177.353 177.353 177.184 0.169 25660 8228 1 16 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.861 -0.601 25660 8229 1 16 . 1 1 13 13 LYS CB C 13 35.199 35.199 35.003 0.196 25660 8230 1 16 . 1 1 13 13 LYS H H 13 9.016 9.016 8.189 0.827 25660 8231 1 16 . 1 1 14 14 CYS N N 14 115.390 115.390 117.769 -2.379 25660 8232 1 16 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.549 0.747 25660 8233 1 16 . 1 1 14 14 CYS C C 14 177.723 177.723 175.637 2.086 25660 8234 1 16 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.754 -5.635 25660 8235 1 16 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.939 7.845 25660 8236 1 16 . 1 1 14 14 CYS H H 14 8.130 8.130 8.306 -0.176 25660 8237 1 16 . 1 1 15 15 SER N N 15 114.347 114.347 117.603 -3.256 25660 8238 1 16 . 1 1 15 15 SER HA H 15 3.768 3.768 4.292 -0.524 25660 8239 1 16 . 1 1 15 15 SER C C 15 174.272 174.272 175.861 -1.589 25660 8240 1 16 . 1 1 15 15 SER CA C 15 60.587 60.587 61.279 -0.691 25660 8241 1 16 . 1 1 15 15 SER CB C 15 62.483 62.483 63.358 -0.875 25660 8242 1 16 . 1 1 15 15 SER H H 15 7.297 7.297 8.137 -0.840 25660 8243 1 16 . 1 1 16 16 GLN N N 16 120.608 120.608 116.874 3.734 25660 8244 1 16 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.173 -0.264 25660 8245 1 16 . 1 1 16 16 GLN C C 16 176.559 176.559 176.240 0.319 25660 8246 1 16 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.776 0.162 25660 8247 1 16 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.524 -0.624 25660 8248 1 16 . 1 1 16 16 GLN H H 16 8.879 8.879 8.492 0.387 25660 8249 1 16 . 1 1 17 17 CYS N N 17 112.857 112.857 114.534 -1.677 25660 8250 1 16 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.736 -0.652 25660 8251 1 16 . 1 1 17 17 CYS C C 17 171.419 171.419 174.582 -3.163 25660 8252 1 16 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.560 -5.593 25660 8253 1 16 . 1 1 17 17 CYS CB C 17 38.172 38.172 30.555 7.617 25660 8254 1 16 . 1 1 17 17 CYS H H 17 6.805 6.805 7.880 -1.075 25660 8255 1 16 . 1 1 18 18 HIS N N 18 113.603 113.603 119.397 -5.794 25660 8256 1 16 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.348 -1.726 25660 8257 1 16 . 1 1 18 18 HIS CA C 18 53.514 53.514 55.317 -1.803 25660 8258 1 16 . 1 1 18 18 HIS CB C 18 31.916 31.916 32.240 -0.324 25660 8259 1 16 . 1 1 18 18 HIS H H 18 6.223 6.223 8.331 -2.108 25660 8260 1 16 . 1 1 19 19 THR N N 19 109.280 109.280 114.820 -5.540 25660 8261 1 16 . 1 1 19 19 THR HA H 19 4.413 4.413 4.872 -0.459 25660 8262 1 16 . 1 1 19 19 THR C C 19 174.026 174.026 174.250 -0.224 25660 8263 1 16 . 1 1 19 19 THR CA C 19 58.557 58.557 61.794 -3.237 25660 8264 1 16 . 1 1 19 19 THR CB C 19 71.176 71.176 70.969 0.207 25660 8265 1 16 . 1 1 19 19 THR H H 19 7.636 7.636 8.317 -0.681 25660 8266 1 16 . 1 1 20 20 VAL N N 20 110.620 110.620 122.443 -11.823 25660 8267 1 16 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.733 -0.968 25660 8268 1 16 . 1 1 20 20 VAL C C 20 173.470 173.470 175.268 -1.798 25660 8269 1 16 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.691 0.103 25660 8270 1 16 . 1 1 20 20 VAL CB C 20 33.427 33.427 30.640 2.787 25660 8271 1 16 . 1 1 20 20 VAL H H 20 7.675 7.675 8.840 -1.165 25660 8272 1 16 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.337 -0.203 25660 8273 1 16 . 1 1 21 21 GLU C C 21 177.538 177.538 176.017 1.521 25660 8274 1 16 . 1 1 21 21 GLU CA C 21 56.452 56.452 55.403 1.049 25660 8275 1 16 . 1 1 21 21 GLU CB C 21 29.646 29.646 31.089 -1.443 25660 8276 1 16 . 1 1 22 22 LYS N N 22 126.123 126.123 128.756 -2.633 25660 8277 1 16 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.500 -0.448 25660 8278 1 16 . 1 1 22 22 LYS C C 22 177.538 177.538 175.818 1.720 25660 8279 1 16 . 1 1 22 22 LYS CA C 22 57.749 57.749 56.486 1.263 25660 8280 1 16 . 1 1 22 22 LYS CB C 22 30.941 30.941 30.024 0.917 25660 8281 1 16 . 1 1 22 22 LYS H H 22 8.717 8.717 8.751 -0.034 25660 8282 1 16 . 1 1 23 23 GLY N N 23 117.177 117.177 109.315 7.862 25660 8283 1 16 . 1 1 23 23 GLY C C 23 174.531 174.531 173.580 0.951 25660 8284 1 16 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.962 -0.056 25660 8285 1 16 . 1 1 23 23 GLY H H 23 9.078 9.078 8.000 1.078 25660 8286 1 16 . 1 1 24 24 GLY N N 24 107.042 107.042 107.287 -0.245 25660 8287 1 16 . 1 1 24 24 GLY C C 24 172.234 172.234 174.598 -2.364 25660 8288 1 16 . 1 1 24 24 GLY CA C 24 44.146 44.146 45.393 -1.247 25660 8289 1 16 . 1 1 24 24 GLY H H 24 7.730 7.730 7.926 -0.196 25660 8290 1 16 . 1 1 25 25 LYS N N 25 118.452 118.452 121.462 -3.010 25660 8291 1 16 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.258 -0.425 25660 8292 1 16 . 1 1 25 25 LYS C C 25 178.209 178.209 176.024 2.185 25660 8293 1 16 . 1 1 25 25 LYS CA C 25 55.712 55.712 55.467 0.245 25660 8294 1 16 . 1 1 25 25 LYS CB C 25 32.861 32.861 34.242 -1.381 25660 8295 1 16 . 1 1 25 25 LYS H H 25 8.222 8.222 8.184 0.038 25660 8296 1 16 . 1 1 26 26 HIS N N 26 122.465 122.465 117.320 5.145 25660 8297 1 16 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.933 -0.741 25660 8298 1 16 . 1 1 26 26 HIS C C 26 175.081 175.081 175.475 -0.394 25660 8299 1 16 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.455 0.358 25660 8300 1 16 . 1 1 26 26 HIS CB C 26 30.173 30.173 29.944 0.230 25660 8301 1 16 . 1 1 26 26 HIS H H 26 8.545 8.545 8.086 0.459 25660 8302 1 16 . 1 1 27 27 LYS N N 27 126.571 126.571 125.016 1.555 25660 8303 1 16 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.637 -0.267 25660 8304 1 16 . 1 1 27 27 LYS C C 27 175.781 175.781 176.365 -0.584 25660 8305 1 16 . 1 1 27 27 LYS CA C 27 55.066 55.066 54.645 0.421 25660 8306 1 16 . 1 1 27 27 LYS CB C 27 30.731 30.731 34.633 -3.902 25660 8307 1 16 . 1 1 27 27 LYS H H 27 7.439 7.439 8.231 -0.792 25660 8308 1 16 . 1 1 28 28 THR HA H 28 4.017 4.017 4.177 -0.160 25660 8309 1 16 . 1 1 28 28 THR C C 28 174.931 174.931 175.471 -0.540 25660 8310 1 16 . 1 1 28 28 THR CA C 28 67.083 67.083 64.411 2.672 25660 8311 1 16 . 1 1 28 28 THR CB C 28 69.766 69.766 68.998 0.768 25660 8312 1 16 . 1 1 29 29 GLY N N 29 106.150 106.150 108.198 -2.048 25660 8313 1 16 . 1 1 29 29 GLY C C 29 169.328 169.328 171.500 -2.172 25660 8314 1 16 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.884 -2.002 25660 8315 1 16 . 1 1 29 29 GLY H H 29 7.548 7.548 7.388 0.160 25660 8316 1 16 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.426 -0.836 25660 8317 1 16 . 1 1 30 30 PRO CA C 30 60.269 60.269 62.911 -2.642 25660 8318 1 16 . 1 1 30 30 PRO CB C 30 31.020 31.020 32.647 -1.627 25660 8319 1 16 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.347 -0.324 25660 8320 1 16 . 1 1 31 31 ASN C C 31 176.303 176.303 176.961 -0.658 25660 8321 1 16 . 1 1 31 31 ASN CA C 31 54.344 54.344 55.332 -0.988 25660 8322 1 16 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.564 1.221 25660 8323 1 16 . 1 1 31 31 ASN H H 31 10.198 10.198 7.739 2.459 25660 8324 1 16 . 1 1 32 32 LEU N N 32 121.653 121.653 113.533 8.120 25660 8325 1 16 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.715 0.152 25660 8326 1 16 . 1 1 32 32 LEU C C 32 174.533 174.533 174.814 -0.281 25660 8327 1 16 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.570 -2.283 25660 8328 1 16 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.190 1.330 25660 8329 1 16 . 1 1 32 32 LEU H H 32 7.889 7.889 7.803 0.086 25660 8330 1 16 . 1 1 33 33 HIS N N 33 119.860 119.860 117.812 2.048 25660 8331 1 16 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.168 -0.461 25660 8332 1 16 . 1 1 33 33 HIS C C 33 176.992 176.992 176.019 0.973 25660 8333 1 16 . 1 1 33 33 HIS CA C 33 60.491 60.491 58.334 2.157 25660 8334 1 16 . 1 1 33 33 HIS CB C 33 28.223 28.223 29.889 -1.666 25660 8335 1 16 . 1 1 33 33 HIS H H 33 7.445 7.445 7.803 -0.358 25660 8336 1 16 . 1 1 34 34 GLY N N 34 114.645 114.645 115.325 -0.680 25660 8337 1 16 . 1 1 34 34 GLY C C 34 174.473 174.473 174.290 0.183 25660 8338 1 16 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.647 0.066 25660 8339 1 16 . 1 1 34 34 GLY H H 34 8.763 8.763 8.300 0.463 25660 8340 1 16 . 1 1 35 35 LEU N N 35 117.774 117.774 120.661 -2.887 25660 8341 1 16 . 1 1 35 35 LEU HA H 35 3.527 3.527 3.911 -0.384 25660 8342 1 16 . 1 1 35 35 LEU C C 35 176.507 176.507 176.421 0.086 25660 8343 1 16 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.233 0.226 25660 8344 1 16 . 1 1 35 35 LEU CB C 35 43.808 43.808 41.731 2.077 25660 8345 1 16 . 1 1 35 35 LEU H H 35 7.010 7.010 7.291 -0.281 25660 8346 1 16 . 1 1 36 36 PHE N N 36 113.600 113.600 116.931 -3.331 25660 8347 1 16 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.471 -0.623 25660 8348 1 16 . 1 1 36 36 PHE C C 36 176.553 176.553 176.506 0.047 25660 8349 1 16 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.695 0.007 25660 8350 1 16 . 1 1 36 36 PHE CB C 36 36.223 36.223 37.402 -1.179 25660 8351 1 16 . 1 1 36 36 PHE H H 36 8.694 8.694 8.224 0.470 25660 8352 1 16 . 1 1 37 37 GLY N N 37 112.857 112.857 112.691 0.166 25660 8353 1 16 . 1 1 37 37 GLY C C 37 173.382 173.382 173.578 -0.196 25660 8354 1 16 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.807 -0.352 25660 8355 1 16 . 1 1 37 37 GLY H H 37 8.839 8.839 8.834 0.005 25660 8356 1 16 . 1 1 38 38 ARG N N 38 124.035 124.035 120.904 3.131 25660 8357 1 16 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.581 -0.132 25660 8358 1 16 . 1 1 38 38 ARG C C 38 174.415 174.415 175.208 -0.793 25660 8359 1 16 . 1 1 38 38 ARG CA C 38 55.764 55.764 55.230 0.534 25660 8360 1 16 . 1 1 38 38 ARG CB C 38 32.411 32.411 31.672 0.739 25660 8361 1 16 . 1 1 38 38 ARG H H 38 8.215 8.215 7.922 0.293 25660 8362 1 16 . 1 1 39 39 LYS N N 39 123.290 123.290 123.210 0.080 25660 8363 1 16 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.595 0.252 25660 8364 1 16 . 1 1 39 39 LYS C C 39 172.219 172.219 175.805 -3.586 25660 8365 1 16 . 1 1 39 39 LYS CA C 39 55.199 55.199 54.927 0.272 25660 8366 1 16 . 1 1 39 39 LYS CB C 39 33.682 33.682 33.103 0.578 25660 8367 1 16 . 1 1 39 39 LYS H H 39 8.147 8.147 8.510 -0.363 25660 8368 1 16 . 1 1 40 40 THR N N 40 113.158 113.158 114.932 -1.774 25660 8369 1 16 . 1 1 40 40 THR HA H 40 4.463 4.463 4.506 -0.043 25660 8370 1 16 . 1 1 40 40 THR C C 40 175.638 175.638 175.815 -0.177 25660 8371 1 16 . 1 1 40 40 THR CA C 40 61.920 61.920 62.282 -0.363 25660 8372 1 16 . 1 1 40 40 THR CB C 40 68.539 68.539 69.597 -1.058 25660 8373 1 16 . 1 1 40 40 THR H H 40 7.804 7.804 8.379 -0.575 25660 8374 1 16 . 1 1 41 41 GLY N N 41 111.811 111.811 110.232 1.579 25660 8375 1 16 . 1 1 41 41 GLY C C 41 174.720 174.720 173.647 1.073 25660 8376 1 16 . 1 1 41 41 GLY CA C 41 46.409 46.409 45.813 0.596 25660 8377 1 16 . 1 1 41 41 GLY H H 41 9.040 9.040 8.541 0.499 25660 8378 1 16 . 1 1 42 42 GLN N N 42 117.180 117.180 114.998 2.182 25660 8379 1 16 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.516 -0.162 25660 8380 1 16 . 1 1 42 42 GLN C C 42 175.152 175.152 174.993 0.159 25660 8381 1 16 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.424 -0.809 25660 8382 1 16 . 1 1 42 42 GLN CB C 42 28.977 28.977 30.071 -1.094 25660 8383 1 16 . 1 1 42 42 GLN H H 42 8.084 8.084 8.446 -0.362 25660 8384 1 16 . 1 1 43 43 ALA N N 43 125.825 125.825 123.740 2.085 25660 8385 1 16 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.797 -0.261 25660 8386 1 16 . 1 1 43 43 ALA C C 43 175.308 175.308 175.175 0.133 25660 8387 1 16 . 1 1 43 43 ALA CA C 43 49.991 49.991 51.083 -1.092 25660 8388 1 16 . 1 1 43 43 ALA CB C 43 18.488 18.488 19.334 -0.846 25660 8389 1 16 . 1 1 43 43 ALA H H 43 8.063 8.063 7.719 0.344 25660 8390 1 16 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.279 0.077 25660 8391 1 16 . 1 1 44 44 PRO C C 44 178.294 178.294 177.938 0.356 25660 8392 1 16 . 1 1 44 44 PRO CA C 44 63.456 63.456 63.894 -0.438 25660 8393 1 16 . 1 1 44 44 PRO CB C 44 31.514 31.514 32.129 -0.615 25660 8394 1 16 . 1 1 45 45 GLY N N 45 112.024 112.024 106.410 5.614 25660 8395 1 16 . 1 1 45 45 GLY C C 45 173.301 173.301 174.291 -0.990 25660 8396 1 16 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.527 -0.177 25660 8397 1 16 . 1 1 45 45 GLY H H 45 8.831 8.831 8.044 0.787 25660 8398 1 16 . 1 1 46 46 TYR N N 46 120.307 120.307 118.754 1.553 25660 8399 1 16 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.754 -0.562 25660 8400 1 16 . 1 1 46 46 TYR C C 46 174.910 174.910 174.199 0.711 25660 8401 1 16 . 1 1 46 46 TYR CA C 46 57.515 57.515 56.134 1.381 25660 8402 1 16 . 1 1 46 46 TYR CB C 46 39.539 39.539 41.306 -1.766 25660 8403 1 16 . 1 1 46 46 TYR H H 46 7.661 7.661 7.356 0.305 25660 8404 1 16 . 1 1 50 50 ALA N N 50 125.381 125.381 128.851 -3.470 25660 8405 1 16 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.567 -0.401 25660 8406 1 16 . 1 1 50 50 ALA C C 50 178.430 178.430 178.238 0.192 25660 8407 1 16 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.109 0.704 25660 8408 1 16 . 1 1 50 50 ALA CB C 50 17.942 17.942 18.992 -1.050 25660 8409 1 16 . 1 1 50 50 ALA H H 50 8.507 8.507 8.732 -0.225 25660 8410 1 16 . 1 1 51 51 ALA HA H 51 3.993 3.993 4.012 -0.019 25660 8411 1 16 . 1 1 51 51 ALA C C 51 178.634 178.634 179.161 -0.527 25660 8412 1 16 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.920 -0.988 25660 8413 1 16 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.478 -0.229 25660 8414 1 16 . 1 1 52 52 ASN N N 52 117.178 117.178 114.341 2.837 25660 8415 1 16 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.445 -0.116 25660 8416 1 16 . 1 1 52 52 ASN C C 52 176.255 176.255 175.621 0.634 25660 8417 1 16 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.602 0.167 25660 8418 1 16 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.395 0.858 25660 8419 1 16 . 1 1 52 52 ASN H H 52 8.286 8.286 8.030 0.256 25660 8420 1 16 . 1 1 53 53 LYS N N 53 120.164 120.164 119.302 0.862 25660 8421 1 16 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.306 -0.578 25660 8422 1 16 . 1 1 53 53 LYS C C 53 177.676 177.676 177.576 0.100 25660 8423 1 16 . 1 1 53 53 LYS CA C 53 58.402 58.402 57.903 0.499 25660 8424 1 16 . 1 1 53 53 LYS CB C 53 32.296 32.296 34.160 -1.864 25660 8425 1 16 . 1 1 53 53 LYS H H 53 8.152 8.152 7.706 0.446 25660 8426 1 16 . 1 1 54 54 ASN N N 54 116.286 116.286 118.301 -2.015 25660 8427 1 16 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.641 -0.252 25660 8428 1 16 . 1 1 54 54 ASN C C 54 175.501 175.501 177.204 -1.703 25660 8429 1 16 . 1 1 54 54 ASN CA C 54 53.488 53.488 55.326 -1.838 25660 8430 1 16 . 1 1 54 54 ASN CB C 54 38.101 38.101 38.948 -0.847 25660 8431 1 16 . 1 1 54 54 ASN H H 54 8.553 8.553 8.569 -0.016 25660 8432 1 16 . 1 1 55 55 LYS N N 55 121.354 121.354 121.121 0.233 25660 8433 1 16 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.219 -0.187 25660 8434 1 16 . 1 1 55 55 LYS C C 55 177.422 177.422 176.683 0.739 25660 8435 1 16 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.685 1.133 25660 8436 1 16 . 1 1 55 55 LYS CB C 55 31.536 31.536 31.328 0.208 25660 8437 1 16 . 1 1 55 55 LYS H H 55 7.634 7.634 7.606 0.028 25660 8438 1 16 . 1 1 56 56 GLY CA C 56 46.052 46.052 45.498 0.554 25660 8439 1 16 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.338 -0.296 25660 8440 1 16 . 1 1 57 57 ILE C C 57 173.923 173.923 174.153 -0.230 25660 8441 1 16 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.787 -1.166 25660 8442 1 16 . 1 1 57 57 ILE CB C 57 38.366 38.366 40.066 -1.700 25660 8443 1 16 . 1 1 58 58 ILE N N 58 121.053 121.053 126.730 -5.677 25660 8444 1 16 . 1 1 58 58 ILE HA H 58 4.082 4.082 4.234 -0.152 25660 8445 1 16 . 1 1 58 58 ILE C C 58 177.495 177.495 173.733 3.762 25660 8446 1 16 . 1 1 58 58 ILE CA C 58 58.867 58.867 59.105 -0.237 25660 8447 1 16 . 1 1 58 58 ILE CB C 58 38.504 38.504 41.286 -2.782 25660 8448 1 16 . 1 1 58 58 ILE H H 58 7.988 7.988 7.874 0.114 25660 8449 1 16 . 1 1 59 59 TRP N N 59 130.896 130.896 127.411 3.485 25660 8450 1 16 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.526 0.303 25660 8451 1 16 . 1 1 59 59 TRP C C 59 175.793 175.793 175.302 0.491 25660 8452 1 16 . 1 1 59 59 TRP CA C 59 57.229 57.229 56.855 0.374 25660 8453 1 16 . 1 1 59 59 TRP CB C 59 29.908 29.908 29.275 0.633 25660 8454 1 16 . 1 1 59 59 TRP H H 59 8.931 8.931 8.791 0.140 25660 8455 1 16 . 1 1 60 60 GLY N N 60 111.218 111.218 110.186 1.032 25660 8456 1 16 . 1 1 60 60 GLY C C 60 171.636 171.636 173.414 -1.778 25660 8457 1 16 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.069 -0.855 25660 8458 1 16 . 1 1 60 60 GLY H H 60 7.839 7.839 7.822 0.017 25660 8459 1 16 . 1 1 61 61 GLU N N 61 120.606 120.606 119.662 0.944 25660 8460 1 16 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.112 -0.254 25660 8461 1 16 . 1 1 61 61 GLU C C 61 177.011 177.011 177.588 -0.577 25660 8462 1 16 . 1 1 61 61 GLU CA C 61 62.088 62.088 59.786 2.302 25660 8463 1 16 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.866 -0.501 25660 8464 1 16 . 1 1 61 61 GLU H H 61 9.619 9.619 8.981 0.638 25660 8465 1 16 . 1 1 62 62 ASP N N 62 114.943 114.943 116.821 -1.878 25660 8466 1 16 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.631 -0.297 25660 8467 1 16 . 1 1 62 62 ASP C C 62 179.228 179.228 176.709 2.519 25660 8468 1 16 . 1 1 62 62 ASP CA C 62 57.208 57.208 55.351 1.857 25660 8469 1 16 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.703 -1.226 25660 8470 1 16 . 1 1 62 62 ASP H H 62 8.396 8.396 8.751 -0.355 25660 8471 1 16 . 1 1 63 63 THR N N 63 112.857 112.857 109.702 3.155 25660 8472 1 16 . 1 1 63 63 THR HA H 63 4.116 4.116 4.653 -0.537 25660 8473 1 16 . 1 1 63 63 THR C C 63 177.971 177.971 175.916 2.055 25660 8474 1 16 . 1 1 63 63 THR CA C 63 63.601 63.601 63.053 0.548 25660 8475 1 16 . 1 1 63 63 THR CB C 63 68.918 68.918 70.480 -1.562 25660 8476 1 16 . 1 1 63 63 THR H H 63 8.246 8.246 7.296 0.950 25660 8477 1 16 . 1 1 64 64 LEU N N 64 121.355 121.355 124.136 -2.781 25660 8478 1 16 . 1 1 64 64 LEU HA H 64 4.233 4.233 3.999 0.234 25660 8479 1 16 . 1 1 64 64 LEU C C 64 178.628 178.628 178.894 -0.266 25660 8480 1 16 . 1 1 64 64 LEU CA C 64 58.314 58.314 58.336 -0.022 25660 8481 1 16 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.854 0.501 25660 8482 1 16 . 1 1 64 64 LEU H H 64 8.809 8.809 8.753 0.056 25660 8483 1 16 . 1 1 65 65 MET N N 65 118.519 118.519 118.143 0.376 25660 8484 1 16 . 1 1 65 65 MET HA H 65 3.896 3.896 4.086 -0.190 25660 8485 1 16 . 1 1 65 65 MET C C 65 177.782 177.782 177.514 0.268 25660 8486 1 16 . 1 1 65 65 MET CA C 65 57.910 57.910 58.963 -1.053 25660 8487 1 16 . 1 1 65 65 MET CB C 65 31.019 31.019 32.351 -1.332 25660 8488 1 16 . 1 1 65 65 MET H H 65 7.934 7.934 7.958 -0.024 25660 8489 1 16 . 1 1 66 66 GLU N N 66 117.027 117.027 118.754 -1.727 25660 8490 1 16 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.152 -0.194 25660 8491 1 16 . 1 1 66 66 GLU C C 66 178.928 178.928 178.770 0.158 25660 8492 1 16 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.719 -0.617 25660 8493 1 16 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.057 0.619 25660 8494 1 16 . 1 1 66 66 GLU H H 66 6.795 6.795 8.145 -1.350 25660 8495 1 16 . 1 1 67 67 TYR N N 67 120.608 120.608 122.291 -1.683 25660 8496 1 16 . 1 1 67 67 TYR HA H 67 3.501 3.501 3.978 -0.477 25660 8497 1 16 . 1 1 67 67 TYR C C 67 176.312 176.312 177.840 -1.528 25660 8498 1 16 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.438 -1.527 25660 8499 1 16 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.685 1.433 25660 8500 1 16 . 1 1 67 67 TYR H H 67 8.170 8.170 7.980 0.190 25660 8501 1 16 . 1 1 68 68 LEU N N 68 109.278 109.278 117.907 -8.629 25660 8502 1 16 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.897 -0.911 25660 8503 1 16 . 1 1 68 68 LEU C C 68 176.652 176.652 178.694 -2.042 25660 8504 1 16 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.970 -1.759 25660 8505 1 16 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.437 -0.249 25660 8506 1 16 . 1 1 68 68 LEU H H 68 8.108 8.108 8.567 -0.459 25660 8507 1 16 . 1 1 69 69 GLU N N 69 119.118 119.118 119.978 -0.860 25660 8508 1 16 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.319 -0.459 25660 8509 1 16 . 1 1 69 69 GLU C C 69 176.033 176.033 175.897 0.136 25660 8510 1 16 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.065 -0.539 25660 8511 1 16 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.511 -0.962 25660 8512 1 16 . 1 1 69 69 GLU H H 69 6.783 6.783 8.098 -1.315 25660 8513 1 16 . 1 1 70 70 ASN N N 70 105.553 105.553 111.838 -6.285 25660 8514 1 16 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.431 -1.300 25660 8515 1 16 . 1 1 70 70 ASN C C 70 172.247 172.247 172.765 -0.518 25660 8516 1 16 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.302 0.063 25660 8517 1 16 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.441 -1.644 25660 8518 1 16 . 1 1 70 70 ASN H H 70 6.092 6.092 7.803 -1.711 25660 8519 1 16 . 1 1 71 71 PRO HA H 71 3.517 3.517 3.379 0.138 25660 8520 1 16 . 1 1 71 71 PRO C C 71 176.414 176.414 177.982 -1.568 25660 8521 1 16 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.326 0.346 25660 8522 1 16 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.728 -1.793 25660 8523 1 16 . 1 1 72 72 LYS N N 72 113.454 113.454 115.426 -1.972 25660 8524 1 16 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.100 -0.385 25660 8525 1 16 . 1 1 72 72 LYS C C 72 177.234 177.234 178.167 -0.933 25660 8526 1 16 . 1 1 72 72 LYS CA C 72 57.046 57.046 58.816 -1.770 25660 8527 1 16 . 1 1 72 72 LYS CB C 72 31.565 31.565 31.273 0.293 25660 8528 1 16 . 1 1 72 72 LYS H H 72 7.457 7.457 7.746 -0.289 25660 8529 1 16 . 1 1 73 73 LYS N N 73 118.522 118.522 118.805 -0.283 25660 8530 1 16 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.165 -0.375 25660 8531 1 16 . 1 1 73 73 LYS C C 73 176.890 176.890 178.514 -1.624 25660 8532 1 16 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.427 -1.020 25660 8533 1 16 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.771 0.128 25660 8534 1 16 . 1 1 73 73 LYS H H 73 6.855 6.855 7.511 -0.656 25660 8535 1 16 . 1 1 74 74 TYR N N 74 118.674 118.674 119.421 -0.747 25660 8536 1 16 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.311 -0.080 25660 8537 1 16 . 1 1 74 74 TYR C C 74 175.794 175.794 175.321 0.473 25660 8538 1 16 . 1 1 74 74 TYR CA C 74 60.721 60.721 61.136 -0.415 25660 8539 1 16 . 1 1 74 74 TYR CB C 74 39.536 39.536 40.263 -0.727 25660 8540 1 16 . 1 1 74 74 TYR H H 74 7.219 7.219 7.768 -0.549 25660 8541 1 16 . 1 1 75 75 ILE N N 75 114.346 114.346 117.126 -2.780 25660 8542 1 16 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.723 -0.656 25660 8543 1 16 . 1 1 75 75 ILE C C 75 179.773 179.773 173.805 5.968 25660 8544 1 16 . 1 1 75 75 ILE CA C 75 58.474 58.474 57.245 1.229 25660 8545 1 16 . 1 1 75 75 ILE CB C 75 37.615 37.615 37.953 -0.338 25660 8546 1 16 . 1 1 75 75 ILE H H 75 8.189 8.189 8.177 0.012 25660 8547 1 16 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.901 -0.424 25660 8548 1 16 . 1 1 76 76 PRO C C 76 178.583 178.583 176.879 1.704 25660 8549 1 16 . 1 1 76 76 PRO CA C 76 64.021 64.021 62.991 1.030 25660 8550 1 16 . 1 1 76 76 PRO CB C 76 31.137 31.137 30.020 1.117 25660 8551 1 16 . 1 1 77 77 GLY N N 77 108.831 108.831 109.253 -0.422 25660 8552 1 16 . 1 1 77 77 GLY C C 77 174.866 174.866 174.140 0.726 25660 8553 1 16 . 1 1 77 77 GLY CA C 77 44.314 44.314 46.015 -1.701 25660 8554 1 16 . 1 1 77 77 GLY H H 77 8.563 8.563 8.467 0.096 25660 8555 1 16 . 1 1 78 78 THR N N 78 115.541 115.541 116.575 -1.034 25660 8556 1 16 . 1 1 78 78 THR HA H 78 4.226 4.226 4.448 -0.222 25660 8557 1 16 . 1 1 78 78 THR C C 78 173.114 173.114 175.553 -2.439 25660 8558 1 16 . 1 1 78 78 THR CA C 78 61.759 61.759 62.863 -1.104 25660 8559 1 16 . 1 1 78 78 THR CB C 78 67.910 67.910 70.238 -2.328 25660 8560 1 16 . 1 1 78 78 THR H H 78 7.922 7.922 7.754 0.168 25660 8561 1 16 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.258 0.123 25660 8562 1 16 . 1 1 79 79 LYS C C 79 175.845 175.845 177.144 -1.299 25660 8563 1 16 . 1 1 79 79 LYS CA C 79 55.526 55.526 56.528 -1.002 25660 8564 1 16 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.464 -0.161 25660 8565 1 16 . 1 1 80 80 MET N N 80 123.515 123.515 121.496 2.019 25660 8566 1 16 . 1 1 80 80 MET HA H 80 2.934 2.934 4.437 -1.503 25660 8567 1 16 . 1 1 80 80 MET C C 80 171.833 171.833 174.894 -3.061 25660 8568 1 16 . 1 1 80 80 MET CA C 80 55.863 55.863 55.594 0.269 25660 8569 1 16 . 1 1 80 80 MET CB C 80 27.552 27.552 32.179 -4.627 25660 8570 1 16 . 1 1 80 80 MET H H 80 7.384 7.384 7.593 -0.209 25660 8571 1 16 . 1 1 81 81 ILE N N 81 130.146 130.146 128.463 1.683 25660 8572 1 16 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.234 -0.749 25660 8573 1 16 . 1 1 81 81 ILE C C 81 173.220 173.220 175.334 -2.114 25660 8574 1 16 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.348 -1.063 25660 8575 1 16 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.528 -0.916 25660 8576 1 16 . 1 1 81 81 ILE H H 81 7.856 7.856 8.279 -0.423 25660 8577 1 16 . 1 1 82 82 PHE N N 82 123.143 123.143 128.510 -5.367 25660 8578 1 16 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.757 -0.430 25660 8579 1 16 . 1 1 82 82 PHE C C 82 174.333 174.333 174.709 -0.376 25660 8580 1 16 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.205 -0.626 25660 8581 1 16 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.310 -1.667 25660 8582 1 16 . 1 1 82 82 PHE H H 82 6.529 6.529 7.998 -1.469 25660 8583 1 16 . 1 1 83 83 VAL N N 83 125.079 125.079 124.494 0.585 25660 8584 1 16 . 1 1 83 83 VAL HA H 83 3.286 3.286 4.018 -0.732 25660 8585 1 16 . 1 1 83 83 VAL C C 83 174.444 174.444 176.242 -1.798 25660 8586 1 16 . 1 1 83 83 VAL CA C 83 64.273 64.273 64.446 -0.173 25660 8587 1 16 . 1 1 83 83 VAL CB C 83 31.352 31.352 31.872 -0.520 25660 8588 1 16 . 1 1 83 83 VAL H H 83 7.739 7.739 8.115 -0.376 25660 8589 1 16 . 1 1 84 84 GLY C C 84 172.113 172.113 173.050 -0.937 25660 8590 1 16 . 1 1 84 84 GLY CA C 84 42.836 42.836 45.108 -2.272 25660 8591 1 16 . 1 1 85 85 ILE N N 85 120.758 120.758 121.760 -1.002 25660 8592 1 16 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.464 -0.328 25660 8593 1 16 . 1 1 85 85 ILE C C 85 175.103 175.103 175.536 -0.433 25660 8594 1 16 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.337 -0.947 25660 8595 1 16 . 1 1 85 85 ILE CB C 85 39.528 39.528 37.549 1.979 25660 8596 1 16 . 1 1 85 85 ILE H H 85 8.327 8.327 8.834 -0.507 25660 8597 1 16 . 1 1 86 86 LYS N N 86 127.466 127.466 126.537 0.929 25660 8598 1 16 . 1 1 86 86 LYS HA H 86 3.972 3.972 3.957 0.015 25660 8599 1 16 . 1 1 86 86 LYS C C 86 178.442 178.442 176.199 2.243 25660 8600 1 16 . 1 1 86 86 LYS CA C 86 58.619 58.619 58.831 -0.212 25660 8601 1 16 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.792 -0.449 25660 8602 1 16 . 1 1 86 86 LYS H H 86 8.518 8.518 8.457 0.061 25660 8603 1 16 . 1 1 87 87 LYS N N 87 120.309 120.309 117.623 2.686 25660 8604 1 16 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.310 -0.063 25660 8605 1 16 . 1 1 87 87 LYS C C 87 177.569 177.569 177.856 -0.287 25660 8606 1 16 . 1 1 87 87 LYS CA C 87 56.865 56.865 56.201 0.664 25660 8607 1 16 . 1 1 87 87 LYS CB C 87 32.531 32.531 33.298 -0.767 25660 8608 1 16 . 1 1 87 87 LYS H H 87 8.368 8.368 7.904 0.464 25660 8609 1 16 . 1 1 88 88 LYS N N 88 129.999 129.999 124.973 5.026 25660 8610 1 16 . 1 1 88 88 LYS HA H 88 3.562 3.562 4.059 -0.497 25660 8611 1 16 . 1 1 88 88 LYS C C 88 177.664 177.664 178.397 -0.733 25660 8612 1 16 . 1 1 88 88 LYS CA C 88 60.314 60.314 58.994 1.320 25660 8613 1 16 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.164 -0.081 25660 8614 1 16 . 1 1 88 88 LYS H H 88 9.151 9.151 8.859 0.292 25660 8615 1 16 . 1 1 89 89 GLU N N 89 117.925 117.925 120.339 -2.414 25660 8616 1 16 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.114 -0.215 25660 8617 1 16 . 1 1 89 89 GLU C C 89 177.911 177.911 178.783 -0.872 25660 8618 1 16 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.388 0.372 25660 8619 1 16 . 1 1 89 89 GLU CB C 89 28.814 28.814 28.616 0.198 25660 8620 1 16 . 1 1 89 89 GLU H H 89 9.462 9.462 8.986 0.476 25660 8621 1 16 . 1 1 90 90 GLU N N 90 116.437 116.437 119.230 -2.793 25660 8622 1 16 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.222 -0.024 25660 8623 1 16 . 1 1 90 90 GLU C C 90 178.730 178.730 179.093 -0.363 25660 8624 1 16 . 1 1 90 90 GLU CA C 90 58.277 58.277 58.951 -0.674 25660 8625 1 16 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.488 0.503 25660 8626 1 16 . 1 1 90 90 GLU H H 90 6.347 6.347 8.517 -2.170 25660 8627 1 16 . 1 1 91 91 ARG N N 91 117.405 117.405 119.724 -2.319 25660 8628 1 16 . 1 1 91 91 ARG HA H 91 3.740 3.740 3.942 -0.202 25660 8629 1 16 . 1 1 91 91 ARG C C 91 177.430 177.430 178.446 -1.016 25660 8630 1 16 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.941 1.241 25660 8631 1 16 . 1 1 91 91 ARG CB C 91 31.106 31.106 30.131 0.975 25660 8632 1 16 . 1 1 91 91 ARG H H 91 7.423 7.423 7.807 -0.384 25660 8633 1 16 . 1 1 92 92 ALA N N 92 120.161 120.161 121.829 -1.668 25660 8634 1 16 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.136 -0.166 25660 8635 1 16 . 1 1 92 92 ALA C C 92 181.044 181.044 179.632 1.412 25660 8636 1 16 . 1 1 92 92 ALA CA C 92 55.281 55.281 55.271 0.010 25660 8637 1 16 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.121 -0.582 25660 8638 1 16 . 1 1 92 92 ALA H H 92 8.668 8.668 8.510 0.158 25660 8639 1 16 . 1 1 93 93 ASP N N 93 122.101 122.101 120.104 1.997 25660 8640 1 16 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.537 -0.329 25660 8641 1 16 . 1 1 93 93 ASP C C 93 177.634 177.634 178.524 -0.890 25660 8642 1 16 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.420 0.727 25660 8643 1 16 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.622 -1.070 25660 8644 1 16 . 1 1 93 93 ASP H H 93 8.153 8.153 7.553 0.600 25660 8645 1 16 . 1 1 94 94 LEU N N 94 121.208 121.208 122.328 -1.120 25660 8646 1 16 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.128 0.077 25660 8647 1 16 . 1 1 94 94 LEU C C 94 178.395 178.395 178.911 -0.516 25660 8648 1 16 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.143 0.152 25660 8649 1 16 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.249 -0.538 25660 8650 1 16 . 1 1 94 94 LEU H H 94 8.183 8.183 8.449 -0.266 25660 8651 1 16 . 1 1 95 95 ILE N N 95 120.159 120.159 118.249 1.910 25660 8652 1 16 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.663 -0.054 25660 8653 1 16 . 1 1 95 95 ILE C C 95 176.351 176.351 177.638 -1.287 25660 8654 1 16 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.369 0.853 25660 8655 1 16 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.610 0.058 25660 8656 1 16 . 1 1 95 95 ILE H H 95 8.974 8.974 8.509 0.465 25660 8657 1 16 . 1 1 96 96 ALA N N 96 123.001 123.001 123.084 -0.083 25660 8658 1 16 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.981 0.045 25660 8659 1 16 . 1 1 96 96 ALA C C 96 180.700 180.700 179.198 1.502 25660 8660 1 16 . 1 1 96 96 ALA CA C 96 54.933 54.933 55.183 -0.250 25660 8661 1 16 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.097 -1.127 25660 8662 1 16 . 1 1 96 96 ALA H H 96 7.974 7.974 7.561 0.413 25660 8663 1 16 . 1 1 97 97 TYR N N 97 118.224 118.224 120.193 -1.969 25660 8664 1 16 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.127 0.070 25660 8665 1 16 . 1 1 97 97 TYR C C 97 176.278 176.278 177.437 -1.159 25660 8666 1 16 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.580 1.876 25660 8667 1 16 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.181 -1.238 25660 8668 1 16 . 1 1 97 97 TYR H H 97 8.089 8.089 8.046 0.043 25660 8669 1 16 . 1 1 98 98 LEU N N 98 119.118 119.118 118.969 0.149 25660 8670 1 16 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.355 -0.021 25660 8671 1 16 . 1 1 98 98 LEU C C 98 179.188 179.188 179.236 -0.048 25660 8672 1 16 . 1 1 98 98 LEU CA C 98 57.650 57.650 58.185 -0.535 25660 8673 1 16 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.408 0.237 25660 8674 1 16 . 1 1 98 98 LEU H H 98 8.982 8.982 8.679 0.303 25660 8675 1 16 . 1 1 99 99 LYS N N 99 123.889 123.889 119.424 4.465 25660 8676 1 16 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.687 -1.138 25660 8677 1 16 . 1 1 99 99 LYS C C 99 176.653 176.653 179.000 -2.347 25660 8678 1 16 . 1 1 99 99 LYS CA C 99 59.190 59.190 59.570 -0.380 25660 8679 1 16 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.903 -0.034 25660 8680 1 16 . 1 1 99 99 LYS H H 99 8.945 8.945 8.173 0.772 25660 8681 1 16 . 1 1 100 100 LYS N N 100 116.726 116.726 118.963 -2.237 25660 8682 1 16 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.010 -0.034 25660 8683 1 16 . 1 1 100 100 LYS C C 100 178.363 178.363 177.535 0.828 25660 8684 1 16 . 1 1 100 100 LYS CA C 100 57.655 57.655 58.367 -0.712 25660 8685 1 16 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.462 0.713 25660 8686 1 16 . 1 1 100 100 LYS H H 100 6.724 6.724 7.697 -0.973 25660 8687 1 16 . 1 1 101 101 ALA N N 101 119.416 119.416 116.734 2.682 25660 8688 1 16 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.627 -0.832 25660 8689 1 16 . 1 1 101 101 ALA C C 101 179.576 179.576 177.592 1.984 25660 8690 1 16 . 1 1 101 101 ALA CA C 101 54.401 54.401 52.975 1.426 25660 8691 1 16 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.714 -1.361 25660 8692 1 16 . 1 1 101 101 ALA H H 101 8.539 8.539 8.010 0.529 25660 8693 1 16 . 1 1 102 102 THR N N 102 101.974 101.974 107.850 -5.876 25660 8694 1 16 . 1 1 102 102 THR HA H 102 4.157 4.157 3.382 0.775 25660 8695 1 16 . 1 1 102 102 THR C C 102 172.872 172.872 174.915 -2.043 25660 8696 1 16 . 1 1 102 102 THR CA C 102 61.954 61.954 61.595 0.359 25660 8697 1 16 . 1 1 102 102 THR CB C 102 69.403 69.403 69.450 -0.047 25660 8698 1 16 . 1 1 102 102 THR H H 102 7.810 7.810 7.750 0.060 25660 8699 1 16 . 1 1 103 103 ASN N N 103 118.372 118.372 119.212 -0.840 25660 8700 1 16 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.738 0.029 25660 8701 1 16 . 1 1 103 103 ASN C C 103 173.663 173.663 174.993 -1.330 25660 8702 1 16 . 1 1 103 103 ASN CA C 103 52.469 52.469 52.676 -0.207 25660 8703 1 16 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.364 3.012 25660 8704 1 16 . 1 1 103 103 ASN H H 103 6.968 6.968 7.566 -0.598 25660 8705 1 17 . 1 1 2 2 ASP N N 2 124.691 124.691 122.049 2.642 25660 8706 1 17 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.925 -0.150 25660 8707 1 17 . 1 1 2 2 ASP C C 2 175.662 175.662 175.504 0.158 25660 8708 1 17 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.580 0.192 25660 8709 1 17 . 1 1 2 2 ASP CB C 2 42.313 42.313 42.894 -0.581 25660 8710 1 17 . 1 1 2 2 ASP H H 2 9.541 9.541 8.573 0.968 25660 8711 1 17 . 1 1 3 3 VAL N N 3 123.739 123.739 118.963 4.776 25660 8712 1 17 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.987 -0.437 25660 8713 1 17 . 1 1 3 3 VAL C C 3 177.302 177.302 177.530 -0.228 25660 8714 1 17 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.927 0.019 25660 8715 1 17 . 1 1 3 3 VAL CB C 3 31.965 31.965 31.974 -0.009 25660 8716 1 17 . 1 1 3 3 VAL H H 3 8.569 8.569 8.440 0.129 25660 8717 1 17 . 1 1 4 4 GLU N N 4 120.310 120.310 119.058 1.252 25660 8718 1 17 . 1 1 4 4 GLU HA H 4 4.008 4.008 4.067 -0.059 25660 8719 1 17 . 1 1 4 4 GLU C C 4 180.515 180.515 179.109 1.406 25660 8720 1 17 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.341 -0.378 25660 8721 1 17 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.254 -0.775 25660 8722 1 17 . 1 1 4 4 GLU H H 4 8.083 8.083 7.942 0.141 25660 8723 1 17 . 1 1 5 5 LYS N N 5 121.058 121.058 118.622 2.436 25660 8724 1 17 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.153 -0.254 25660 8725 1 17 . 1 1 5 5 LYS C C 5 180.515 180.515 179.105 1.410 25660 8726 1 17 . 1 1 5 5 LYS CA C 5 59.459 59.459 57.723 1.736 25660 8727 1 17 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.164 0.290 25660 8728 1 17 . 1 1 5 5 LYS H H 5 8.096 8.096 7.646 0.450 25660 8729 1 17 . 1 1 6 6 GLY N N 6 107.193 107.193 107.503 -0.310 25660 8730 1 17 . 1 1 6 6 GLY C C 6 174.012 174.012 175.807 -1.795 25660 8731 1 17 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.717 -0.238 25660 8732 1 17 . 1 1 6 6 GLY H H 6 8.709 8.709 8.255 0.454 25660 8733 1 17 . 1 1 7 7 LYS N N 7 124.124 124.124 121.270 2.854 25660 8734 1 17 . 1 1 7 7 LYS HA H 7 2.160 2.160 2.956 -0.796 25660 8735 1 17 . 1 1 7 7 LYS C C 7 177.457 177.457 178.624 -1.167 25660 8736 1 17 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.561 -0.509 25660 8737 1 17 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.878 0.227 25660 8738 1 17 . 1 1 7 7 LYS H H 7 8.039 8.039 7.918 0.121 25660 8739 1 17 . 1 1 8 8 LYS N N 8 116.732 116.732 118.487 -1.755 25660 8740 1 17 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.054 -0.239 25660 8741 1 17 . 1 1 8 8 LYS C C 8 179.228 179.228 178.972 0.256 25660 8742 1 17 . 1 1 8 8 LYS CA C 8 59.322 59.322 59.035 0.287 25660 8743 1 17 . 1 1 8 8 LYS CB C 8 31.815 31.815 32.213 -0.398 25660 8744 1 17 . 1 1 8 8 LYS H H 8 6.958 6.958 7.556 -0.598 25660 8745 1 17 . 1 1 9 9 ILE N N 9 119.269 119.269 120.018 -0.749 25660 8746 1 17 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.908 -0.189 25660 8747 1 17 . 1 1 9 9 ILE C C 9 177.006 177.006 178.060 -1.054 25660 8748 1 17 . 1 1 9 9 ILE CA C 9 65.105 65.105 63.006 2.099 25660 8749 1 17 . 1 1 9 9 ILE CB C 9 37.562 37.562 37.217 0.345 25660 8750 1 17 . 1 1 9 9 ILE H H 9 7.681 7.681 7.550 0.131 25660 8751 1 17 . 1 1 10 10 PHE N N 10 120.908 120.908 121.470 -0.562 25660 8752 1 17 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.375 -0.402 25660 8753 1 17 . 1 1 10 10 PHE C C 10 178.820 178.820 178.339 0.481 25660 8754 1 17 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.463 0.701 25660 8755 1 17 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.193 0.184 25660 8756 1 17 . 1 1 10 10 PHE H H 10 8.635 8.635 7.553 1.082 25660 8757 1 17 . 1 1 11 11 ILE N N 11 121.053 121.053 120.075 0.978 25660 8758 1 17 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.717 -0.401 25660 8759 1 17 . 1 1 11 11 ILE C C 11 178.867 178.867 177.411 1.456 25660 8760 1 17 . 1 1 11 11 ILE CA C 11 65.622 65.622 65.013 0.609 25660 8761 1 17 . 1 1 11 11 ILE CB C 11 37.617 37.617 38.094 -0.477 25660 8762 1 17 . 1 1 11 11 ILE H H 11 8.834 8.834 8.592 0.242 25660 8763 1 17 . 1 1 12 12 MET N N 12 117.328 117.328 117.916 -0.588 25660 8764 1 17 . 1 1 12 12 MET HA H 12 4.219 4.219 4.195 0.024 25660 8765 1 17 . 1 1 12 12 MET C C 12 177.972 177.972 177.522 0.450 25660 8766 1 17 . 1 1 12 12 MET CA C 12 58.560 58.560 58.246 0.314 25660 8767 1 17 . 1 1 12 12 MET CB C 12 33.675 33.675 33.270 0.405 25660 8768 1 17 . 1 1 12 12 MET H H 12 8.047 8.047 7.888 0.159 25660 8769 1 17 . 1 1 13 13 LYS N N 13 113.452 113.452 114.987 -1.535 25660 8770 1 17 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.466 0.469 25660 8771 1 17 . 1 1 13 13 LYS C C 13 177.353 177.353 177.160 0.193 25660 8772 1 17 . 1 1 13 13 LYS CA C 13 57.260 57.260 58.016 -0.756 25660 8773 1 17 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.596 0.603 25660 8774 1 17 . 1 1 13 13 LYS H H 13 9.016 9.016 8.138 0.878 25660 8775 1 17 . 1 1 14 14 CYS N N 14 115.390 115.390 117.434 -2.044 25660 8776 1 17 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.642 0.654 25660 8777 1 17 . 1 1 14 14 CYS C C 14 177.723 177.723 175.839 1.884 25660 8778 1 17 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.734 -5.615 25660 8779 1 17 . 1 1 14 14 CYS CB C 14 36.784 36.784 29.243 7.541 25660 8780 1 17 . 1 1 14 14 CYS H H 14 8.130 8.130 7.790 0.340 25660 8781 1 17 . 1 1 15 15 SER N N 15 114.347 114.347 117.211 -2.864 25660 8782 1 17 . 1 1 15 15 SER HA H 15 3.768 3.768 4.165 -0.397 25660 8783 1 17 . 1 1 15 15 SER C C 15 174.272 174.272 175.677 -1.405 25660 8784 1 17 . 1 1 15 15 SER CA C 15 60.587 60.587 60.882 -0.295 25660 8785 1 17 . 1 1 15 15 SER CB C 15 62.483 62.483 63.062 -0.579 25660 8786 1 17 . 1 1 15 15 SER H H 15 7.297 7.297 7.905 -0.608 25660 8787 1 17 . 1 1 16 16 GLN N N 16 120.608 120.608 116.922 3.686 25660 8788 1 17 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.096 -0.187 25660 8789 1 17 . 1 1 16 16 GLN C C 16 176.559 176.559 175.417 1.142 25660 8790 1 17 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.599 0.339 25660 8791 1 17 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.388 -0.488 25660 8792 1 17 . 1 1 16 16 GLN H H 16 8.879 8.879 8.461 0.418 25660 8793 1 17 . 1 1 17 17 CYS N N 17 112.857 112.857 114.101 -1.244 25660 8794 1 17 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.517 -0.433 25660 8795 1 17 . 1 1 17 17 CYS C C 17 171.419 171.419 173.607 -2.188 25660 8796 1 17 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.050 -5.083 25660 8797 1 17 . 1 1 17 17 CYS CB C 17 38.172 38.172 30.041 8.131 25660 8798 1 17 . 1 1 17 17 CYS H H 17 6.805 6.805 7.738 -0.933 25660 8799 1 17 . 1 1 18 18 HIS N N 18 113.603 113.603 118.683 -5.080 25660 8800 1 17 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.528 -1.906 25660 8801 1 17 . 1 1 18 18 HIS CA C 18 53.514 53.514 54.751 -1.237 25660 8802 1 17 . 1 1 18 18 HIS CB C 18 31.916 31.916 33.147 -1.230 25660 8803 1 17 . 1 1 18 18 HIS H H 18 6.223 6.223 8.397 -2.174 25660 8804 1 17 . 1 1 19 19 THR N N 19 109.280 109.280 111.753 -2.473 25660 8805 1 17 . 1 1 19 19 THR HA H 19 4.413 4.413 5.011 -0.598 25660 8806 1 17 . 1 1 19 19 THR C C 19 174.026 174.026 173.996 0.030 25660 8807 1 17 . 1 1 19 19 THR CA C 19 58.557 58.557 61.496 -2.939 25660 8808 1 17 . 1 1 19 19 THR CB C 19 71.176 71.176 70.961 0.215 25660 8809 1 17 . 1 1 19 19 THR H H 19 7.636 7.636 8.344 -0.708 25660 8810 1 17 . 1 1 20 20 VAL N N 20 110.620 110.620 118.587 -7.967 25660 8811 1 17 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.715 -0.950 25660 8812 1 17 . 1 1 20 20 VAL C C 20 173.470 173.470 175.278 -1.808 25660 8813 1 17 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.570 0.224 25660 8814 1 17 . 1 1 20 20 VAL CB C 20 33.427 33.427 30.834 2.593 25660 8815 1 17 . 1 1 20 20 VAL H H 20 7.675 7.675 8.693 -1.018 25660 8816 1 17 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.306 -0.172 25660 8817 1 17 . 1 1 21 21 GLU C C 21 177.538 177.538 175.781 1.757 25660 8818 1 17 . 1 1 21 21 GLU CA C 21 56.452 56.452 55.516 0.936 25660 8819 1 17 . 1 1 21 21 GLU CB C 21 29.646 29.646 30.930 -1.284 25660 8820 1 17 . 1 1 22 22 LYS N N 22 126.123 126.123 127.029 -0.906 25660 8821 1 17 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.562 -0.509 25660 8822 1 17 . 1 1 22 22 LYS C C 22 177.538 177.538 176.671 0.867 25660 8823 1 17 . 1 1 22 22 LYS CA C 22 57.749 57.749 57.198 0.551 25660 8824 1 17 . 1 1 22 22 LYS CB C 22 30.941 30.941 31.345 -0.404 25660 8825 1 17 . 1 1 22 22 LYS H H 22 8.717 8.717 8.427 0.290 25660 8826 1 17 . 1 1 23 23 GLY N N 23 117.177 117.177 114.105 3.072 25660 8827 1 17 . 1 1 23 23 GLY C C 23 174.531 174.531 173.645 0.886 25660 8828 1 17 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.660 0.246 25660 8829 1 17 . 1 1 23 23 GLY H H 23 9.078 9.078 8.609 0.469 25660 8830 1 17 . 1 1 24 24 GLY N N 24 107.042 107.042 109.772 -2.730 25660 8831 1 17 . 1 1 24 24 GLY C C 24 172.234 172.234 173.262 -1.028 25660 8832 1 17 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.850 -0.704 25660 8833 1 17 . 1 1 24 24 GLY H H 24 7.730 7.730 8.000 -0.270 25660 8834 1 17 . 1 1 25 25 LYS N N 25 118.452 118.452 120.307 -1.855 25660 8835 1 17 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.341 -0.508 25660 8836 1 17 . 1 1 25 25 LYS C C 25 178.209 178.209 175.718 2.491 25660 8837 1 17 . 1 1 25 25 LYS CA C 25 55.712 55.712 54.297 1.415 25660 8838 1 17 . 1 1 25 25 LYS CB C 25 32.861 32.861 36.053 -3.192 25660 8839 1 17 . 1 1 25 25 LYS H H 25 8.222 8.222 8.083 0.139 25660 8840 1 17 . 1 1 26 26 HIS N N 26 122.465 122.465 120.578 1.887 25660 8841 1 17 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.496 -0.304 25660 8842 1 17 . 1 1 26 26 HIS C C 26 175.081 175.081 175.381 -0.300 25660 8843 1 17 . 1 1 26 26 HIS CA C 26 55.813 55.813 56.934 -1.121 25660 8844 1 17 . 1 1 26 26 HIS CB C 26 30.173 30.173 29.975 0.198 25660 8845 1 17 . 1 1 26 26 HIS H H 26 8.545 8.545 8.490 0.055 25660 8846 1 17 . 1 1 27 27 LYS N N 27 126.571 126.571 118.299 8.272 25660 8847 1 17 . 1 1 27 27 LYS HA H 27 4.370 4.370 3.984 0.386 25660 8848 1 17 . 1 1 27 27 LYS C C 27 175.781 175.781 177.587 -1.806 25660 8849 1 17 . 1 1 27 27 LYS CA C 27 55.066 55.066 57.953 -2.887 25660 8850 1 17 . 1 1 27 27 LYS CB C 27 30.731 30.731 30.904 -0.173 25660 8851 1 17 . 1 1 27 27 LYS H H 27 7.439 7.439 8.048 -0.609 25660 8852 1 17 . 1 1 28 28 THR HA H 28 4.017 4.017 4.393 -0.376 25660 8853 1 17 . 1 1 28 28 THR C C 28 174.931 174.931 174.227 0.704 25660 8854 1 17 . 1 1 28 28 THR CA C 28 67.083 67.083 63.280 3.803 25660 8855 1 17 . 1 1 28 28 THR CB C 28 69.766 69.766 69.444 0.323 25660 8856 1 17 . 1 1 29 29 GLY N N 29 106.150 106.150 107.910 -1.760 25660 8857 1 17 . 1 1 29 29 GLY C C 29 169.328 169.328 170.968 -1.640 25660 8858 1 17 . 1 1 29 29 GLY CA C 29 40.882 40.882 43.786 -2.904 25660 8859 1 17 . 1 1 29 29 GLY H H 29 7.548 7.548 7.210 0.338 25660 8860 1 17 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.344 -0.754 25660 8861 1 17 . 1 1 30 30 PRO CA C 30 60.269 60.269 62.084 -1.815 25660 8862 1 17 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.161 -2.142 25660 8863 1 17 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.407 -0.384 25660 8864 1 17 . 1 1 31 31 ASN C C 31 176.303 176.303 177.038 -0.735 25660 8865 1 17 . 1 1 31 31 ASN CA C 31 54.344 54.344 55.954 -1.610 25660 8866 1 17 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.796 0.989 25660 8867 1 17 . 1 1 31 31 ASN H H 31 10.198 10.198 8.593 1.605 25660 8868 1 17 . 1 1 32 32 LEU N N 32 121.653 121.653 113.799 7.854 25660 8869 1 17 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.786 0.081 25660 8870 1 17 . 1 1 32 32 LEU C C 32 174.533 174.533 175.172 -0.639 25660 8871 1 17 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.456 -2.169 25660 8872 1 17 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.054 1.466 25660 8873 1 17 . 1 1 32 32 LEU H H 32 7.889 7.889 8.047 -0.158 25660 8874 1 17 . 1 1 33 33 HIS N N 33 119.860 119.860 117.622 2.238 25660 8875 1 17 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.166 -0.459 25660 8876 1 17 . 1 1 33 33 HIS C C 33 176.992 176.992 175.905 1.087 25660 8877 1 17 . 1 1 33 33 HIS CA C 33 60.491 60.491 58.512 1.979 25660 8878 1 17 . 1 1 33 33 HIS CB C 33 28.223 28.223 30.010 -1.787 25660 8879 1 17 . 1 1 33 33 HIS H H 33 7.445 7.445 7.757 -0.312 25660 8880 1 17 . 1 1 34 34 GLY N N 34 114.645 114.645 113.960 0.685 25660 8881 1 17 . 1 1 34 34 GLY C C 34 174.473 174.473 174.299 0.174 25660 8882 1 17 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.891 -0.178 25660 8883 1 17 . 1 1 34 34 GLY H H 34 8.763 8.763 8.119 0.644 25660 8884 1 17 . 1 1 35 35 LEU N N 35 117.774 117.774 119.386 -1.612 25660 8885 1 17 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.084 -0.557 25660 8886 1 17 . 1 1 35 35 LEU C C 35 176.507 176.507 176.378 0.129 25660 8887 1 17 . 1 1 35 35 LEU CA C 35 57.459 57.459 56.915 0.544 25660 8888 1 17 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.401 1.407 25660 8889 1 17 . 1 1 35 35 LEU H H 35 7.010 7.010 7.222 -0.212 25660 8890 1 17 . 1 1 36 36 PHE N N 36 113.600 113.600 116.826 -3.226 25660 8891 1 17 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.497 -0.649 25660 8892 1 17 . 1 1 36 36 PHE C C 36 176.553 176.553 177.061 -0.508 25660 8893 1 17 . 1 1 36 36 PHE CA C 36 59.702 59.702 60.021 -0.319 25660 8894 1 17 . 1 1 36 36 PHE CB C 36 36.223 36.223 38.837 -2.614 25660 8895 1 17 . 1 1 36 36 PHE H H 36 8.694 8.694 7.764 0.930 25660 8896 1 17 . 1 1 37 37 GLY N N 37 112.857 112.857 112.457 0.400 25660 8897 1 17 . 1 1 37 37 GLY C C 37 173.382 173.382 173.756 -0.374 25660 8898 1 17 . 1 1 37 37 GLY CA C 37 44.455 44.455 45.008 -0.552 25660 8899 1 17 . 1 1 37 37 GLY H H 37 8.839 8.839 8.900 -0.061 25660 8900 1 17 . 1 1 38 38 ARG N N 38 124.035 124.035 117.839 6.196 25660 8901 1 17 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.869 -0.420 25660 8902 1 17 . 1 1 38 38 ARG C C 38 174.415 174.415 174.633 -0.218 25660 8903 1 17 . 1 1 38 38 ARG CA C 38 55.764 55.764 53.714 2.050 25660 8904 1 17 . 1 1 38 38 ARG CB C 38 32.411 32.411 33.000 -0.589 25660 8905 1 17 . 1 1 38 38 ARG H H 38 8.215 8.215 7.599 0.616 25660 8906 1 17 . 1 1 39 39 LYS N N 39 123.290 123.290 120.455 2.835 25660 8907 1 17 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.109 0.738 25660 8908 1 17 . 1 1 39 39 LYS C C 39 172.219 172.219 176.551 -4.332 25660 8909 1 17 . 1 1 39 39 LYS CA C 39 55.199 55.199 55.611 -0.412 25660 8910 1 17 . 1 1 39 39 LYS CB C 39 33.682 33.682 33.465 0.216 25660 8911 1 17 . 1 1 39 39 LYS H H 39 8.147 8.147 8.535 -0.388 25660 8912 1 17 . 1 1 40 40 THR N N 40 113.158 113.158 113.776 -0.618 25660 8913 1 17 . 1 1 40 40 THR HA H 40 4.463 4.463 4.518 -0.055 25660 8914 1 17 . 1 1 40 40 THR C C 40 175.638 175.638 175.213 0.425 25660 8915 1 17 . 1 1 40 40 THR CA C 40 61.920 61.920 61.898 0.022 25660 8916 1 17 . 1 1 40 40 THR CB C 40 68.539 68.539 70.361 -1.822 25660 8917 1 17 . 1 1 40 40 THR H H 40 7.804 7.804 8.165 -0.361 25660 8918 1 17 . 1 1 41 41 GLY N N 41 111.811 111.811 107.155 4.656 25660 8919 1 17 . 1 1 41 41 GLY C C 41 174.720 174.720 173.857 0.863 25660 8920 1 17 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.580 -0.171 25660 8921 1 17 . 1 1 41 41 GLY H H 41 9.040 9.040 8.920 0.120 25660 8922 1 17 . 1 1 42 42 GLN N N 42 117.180 117.180 113.730 3.450 25660 8923 1 17 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.375 -0.021 25660 8924 1 17 . 1 1 42 42 GLN C C 42 175.152 175.152 174.392 0.760 25660 8925 1 17 . 1 1 42 42 GLN CA C 42 54.615 54.615 54.820 -0.205 25660 8926 1 17 . 1 1 42 42 GLN CB C 42 28.977 28.977 29.553 -0.576 25660 8927 1 17 . 1 1 42 42 GLN H H 42 8.084 8.084 8.144 -0.060 25660 8928 1 17 . 1 1 43 43 ALA N N 43 125.825 125.825 125.557 0.268 25660 8929 1 17 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.513 0.023 25660 8930 1 17 . 1 1 43 43 ALA C C 43 175.308 175.308 176.949 -1.641 25660 8931 1 17 . 1 1 43 43 ALA CA C 43 49.991 49.991 50.597 -0.606 25660 8932 1 17 . 1 1 43 43 ALA CB C 43 18.488 18.488 18.517 -0.029 25660 8933 1 17 . 1 1 43 43 ALA H H 43 8.063 8.063 8.039 0.024 25660 8934 1 17 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.245 0.111 25660 8935 1 17 . 1 1 44 44 PRO C C 44 178.294 178.294 177.518 0.776 25660 8936 1 17 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.805 -1.349 25660 8937 1 17 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.883 -0.369 25660 8938 1 17 . 1 1 45 45 GLY N N 45 112.024 112.024 101.857 10.167 25660 8939 1 17 . 1 1 45 45 GLY C C 45 173.301 173.301 172.945 0.356 25660 8940 1 17 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.073 0.277 25660 8941 1 17 . 1 1 45 45 GLY H H 45 8.831 8.831 8.334 0.497 25660 8942 1 17 . 1 1 46 46 TYR N N 46 120.307 120.307 121.101 -0.794 25660 8943 1 17 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.573 -0.381 25660 8944 1 17 . 1 1 46 46 TYR C C 46 174.910 174.910 174.635 0.275 25660 8945 1 17 . 1 1 46 46 TYR CA C 46 57.515 57.515 57.699 -0.184 25660 8946 1 17 . 1 1 46 46 TYR CB C 46 39.539 39.539 39.464 0.075 25660 8947 1 17 . 1 1 46 46 TYR H H 46 7.661 7.661 7.871 -0.210 25660 8948 1 17 . 1 1 50 50 ALA N N 50 125.381 125.381 125.825 -0.444 25660 8949 1 17 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.364 -0.198 25660 8950 1 17 . 1 1 50 50 ALA C C 50 178.430 178.430 178.802 -0.372 25660 8951 1 17 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.568 0.245 25660 8952 1 17 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.164 -1.222 25660 8953 1 17 . 1 1 50 50 ALA H H 50 8.507 8.507 8.215 0.292 25660 8954 1 17 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.930 0.063 25660 8955 1 17 . 1 1 51 51 ALA C C 51 178.634 178.634 179.368 -0.734 25660 8956 1 17 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.877 -0.945 25660 8957 1 17 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.131 0.118 25660 8958 1 17 . 1 1 52 52 ASN N N 52 117.178 117.178 116.497 0.681 25660 8959 1 17 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.488 -0.159 25660 8960 1 17 . 1 1 52 52 ASN C C 52 176.255 176.255 177.440 -1.185 25660 8961 1 17 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.826 -0.057 25660 8962 1 17 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.410 0.843 25660 8963 1 17 . 1 1 52 52 ASN H H 52 8.286 8.286 8.063 0.223 25660 8964 1 17 . 1 1 53 53 LYS N N 53 120.164 120.164 119.583 0.581 25660 8965 1 17 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.047 -0.319 25660 8966 1 17 . 1 1 53 53 LYS C C 53 177.676 177.676 177.784 -0.108 25660 8967 1 17 . 1 1 53 53 LYS CA C 53 58.402 58.402 59.219 -0.817 25660 8968 1 17 . 1 1 53 53 LYS CB C 53 32.296 32.296 32.138 0.159 25660 8969 1 17 . 1 1 53 53 LYS H H 53 8.152 8.152 7.411 0.741 25660 8970 1 17 . 1 1 54 54 ASN N N 54 116.286 116.286 115.360 0.926 25660 8971 1 17 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.651 -0.262 25660 8972 1 17 . 1 1 54 54 ASN C C 54 175.501 175.501 177.178 -1.677 25660 8973 1 17 . 1 1 54 54 ASN CA C 54 53.488 53.488 55.146 -1.658 25660 8974 1 17 . 1 1 54 54 ASN CB C 54 38.101 38.101 39.554 -1.453 25660 8975 1 17 . 1 1 54 54 ASN H H 54 8.553 8.553 7.770 0.783 25660 8976 1 17 . 1 1 55 55 LYS N N 55 121.354 121.354 118.504 2.850 25660 8977 1 17 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.223 -0.191 25660 8978 1 17 . 1 1 55 55 LYS C C 55 177.422 177.422 177.398 0.024 25660 8979 1 17 . 1 1 55 55 LYS CA C 55 56.818 56.818 56.146 0.672 25660 8980 1 17 . 1 1 55 55 LYS CB C 55 31.536 31.536 32.540 -1.004 25660 8981 1 17 . 1 1 55 55 LYS H H 55 7.634 7.634 8.089 -0.455 25660 8982 1 17 . 1 1 56 56 GLY CA C 56 46.052 46.052 44.543 1.509 25660 8983 1 17 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.273 -0.231 25660 8984 1 17 . 1 1 57 57 ILE C C 57 173.923 173.923 176.848 -2.925 25660 8985 1 17 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.444 -0.823 25660 8986 1 17 . 1 1 57 57 ILE CB C 57 38.366 38.366 40.136 -1.770 25660 8987 1 17 . 1 1 58 58 ILE N N 58 121.053 121.053 117.462 3.591 25660 8988 1 17 . 1 1 58 58 ILE HA H 58 4.082 4.082 3.848 0.234 25660 8989 1 17 . 1 1 58 58 ILE C C 58 177.495 177.495 176.148 1.347 25660 8990 1 17 . 1 1 58 58 ILE CA C 58 58.867 58.867 61.733 -2.866 25660 8991 1 17 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.061 0.443 25660 8992 1 17 . 1 1 58 58 ILE H H 58 7.988 7.988 8.085 -0.097 25660 8993 1 17 . 1 1 59 59 TRP N N 59 130.896 130.896 124.109 6.787 25660 8994 1 17 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.579 0.250 25660 8995 1 17 . 1 1 59 59 TRP C C 59 175.793 175.793 176.581 -0.788 25660 8996 1 17 . 1 1 59 59 TRP CA C 59 57.229 57.229 57.176 0.053 25660 8997 1 17 . 1 1 59 59 TRP CB C 59 29.908 29.908 28.443 1.465 25660 8998 1 17 . 1 1 59 59 TRP H H 59 8.931 8.931 8.418 0.513 25660 8999 1 17 . 1 1 60 60 GLY N N 60 111.218 111.218 111.008 0.210 25660 9000 1 17 . 1 1 60 60 GLY C C 60 171.636 171.636 174.001 -2.365 25660 9001 1 17 . 1 1 60 60 GLY CA C 60 44.214 44.214 44.640 -0.426 25660 9002 1 17 . 1 1 60 60 GLY H H 60 7.839 7.839 8.988 -1.149 25660 9003 1 17 . 1 1 61 61 GLU N N 61 120.606 120.606 119.158 1.448 25660 9004 1 17 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.154 -0.296 25660 9005 1 17 . 1 1 61 61 GLU C C 61 177.011 177.011 178.184 -1.173 25660 9006 1 17 . 1 1 61 61 GLU CA C 61 62.088 62.088 59.794 2.294 25660 9007 1 17 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.742 -0.379 25660 9008 1 17 . 1 1 61 61 GLU H H 61 9.619 9.619 8.792 0.827 25660 9009 1 17 . 1 1 62 62 ASP N N 62 114.943 114.943 117.696 -2.753 25660 9010 1 17 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.516 -0.182 25660 9011 1 17 . 1 1 62 62 ASP C C 62 179.228 179.228 178.034 1.194 25660 9012 1 17 . 1 1 62 62 ASP CA C 62 57.208 57.208 57.171 0.037 25660 9013 1 17 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.036 -0.559 25660 9014 1 17 . 1 1 62 62 ASP H H 62 8.396 8.396 8.657 -0.261 25660 9015 1 17 . 1 1 63 63 THR N N 63 112.857 112.857 113.721 -0.864 25660 9016 1 17 . 1 1 63 63 THR HA H 63 4.116 4.116 4.168 -0.052 25660 9017 1 17 . 1 1 63 63 THR C C 63 177.971 177.971 176.650 1.321 25660 9018 1 17 . 1 1 63 63 THR CA C 63 63.601 63.601 64.790 -1.189 25660 9019 1 17 . 1 1 63 63 THR CB C 63 68.918 68.918 68.763 0.155 25660 9020 1 17 . 1 1 63 63 THR H H 63 8.246 8.246 7.966 0.280 25660 9021 1 17 . 1 1 64 64 LEU N N 64 121.355 121.355 122.579 -1.224 25660 9022 1 17 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.154 0.079 25660 9023 1 17 . 1 1 64 64 LEU C C 64 178.628 178.628 178.897 -0.269 25660 9024 1 17 . 1 1 64 64 LEU CA C 64 58.314 58.314 57.894 0.420 25660 9025 1 17 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.636 0.719 25660 9026 1 17 . 1 1 64 64 LEU H H 64 8.809 8.809 7.623 1.186 25660 9027 1 17 . 1 1 65 65 MET N N 65 118.519 118.519 118.735 -0.216 25660 9028 1 17 . 1 1 65 65 MET HA H 65 3.896 3.896 4.179 -0.283 25660 9029 1 17 . 1 1 65 65 MET C C 65 177.782 177.782 177.362 0.420 25660 9030 1 17 . 1 1 65 65 MET CA C 65 57.910 57.910 58.351 -0.441 25660 9031 1 17 . 1 1 65 65 MET CB C 65 31.019 31.019 32.404 -1.385 25660 9032 1 17 . 1 1 65 65 MET H H 65 7.934 7.934 7.748 0.186 25660 9033 1 17 . 1 1 66 66 GLU N N 66 117.027 117.027 119.214 -2.187 25660 9034 1 17 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.049 -0.091 25660 9035 1 17 . 1 1 66 66 GLU C C 66 178.928 178.928 178.725 0.203 25660 9036 1 17 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.112 -0.009 25660 9037 1 17 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.208 0.468 25660 9038 1 17 . 1 1 66 66 GLU H H 66 6.795 6.795 7.719 -0.924 25660 9039 1 17 . 1 1 67 67 TYR N N 67 120.608 120.608 122.087 -1.479 25660 9040 1 17 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.272 -0.771 25660 9041 1 17 . 1 1 67 67 TYR C C 67 176.312 176.312 177.270 -0.958 25660 9042 1 17 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.874 -1.963 25660 9043 1 17 . 1 1 67 67 TYR CB C 67 40.118 40.118 39.099 1.019 25660 9044 1 17 . 1 1 67 67 TYR H H 67 8.170 8.170 8.098 0.072 25660 9045 1 17 . 1 1 68 68 LEU N N 68 109.278 109.278 117.050 -7.772 25660 9046 1 17 . 1 1 68 68 LEU HA H 68 2.986 2.986 4.136 -1.150 25660 9047 1 17 . 1 1 68 68 LEU C C 68 176.652 176.652 178.877 -2.225 25660 9048 1 17 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.639 -1.429 25660 9049 1 17 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.678 -0.490 25660 9050 1 17 . 1 1 68 68 LEU H H 68 8.108 8.108 8.105 0.003 25660 9051 1 17 . 1 1 69 69 GLU N N 69 119.118 119.118 119.973 -0.855 25660 9052 1 17 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.272 -0.412 25660 9053 1 17 . 1 1 69 69 GLU C C 69 176.033 176.033 175.864 0.169 25660 9054 1 17 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.169 -0.643 25660 9055 1 17 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.549 -1.000 25660 9056 1 17 . 1 1 69 69 GLU H H 69 6.783 6.783 8.019 -1.236 25660 9057 1 17 . 1 1 70 70 ASN N N 70 105.553 105.553 111.502 -5.949 25660 9058 1 17 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.417 -1.286 25660 9059 1 17 . 1 1 70 70 ASN C C 70 172.247 172.247 172.881 -0.634 25660 9060 1 17 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.310 0.055 25660 9061 1 17 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.567 -1.770 25660 9062 1 17 . 1 1 70 70 ASN H H 70 6.092 6.092 7.624 -1.532 25660 9063 1 17 . 1 1 71 71 PRO HA H 71 3.517 3.517 4.006 -0.489 25660 9064 1 17 . 1 1 71 71 PRO C C 71 176.414 176.414 178.110 -1.696 25660 9065 1 17 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.328 0.344 25660 9066 1 17 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.797 -1.862 25660 9067 1 17 . 1 1 72 72 LYS N N 72 113.454 113.454 115.638 -2.184 25660 9068 1 17 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.182 -0.467 25660 9069 1 17 . 1 1 72 72 LYS C C 72 177.234 177.234 177.969 -0.735 25660 9070 1 17 . 1 1 72 72 LYS CA C 72 57.046 57.046 58.559 -1.514 25660 9071 1 17 . 1 1 72 72 LYS CB C 72 31.565 31.565 30.974 0.591 25660 9072 1 17 . 1 1 72 72 LYS H H 72 7.457 7.457 8.594 -1.137 25660 9073 1 17 . 1 1 73 73 LYS N N 73 118.522 118.522 118.076 0.446 25660 9074 1 17 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.151 -0.361 25660 9075 1 17 . 1 1 73 73 LYS C C 73 176.890 176.890 177.648 -0.758 25660 9076 1 17 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.426 -1.019 25660 9077 1 17 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.857 0.042 25660 9078 1 17 . 1 1 73 73 LYS H H 73 6.855 6.855 7.568 -0.713 25660 9079 1 17 . 1 1 74 74 TYR N N 74 118.674 118.674 118.175 0.499 25660 9080 1 17 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.362 -0.131 25660 9081 1 17 . 1 1 74 74 TYR C C 74 175.794 175.794 175.567 0.227 25660 9082 1 17 . 1 1 74 74 TYR CA C 74 60.721 60.721 60.174 0.547 25660 9083 1 17 . 1 1 74 74 TYR CB C 74 39.536 39.536 40.171 -0.635 25660 9084 1 17 . 1 1 74 74 TYR H H 74 7.219 7.219 7.627 -0.408 25660 9085 1 17 . 1 1 75 75 ILE N N 75 114.346 114.346 117.799 -3.453 25660 9086 1 17 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.416 -0.349 25660 9087 1 17 . 1 1 75 75 ILE C C 75 179.773 179.773 174.173 5.600 25660 9088 1 17 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.746 -0.272 25660 9089 1 17 . 1 1 75 75 ILE CB C 75 37.615 37.615 40.442 -2.827 25660 9090 1 17 . 1 1 75 75 ILE H H 75 8.189 8.189 8.334 -0.145 25660 9091 1 17 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.575 -0.098 25660 9092 1 17 . 1 1 76 76 PRO C C 76 178.583 178.583 176.556 2.027 25660 9093 1 17 . 1 1 76 76 PRO CA C 76 64.021 64.021 63.304 0.717 25660 9094 1 17 . 1 1 76 76 PRO CB C 76 31.137 31.137 30.284 0.853 25660 9095 1 17 . 1 1 77 77 GLY N N 77 108.831 108.831 108.432 0.399 25660 9096 1 17 . 1 1 77 77 GLY C C 77 174.866 174.866 173.074 1.792 25660 9097 1 17 . 1 1 77 77 GLY CA C 77 44.314 44.314 45.564 -1.250 25660 9098 1 17 . 1 1 77 77 GLY H H 77 8.563 8.563 7.752 0.811 25660 9099 1 17 . 1 1 78 78 THR N N 78 115.541 115.541 114.190 1.351 25660 9100 1 17 . 1 1 78 78 THR HA H 78 4.226 4.226 4.779 -0.553 25660 9101 1 17 . 1 1 78 78 THR C C 78 173.114 173.114 174.794 -1.680 25660 9102 1 17 . 1 1 78 78 THR CA C 78 61.759 61.759 59.858 1.901 25660 9103 1 17 . 1 1 78 78 THR CB C 78 67.910 67.910 70.784 -2.873 25660 9104 1 17 . 1 1 78 78 THR H H 78 7.922 7.922 7.862 0.060 25660 9105 1 17 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.332 0.049 25660 9106 1 17 . 1 1 79 79 LYS C C 79 175.845 175.845 177.174 -1.329 25660 9107 1 17 . 1 1 79 79 LYS CA C 79 55.526 55.526 56.877 -1.351 25660 9108 1 17 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.990 -0.687 25660 9109 1 17 . 1 1 80 80 MET N N 80 123.515 123.515 120.917 2.598 25660 9110 1 17 . 1 1 80 80 MET HA H 80 2.934 2.934 4.492 -1.558 25660 9111 1 17 . 1 1 80 80 MET C C 80 171.833 171.833 175.073 -3.240 25660 9112 1 17 . 1 1 80 80 MET CA C 80 55.863 55.863 55.719 0.144 25660 9113 1 17 . 1 1 80 80 MET CB C 80 27.552 27.552 32.786 -5.234 25660 9114 1 17 . 1 1 80 80 MET H H 80 7.384 7.384 7.510 -0.126 25660 9115 1 17 . 1 1 81 81 ILE N N 81 130.146 130.146 128.855 1.291 25660 9116 1 17 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.357 -0.872 25660 9117 1 17 . 1 1 81 81 ILE C C 81 173.220 173.220 175.231 -2.011 25660 9118 1 17 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.541 -1.256 25660 9119 1 17 . 1 1 81 81 ILE CB C 81 34.612 34.612 36.036 -1.424 25660 9120 1 17 . 1 1 81 81 ILE H H 81 7.856 7.856 8.633 -0.777 25660 9121 1 17 . 1 1 82 82 PHE N N 82 123.143 123.143 129.383 -6.240 25660 9122 1 17 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.832 -0.505 25660 9123 1 17 . 1 1 82 82 PHE C C 82 174.333 174.333 174.068 0.265 25660 9124 1 17 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.091 -0.513 25660 9125 1 17 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.528 -1.883 25660 9126 1 17 . 1 1 82 82 PHE H H 82 6.529 6.529 8.156 -1.627 25660 9127 1 17 . 1 1 83 83 VAL N N 83 125.079 125.079 125.814 -0.735 25660 9128 1 17 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.885 -0.599 25660 9129 1 17 . 1 1 83 83 VAL C C 83 174.444 174.444 175.874 -1.430 25660 9130 1 17 . 1 1 83 83 VAL CA C 83 64.273 64.273 63.589 0.684 25660 9131 1 17 . 1 1 83 83 VAL CB C 83 31.352 31.352 31.808 -0.456 25660 9132 1 17 . 1 1 83 83 VAL H H 83 7.739 7.739 8.055 -0.316 25660 9133 1 17 . 1 1 84 84 GLY C C 84 172.113 172.113 172.992 -0.879 25660 9134 1 17 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.815 -1.979 25660 9135 1 17 . 1 1 85 85 ILE N N 85 120.758 120.758 121.513 -0.755 25660 9136 1 17 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.461 -0.325 25660 9137 1 17 . 1 1 85 85 ILE C C 85 175.103 175.103 175.835 -0.732 25660 9138 1 17 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.422 -1.032 25660 9139 1 17 . 1 1 85 85 ILE CB C 85 39.528 39.528 38.295 1.232 25660 9140 1 17 . 1 1 85 85 ILE H H 85 8.327 8.327 8.522 -0.195 25660 9141 1 17 . 1 1 86 86 LYS N N 86 127.466 127.466 125.856 1.610 25660 9142 1 17 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.081 -0.109 25660 9143 1 17 . 1 1 86 86 LYS C C 86 178.442 178.442 177.066 1.376 25660 9144 1 17 . 1 1 86 86 LYS CA C 86 58.619 58.619 58.563 0.056 25660 9145 1 17 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.683 -0.340 25660 9146 1 17 . 1 1 86 86 LYS H H 86 8.518 8.518 8.640 -0.122 25660 9147 1 17 . 1 1 87 87 LYS N N 87 120.309 120.309 119.645 0.664 25660 9148 1 17 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.348 -0.101 25660 9149 1 17 . 1 1 87 87 LYS C C 87 177.569 177.569 177.455 0.114 25660 9150 1 17 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.158 1.707 25660 9151 1 17 . 1 1 87 87 LYS CB C 87 32.531 32.531 33.015 -0.484 25660 9152 1 17 . 1 1 87 87 LYS H H 87 8.368 8.368 8.106 0.262 25660 9153 1 17 . 1 1 88 88 LYS N N 88 129.999 129.999 125.015 4.984 25660 9154 1 17 . 1 1 88 88 LYS HA H 88 3.562 3.562 4.035 -0.473 25660 9155 1 17 . 1 1 88 88 LYS C C 88 177.664 177.664 178.579 -0.915 25660 9156 1 17 . 1 1 88 88 LYS CA C 88 60.314 60.314 60.058 0.256 25660 9157 1 17 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.832 -0.749 25660 9158 1 17 . 1 1 88 88 LYS H H 88 9.151 9.151 8.939 0.212 25660 9159 1 17 . 1 1 89 89 GLU N N 89 117.925 117.925 118.889 -0.964 25660 9160 1 17 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.077 -0.178 25660 9161 1 17 . 1 1 89 89 GLU C C 89 177.911 177.911 178.614 -0.703 25660 9162 1 17 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.462 0.298 25660 9163 1 17 . 1 1 89 89 GLU CB C 89 28.814 28.814 28.804 0.010 25660 9164 1 17 . 1 1 89 89 GLU H H 89 9.462 9.462 8.852 0.610 25660 9165 1 17 . 1 1 90 90 GLU N N 90 116.437 116.437 119.495 -3.058 25660 9166 1 17 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.072 0.126 25660 9167 1 17 . 1 1 90 90 GLU C C 90 178.730 178.730 179.096 -0.366 25660 9168 1 17 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.475 -1.198 25660 9169 1 17 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.398 0.592 25660 9170 1 17 . 1 1 90 90 GLU H H 90 6.347 6.347 8.493 -2.146 25660 9171 1 17 . 1 1 91 91 ARG N N 91 117.405 117.405 119.091 -1.686 25660 9172 1 17 . 1 1 91 91 ARG HA H 91 3.740 3.740 3.945 -0.205 25660 9173 1 17 . 1 1 91 91 ARG C C 91 177.430 177.430 178.572 -1.142 25660 9174 1 17 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.855 1.327 25660 9175 1 17 . 1 1 91 91 ARG CB C 91 31.106 31.106 30.187 0.919 25660 9176 1 17 . 1 1 91 91 ARG H H 91 7.423 7.423 7.798 -0.375 25660 9177 1 17 . 1 1 92 92 ALA N N 92 120.161 120.161 119.760 0.401 25660 9178 1 17 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.127 -0.157 25660 9179 1 17 . 1 1 92 92 ALA C C 92 181.044 181.044 179.053 1.991 25660 9180 1 17 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.998 0.283 25660 9181 1 17 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.481 -0.942 25660 9182 1 17 . 1 1 92 92 ALA H H 92 8.668 8.668 8.365 0.303 25660 9183 1 17 . 1 1 93 93 ASP N N 93 122.101 122.101 120.265 1.836 25660 9184 1 17 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.533 -0.325 25660 9185 1 17 . 1 1 93 93 ASP C C 93 177.634 177.634 178.174 -0.540 25660 9186 1 17 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.043 1.104 25660 9187 1 17 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.908 -1.356 25660 9188 1 17 . 1 1 93 93 ASP H H 93 8.153 8.153 7.572 0.581 25660 9189 1 17 . 1 1 94 94 LEU N N 94 121.208 121.208 122.724 -1.516 25660 9190 1 17 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.111 0.094 25660 9191 1 17 . 1 1 94 94 LEU C C 94 178.395 178.395 178.905 -0.510 25660 9192 1 17 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.124 0.171 25660 9193 1 17 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.224 -0.513 25660 9194 1 17 . 1 1 94 94 LEU H H 94 8.183 8.183 8.505 -0.322 25660 9195 1 17 . 1 1 95 95 ILE N N 95 120.159 120.159 118.066 2.093 25660 9196 1 17 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.689 -0.080 25660 9197 1 17 . 1 1 95 95 ILE C C 95 176.351 176.351 177.586 -1.235 25660 9198 1 17 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.248 0.974 25660 9199 1 17 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.516 0.152 25660 9200 1 17 . 1 1 95 95 ILE H H 95 8.974 8.974 8.465 0.509 25660 9201 1 17 . 1 1 96 96 ALA N N 96 123.001 123.001 122.590 0.411 25660 9202 1 17 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.980 0.046 25660 9203 1 17 . 1 1 96 96 ALA C C 96 180.700 180.700 179.306 1.394 25660 9204 1 17 . 1 1 96 96 ALA CA C 96 54.933 54.933 54.968 -0.035 25660 9205 1 17 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.197 -1.227 25660 9206 1 17 . 1 1 96 96 ALA H H 96 7.974 7.974 7.322 0.652 25660 9207 1 17 . 1 1 97 97 TYR N N 97 118.224 118.224 120.124 -1.900 25660 9208 1 17 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.090 0.107 25660 9209 1 17 . 1 1 97 97 TYR C C 97 176.278 176.278 177.496 -1.218 25660 9210 1 17 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.983 1.474 25660 9211 1 17 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.209 -1.266 25660 9212 1 17 . 1 1 97 97 TYR H H 97 8.089 8.089 7.960 0.129 25660 9213 1 17 . 1 1 98 98 LEU N N 98 119.118 119.118 118.251 0.867 25660 9214 1 17 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.370 -0.036 25660 9215 1 17 . 1 1 98 98 LEU C C 98 179.188 179.188 179.324 -0.136 25660 9216 1 17 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.745 -0.095 25660 9217 1 17 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.343 0.302 25660 9218 1 17 . 1 1 98 98 LEU H H 98 8.982 8.982 8.382 0.600 25660 9219 1 17 . 1 1 99 99 LYS N N 99 123.889 123.889 118.197 5.692 25660 9220 1 17 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.754 -1.205 25660 9221 1 17 . 1 1 99 99 LYS C C 99 176.653 176.653 177.630 -0.977 25660 9222 1 17 . 1 1 99 99 LYS CA C 99 59.190 59.190 58.717 0.473 25660 9223 1 17 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.980 -0.111 25660 9224 1 17 . 1 1 99 99 LYS H H 99 8.945 8.945 7.937 1.008 25660 9225 1 17 . 1 1 100 100 LYS N N 100 116.726 116.726 117.712 -0.986 25660 9226 1 17 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.240 -0.264 25660 9227 1 17 . 1 1 100 100 LYS C C 100 178.363 178.363 176.851 1.512 25660 9228 1 17 . 1 1 100 100 LYS CA C 100 57.655 57.655 56.313 1.342 25660 9229 1 17 . 1 1 100 100 LYS CB C 100 33.175 33.175 33.032 0.143 25660 9230 1 17 . 1 1 100 100 LYS H H 100 6.724 6.724 7.465 -0.741 25660 9231 1 17 . 1 1 101 101 ALA N N 101 119.416 119.416 118.293 1.123 25660 9232 1 17 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.571 -0.776 25660 9233 1 17 . 1 1 101 101 ALA C C 101 179.576 179.576 176.654 2.922 25660 9234 1 17 . 1 1 101 101 ALA CA C 101 54.401 54.401 52.507 1.894 25660 9235 1 17 . 1 1 101 101 ALA CB C 101 18.353 18.353 20.395 -2.042 25660 9236 1 17 . 1 1 101 101 ALA H H 101 8.539 8.539 7.581 0.958 25660 9237 1 17 . 1 1 102 102 THR N N 102 101.974 101.974 107.521 -5.547 25660 9238 1 17 . 1 1 102 102 THR HA H 102 4.157 4.157 3.635 0.522 25660 9239 1 17 . 1 1 102 102 THR C C 102 172.872 172.872 175.029 -2.157 25660 9240 1 17 . 1 1 102 102 THR CA C 102 61.954 61.954 61.855 0.099 25660 9241 1 17 . 1 1 102 102 THR CB C 102 69.403 69.403 69.637 -0.234 25660 9242 1 17 . 1 1 102 102 THR H H 102 7.810 7.810 7.984 -0.174 25660 9243 1 17 . 1 1 103 103 ASN N N 103 118.372 118.372 118.694 -0.322 25660 9244 1 17 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.689 0.078 25660 9245 1 17 . 1 1 103 103 ASN C C 103 173.663 173.663 175.040 -1.377 25660 9246 1 17 . 1 1 103 103 ASN CA C 103 52.469 52.469 52.515 -0.046 25660 9247 1 17 . 1 1 103 103 ASN CB C 103 41.376 41.376 37.980 3.396 25660 9248 1 17 . 1 1 103 103 ASN H H 103 6.968 6.968 8.182 -1.214 25660 9249 1 18 . 1 1 2 2 ASP N N 2 124.691 124.691 121.358 3.333 25660 9250 1 18 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.982 -0.207 25660 9251 1 18 . 1 1 2 2 ASP C C 2 175.662 175.662 175.885 -0.223 25660 9252 1 18 . 1 1 2 2 ASP CA C 2 52.772 52.772 51.976 0.796 25660 9253 1 18 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.165 -0.852 25660 9254 1 18 . 1 1 2 2 ASP H H 2 9.541 9.541 8.633 0.908 25660 9255 1 18 . 1 1 3 3 VAL N N 3 123.739 123.739 118.648 5.091 25660 9256 1 18 . 1 1 3 3 VAL HA H 3 3.550 3.550 4.017 -0.467 25660 9257 1 18 . 1 1 3 3 VAL C C 3 177.302 177.302 177.466 -0.164 25660 9258 1 18 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.563 0.383 25660 9259 1 18 . 1 1 3 3 VAL CB C 3 31.965 31.965 31.927 0.038 25660 9260 1 18 . 1 1 3 3 VAL H H 3 8.569 8.569 8.404 0.165 25660 9261 1 18 . 1 1 4 4 GLU N N 4 120.310 120.310 119.314 0.996 25660 9262 1 18 . 1 1 4 4 GLU HA H 4 4.008 4.008 4.126 -0.118 25660 9263 1 18 . 1 1 4 4 GLU C C 4 180.515 180.515 179.092 1.423 25660 9264 1 18 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.046 -0.083 25660 9265 1 18 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.438 -0.959 25660 9266 1 18 . 1 1 4 4 GLU H H 4 8.083 8.083 8.322 -0.239 25660 9267 1 18 . 1 1 5 5 LYS N N 5 121.058 121.058 118.722 2.336 25660 9268 1 18 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.202 -0.303 25660 9269 1 18 . 1 1 5 5 LYS C C 5 180.515 180.515 179.317 1.198 25660 9270 1 18 . 1 1 5 5 LYS CA C 5 59.459 59.459 57.865 1.594 25660 9271 1 18 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.193 0.261 25660 9272 1 18 . 1 1 5 5 LYS H H 5 8.096 8.096 8.108 -0.012 25660 9273 1 18 . 1 1 6 6 GLY N N 6 107.193 107.193 108.736 -1.543 25660 9274 1 18 . 1 1 6 6 GLY C C 6 174.012 174.012 175.744 -1.732 25660 9275 1 18 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.984 -0.505 25660 9276 1 18 . 1 1 6 6 GLY H H 6 8.709 8.709 8.212 0.497 25660 9277 1 18 . 1 1 7 7 LYS N N 7 124.124 124.124 120.763 3.361 25660 9278 1 18 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.342 -1.182 25660 9279 1 18 . 1 1 7 7 LYS C C 7 177.457 177.457 178.831 -1.374 25660 9280 1 18 . 1 1 7 7 LYS CA C 7 59.052 59.052 58.568 0.484 25660 9281 1 18 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.254 0.851 25660 9282 1 18 . 1 1 7 7 LYS H H 7 8.039 8.039 8.017 0.022 25660 9283 1 18 . 1 1 8 8 LYS N N 8 116.732 116.732 118.227 -1.495 25660 9284 1 18 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.079 -0.264 25660 9285 1 18 . 1 1 8 8 LYS C C 8 179.228 179.228 179.207 0.021 25660 9286 1 18 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.587 0.735 25660 9287 1 18 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.872 -0.057 25660 9288 1 18 . 1 1 8 8 LYS H H 8 6.958 6.958 7.553 -0.595 25660 9289 1 18 . 1 1 9 9 ILE N N 9 119.269 119.269 119.851 -0.582 25660 9290 1 18 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.930 -0.211 25660 9291 1 18 . 1 1 9 9 ILE C C 9 177.006 177.006 177.814 -0.808 25660 9292 1 18 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.322 2.783 25660 9293 1 18 . 1 1 9 9 ILE CB C 9 37.562 37.562 36.954 0.608 25660 9294 1 18 . 1 1 9 9 ILE H H 9 7.681 7.681 7.382 0.299 25660 9295 1 18 . 1 1 10 10 PHE N N 10 120.908 120.908 121.876 -0.968 25660 9296 1 18 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.271 -0.298 25660 9297 1 18 . 1 1 10 10 PHE C C 10 178.820 178.820 177.749 1.071 25660 9298 1 18 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.842 0.322 25660 9299 1 18 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.449 -0.072 25660 9300 1 18 . 1 1 10 10 PHE H H 10 8.635 8.635 7.694 0.941 25660 9301 1 18 . 1 1 11 11 ILE N N 11 121.053 121.053 118.636 2.417 25660 9302 1 18 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.685 -0.369 25660 9303 1 18 . 1 1 11 11 ILE C C 11 178.867 178.867 177.700 1.167 25660 9304 1 18 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.968 0.654 25660 9305 1 18 . 1 1 11 11 ILE CB C 11 37.617 37.617 38.030 -0.413 25660 9306 1 18 . 1 1 11 11 ILE H H 11 8.834 8.834 8.529 0.305 25660 9307 1 18 . 1 1 12 12 MET N N 12 117.328 117.328 117.747 -0.419 25660 9308 1 18 . 1 1 12 12 MET HA H 12 4.219 4.219 4.187 0.032 25660 9309 1 18 . 1 1 12 12 MET C C 12 177.972 177.972 177.448 0.524 25660 9310 1 18 . 1 1 12 12 MET CA C 12 58.560 58.560 58.123 0.437 25660 9311 1 18 . 1 1 12 12 MET CB C 12 33.675 33.675 33.208 0.467 25660 9312 1 18 . 1 1 12 12 MET H H 12 8.047 8.047 7.721 0.326 25660 9313 1 18 . 1 1 13 13 LYS N N 13 113.452 113.452 114.752 -1.300 25660 9314 1 18 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.453 0.482 25660 9315 1 18 . 1 1 13 13 LYS C C 13 177.353 177.353 177.160 0.193 25660 9316 1 18 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.828 -0.568 25660 9317 1 18 . 1 1 13 13 LYS CB C 13 35.199 35.199 35.113 0.086 25660 9318 1 18 . 1 1 13 13 LYS H H 13 9.016 9.016 8.044 0.972 25660 9319 1 18 . 1 1 14 14 CYS N N 14 115.390 115.390 117.716 -2.326 25660 9320 1 18 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.524 0.772 25660 9321 1 18 . 1 1 14 14 CYS C C 14 177.723 177.723 175.954 1.769 25660 9322 1 18 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.860 -5.741 25660 9323 1 18 . 1 1 14 14 CYS CB C 14 36.784 36.784 29.059 7.724 25660 9324 1 18 . 1 1 14 14 CYS H H 14 8.130 8.130 8.405 -0.275 25660 9325 1 18 . 1 1 15 15 SER N N 15 114.347 114.347 117.793 -3.446 25660 9326 1 18 . 1 1 15 15 SER HA H 15 3.768 3.768 3.865 -0.097 25660 9327 1 18 . 1 1 15 15 SER C C 15 174.272 174.272 176.788 -2.516 25660 9328 1 18 . 1 1 15 15 SER CA C 15 60.587 60.587 61.096 -0.509 25660 9329 1 18 . 1 1 15 15 SER CB C 15 62.483 62.483 63.021 -0.538 25660 9330 1 18 . 1 1 15 15 SER H H 15 7.297 7.297 8.005 -0.708 25660 9331 1 18 . 1 1 16 16 GLN N N 16 120.608 120.608 117.960 2.648 25660 9332 1 18 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.102 -0.193 25660 9333 1 18 . 1 1 16 16 GLN C C 16 176.559 176.559 175.519 1.040 25660 9334 1 18 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.868 0.070 25660 9335 1 18 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.052 -0.152 25660 9336 1 18 . 1 1 16 16 GLN H H 16 8.879 8.879 8.582 0.297 25660 9337 1 18 . 1 1 17 17 CYS N N 17 112.857 112.857 114.310 -1.453 25660 9338 1 18 . 1 1 17 17 CYS HA H 17 4.084 4.084 5.046 -0.962 25660 9339 1 18 . 1 1 17 17 CYS C C 17 171.419 171.419 172.691 -1.272 25660 9340 1 18 . 1 1 17 17 CYS CA C 17 53.967 53.967 57.658 -3.691 25660 9341 1 18 . 1 1 17 17 CYS CB C 17 38.172 38.172 28.095 10.077 25660 9342 1 18 . 1 1 17 17 CYS H H 17 6.805 6.805 7.738 -0.933 25660 9343 1 18 . 1 1 18 18 HIS N N 18 113.603 113.603 116.893 -3.290 25660 9344 1 18 . 1 1 18 18 HIS HA H 18 3.622 3.622 4.876 -1.254 25660 9345 1 18 . 1 1 18 18 HIS CA C 18 53.514 53.514 55.007 -1.493 25660 9346 1 18 . 1 1 18 18 HIS CB C 18 31.916 31.916 33.781 -1.865 25660 9347 1 18 . 1 1 18 18 HIS H H 18 6.223 6.223 7.068 -0.845 25660 9348 1 18 . 1 1 19 19 THR N N 19 109.280 109.280 115.863 -6.583 25660 9349 1 18 . 1 1 19 19 THR HA H 19 4.413 4.413 4.968 -0.555 25660 9350 1 18 . 1 1 19 19 THR C C 19 174.026 174.026 173.777 0.249 25660 9351 1 18 . 1 1 19 19 THR CA C 19 58.557 58.557 61.046 -2.489 25660 9352 1 18 . 1 1 19 19 THR CB C 19 71.176 71.176 72.424 -1.248 25660 9353 1 18 . 1 1 19 19 THR H H 19 7.636 7.636 8.233 -0.597 25660 9354 1 18 . 1 1 20 20 VAL N N 20 110.620 110.620 116.853 -6.233 25660 9355 1 18 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.591 -0.826 25660 9356 1 18 . 1 1 20 20 VAL C C 20 173.470 173.470 175.144 -1.674 25660 9357 1 18 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.626 0.168 25660 9358 1 18 . 1 1 20 20 VAL CB C 20 33.427 33.427 32.710 0.717 25660 9359 1 18 . 1 1 20 20 VAL H H 20 7.675 7.675 8.616 -0.941 25660 9360 1 18 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.303 -0.169 25660 9361 1 18 . 1 1 21 21 GLU C C 21 177.538 177.538 176.255 1.283 25660 9362 1 18 . 1 1 21 21 GLU CA C 21 56.452 56.452 55.626 0.826 25660 9363 1 18 . 1 1 21 21 GLU CB C 21 29.646 29.646 31.262 -1.616 25660 9364 1 18 . 1 1 22 22 LYS N N 22 126.123 126.123 123.112 3.011 25660 9365 1 18 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.881 -0.829 25660 9366 1 18 . 1 1 22 22 LYS C C 22 177.538 177.538 177.376 0.162 25660 9367 1 18 . 1 1 22 22 LYS CA C 22 57.749 57.749 57.308 0.441 25660 9368 1 18 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.662 -1.721 25660 9369 1 18 . 1 1 22 22 LYS H H 22 8.717 8.717 8.579 0.138 25660 9370 1 18 . 1 1 23 23 GLY N N 23 117.177 117.177 109.324 7.853 25660 9371 1 18 . 1 1 23 23 GLY C C 23 174.531 174.531 175.052 -0.521 25660 9372 1 18 . 1 1 23 23 GLY CA C 23 44.906 44.906 45.204 -0.298 25660 9373 1 18 . 1 1 23 23 GLY H H 23 9.078 9.078 8.551 0.527 25660 9374 1 18 . 1 1 24 24 GLY N N 24 107.042 107.042 109.386 -2.344 25660 9375 1 18 . 1 1 24 24 GLY C C 24 172.234 172.234 172.820 -0.586 25660 9376 1 18 . 1 1 24 24 GLY CA C 24 44.146 44.146 45.092 -0.946 25660 9377 1 18 . 1 1 24 24 GLY H H 24 7.730 7.730 7.762 -0.032 25660 9378 1 18 . 1 1 25 25 LYS N N 25 118.452 118.452 119.982 -1.530 25660 9379 1 18 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.767 -0.934 25660 9380 1 18 . 1 1 25 25 LYS C C 25 178.209 178.209 174.081 4.128 25660 9381 1 18 . 1 1 25 25 LYS CA C 25 55.712 55.712 55.176 0.536 25660 9382 1 18 . 1 1 25 25 LYS CB C 25 32.861 32.861 35.334 -2.473 25660 9383 1 18 . 1 1 25 25 LYS H H 25 8.222 8.222 8.115 0.107 25660 9384 1 18 . 1 1 26 26 HIS N N 26 122.465 122.465 120.017 2.448 25660 9385 1 18 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.837 -0.645 25660 9386 1 18 . 1 1 26 26 HIS C C 26 175.081 175.081 174.047 1.034 25660 9387 1 18 . 1 1 26 26 HIS CA C 26 55.813 55.813 56.047 -0.235 25660 9388 1 18 . 1 1 26 26 HIS CB C 26 30.173 30.173 33.228 -3.055 25660 9389 1 18 . 1 1 26 26 HIS H H 26 8.545 8.545 8.924 -0.379 25660 9390 1 18 . 1 1 27 27 LYS N N 27 126.571 126.571 118.766 7.805 25660 9391 1 18 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.398 -0.028 25660 9392 1 18 . 1 1 27 27 LYS C C 27 175.781 175.781 177.547 -1.766 25660 9393 1 18 . 1 1 27 27 LYS CA C 27 55.066 55.066 57.052 -1.986 25660 9394 1 18 . 1 1 27 27 LYS CB C 27 30.731 30.731 32.785 -2.054 25660 9395 1 18 . 1 1 27 27 LYS H H 27 7.439 7.439 6.713 0.726 25660 9396 1 18 . 1 1 28 28 THR HA H 28 4.017 4.017 4.271 -0.254 25660 9397 1 18 . 1 1 28 28 THR C C 28 174.931 174.931 174.967 -0.036 25660 9398 1 18 . 1 1 28 28 THR CA C 28 67.083 67.083 63.805 3.278 25660 9399 1 18 . 1 1 28 28 THR CB C 28 69.766 69.766 69.352 0.414 25660 9400 1 18 . 1 1 29 29 GLY N N 29 106.150 106.150 109.146 -2.996 25660 9401 1 18 . 1 1 29 29 GLY C C 29 169.328 169.328 171.525 -2.197 25660 9402 1 18 . 1 1 29 29 GLY CA C 29 40.882 40.882 43.168 -2.286 25660 9403 1 18 . 1 1 29 29 GLY H H 29 7.548 7.548 7.540 0.008 25660 9404 1 18 . 1 1 30 30 PRO HA H 30 3.590 3.590 3.874 -0.284 25660 9405 1 18 . 1 1 30 30 PRO CA C 30 60.269 60.269 62.157 -1.888 25660 9406 1 18 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.230 -2.210 25660 9407 1 18 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.741 -0.718 25660 9408 1 18 . 1 1 31 31 ASN C C 31 176.303 176.303 175.826 0.477 25660 9409 1 18 . 1 1 31 31 ASN CA C 31 54.344 54.344 53.845 0.499 25660 9410 1 18 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.990 0.795 25660 9411 1 18 . 1 1 31 31 ASN H H 31 10.198 10.198 7.601 2.597 25660 9412 1 18 . 1 1 32 32 LEU N N 32 121.653 121.653 124.302 -2.649 25660 9413 1 18 . 1 1 32 32 LEU HA H 32 3.867 3.867 4.312 -0.445 25660 9414 1 18 . 1 1 32 32 LEU C C 32 174.533 174.533 176.135 -1.602 25660 9415 1 18 . 1 1 32 32 LEU CA C 32 53.287 53.287 54.117 -0.830 25660 9416 1 18 . 1 1 32 32 LEU CB C 32 42.520 42.520 42.736 -0.215 25660 9417 1 18 . 1 1 32 32 LEU H H 32 7.889 7.889 8.519 -0.630 25660 9418 1 18 . 1 1 33 33 HIS N N 33 119.860 119.860 118.324 1.536 25660 9419 1 18 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.279 -0.572 25660 9420 1 18 . 1 1 33 33 HIS C C 33 176.992 176.992 176.014 0.978 25660 9421 1 18 . 1 1 33 33 HIS CA C 33 60.491 60.491 57.535 2.956 25660 9422 1 18 . 1 1 33 33 HIS CB C 33 28.223 28.223 29.612 -1.389 25660 9423 1 18 . 1 1 33 33 HIS H H 33 7.445 7.445 7.799 -0.354 25660 9424 1 18 . 1 1 34 34 GLY N N 34 114.645 114.645 114.663 -0.018 25660 9425 1 18 . 1 1 34 34 GLY C C 34 174.473 174.473 173.334 1.139 25660 9426 1 18 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.026 0.687 25660 9427 1 18 . 1 1 34 34 GLY H H 34 8.763 8.763 8.350 0.413 25660 9428 1 18 . 1 1 35 35 LEU N N 35 117.774 117.774 120.170 -2.396 25660 9429 1 18 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.393 -0.866 25660 9430 1 18 . 1 1 35 35 LEU C C 35 176.507 176.507 175.855 0.652 25660 9431 1 18 . 1 1 35 35 LEU CA C 35 57.459 57.459 55.158 2.301 25660 9432 1 18 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.679 1.129 25660 9433 1 18 . 1 1 35 35 LEU H H 35 7.010 7.010 8.238 -1.228 25660 9434 1 18 . 1 1 36 36 PHE N N 36 113.600 113.600 116.453 -2.853 25660 9435 1 18 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.457 -0.609 25660 9436 1 18 . 1 1 36 36 PHE C C 36 176.553 176.553 177.109 -0.556 25660 9437 1 18 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.035 0.667 25660 9438 1 18 . 1 1 36 36 PHE CB C 36 36.223 36.223 39.473 -3.250 25660 9439 1 18 . 1 1 36 36 PHE H H 36 8.694 8.694 7.626 1.068 25660 9440 1 18 . 1 1 37 37 GLY N N 37 112.857 112.857 110.473 2.384 25660 9441 1 18 . 1 1 37 37 GLY C C 37 173.382 173.382 173.558 -0.176 25660 9442 1 18 . 1 1 37 37 GLY CA C 37 44.455 44.455 45.266 -0.811 25660 9443 1 18 . 1 1 37 37 GLY H H 37 8.839 8.839 8.742 0.097 25660 9444 1 18 . 1 1 38 38 ARG N N 38 124.035 124.035 117.846 6.189 25660 9445 1 18 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.667 -0.218 25660 9446 1 18 . 1 1 38 38 ARG C C 38 174.415 174.415 174.970 -0.555 25660 9447 1 18 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.379 1.385 25660 9448 1 18 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.046 0.365 25660 9449 1 18 . 1 1 38 38 ARG H H 38 8.215 8.215 7.622 0.593 25660 9450 1 18 . 1 1 39 39 LYS N N 39 123.290 123.290 120.966 2.324 25660 9451 1 18 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.225 0.622 25660 9452 1 18 . 1 1 39 39 LYS C C 39 172.219 172.219 177.163 -4.944 25660 9453 1 18 . 1 1 39 39 LYS CA C 39 55.199 55.199 56.032 -0.833 25660 9454 1 18 . 1 1 39 39 LYS CB C 39 33.682 33.682 32.111 1.571 25660 9455 1 18 . 1 1 39 39 LYS H H 39 8.147 8.147 8.466 -0.319 25660 9456 1 18 . 1 1 40 40 THR N N 40 113.158 113.158 118.034 -4.876 25660 9457 1 18 . 1 1 40 40 THR HA H 40 4.463 4.463 4.223 0.240 25660 9458 1 18 . 1 1 40 40 THR C C 40 175.638 175.638 176.438 -0.800 25660 9459 1 18 . 1 1 40 40 THR CA C 40 61.920 61.920 64.492 -2.572 25660 9460 1 18 . 1 1 40 40 THR CB C 40 68.539 68.539 69.432 -0.893 25660 9461 1 18 . 1 1 40 40 THR H H 40 7.804 7.804 8.078 -0.274 25660 9462 1 18 . 1 1 41 41 GLY N N 41 111.811 111.811 114.983 -3.172 25660 9463 1 18 . 1 1 41 41 GLY C C 41 174.720 174.720 174.309 0.411 25660 9464 1 18 . 1 1 41 41 GLY CA C 41 46.409 46.409 45.883 0.526 25660 9465 1 18 . 1 1 41 41 GLY H H 41 9.040 9.040 8.523 0.517 25660 9466 1 18 . 1 1 42 42 GLN N N 42 117.180 117.180 124.286 -7.106 25660 9467 1 18 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.921 -0.567 25660 9468 1 18 . 1 1 42 42 GLN C C 42 175.152 175.152 175.609 -0.457 25660 9469 1 18 . 1 1 42 42 GLN CA C 42 54.615 54.615 54.289 0.326 25660 9470 1 18 . 1 1 42 42 GLN CB C 42 28.977 28.977 27.741 1.236 25660 9471 1 18 . 1 1 42 42 GLN H H 42 8.084 8.084 7.995 0.089 25660 9472 1 18 . 1 1 43 43 ALA N N 43 125.825 125.825 128.194 -2.369 25660 9473 1 18 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.778 -0.242 25660 9474 1 18 . 1 1 43 43 ALA C C 43 175.308 175.308 175.577 -0.269 25660 9475 1 18 . 1 1 43 43 ALA CA C 43 49.991 49.991 49.733 0.258 25660 9476 1 18 . 1 1 43 43 ALA CB C 43 18.488 18.488 18.985 -0.497 25660 9477 1 18 . 1 1 43 43 ALA H H 43 8.063 8.063 8.572 -0.509 25660 9478 1 18 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.313 0.043 25660 9479 1 18 . 1 1 44 44 PRO C C 44 178.294 178.294 177.462 0.832 25660 9480 1 18 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.648 -1.192 25660 9481 1 18 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.137 0.377 25660 9482 1 18 . 1 1 45 45 GLY N N 45 112.024 112.024 110.349 1.675 25660 9483 1 18 . 1 1 45 45 GLY C C 45 173.301 173.301 173.777 -0.476 25660 9484 1 18 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.255 0.095 25660 9485 1 18 . 1 1 45 45 GLY H H 45 8.831 8.831 8.634 0.197 25660 9486 1 18 . 1 1 46 46 TYR N N 46 120.307 120.307 120.260 0.047 25660 9487 1 18 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.809 -0.617 25660 9488 1 18 . 1 1 46 46 TYR C C 46 174.910 174.910 174.096 0.814 25660 9489 1 18 . 1 1 46 46 TYR CA C 46 57.515 57.515 57.035 0.480 25660 9490 1 18 . 1 1 46 46 TYR CB C 46 39.539 39.539 41.178 -1.639 25660 9491 1 18 . 1 1 46 46 TYR H H 46 7.661 7.661 7.974 -0.313 25660 9492 1 18 . 1 1 50 50 ALA N N 50 125.381 125.381 128.009 -2.628 25660 9493 1 18 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.174 -0.008 25660 9494 1 18 . 1 1 50 50 ALA C C 50 178.430 178.430 177.940 0.490 25660 9495 1 18 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.727 0.085 25660 9496 1 18 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.140 -1.198 25660 9497 1 18 . 1 1 50 50 ALA H H 50 8.507 8.507 8.547 -0.040 25660 9498 1 18 . 1 1 51 51 ALA HA H 51 3.993 3.993 4.010 -0.017 25660 9499 1 18 . 1 1 51 51 ALA C C 51 178.634 178.634 179.361 -0.727 25660 9500 1 18 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.988 -1.056 25660 9501 1 18 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.602 -0.353 25660 9502 1 18 . 1 1 52 52 ASN N N 52 117.178 117.178 115.621 1.557 25660 9503 1 18 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.690 -0.361 25660 9504 1 18 . 1 1 52 52 ASN C C 52 176.255 176.255 177.026 -0.771 25660 9505 1 18 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.336 0.433 25660 9506 1 18 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.277 0.976 25660 9507 1 18 . 1 1 52 52 ASN H H 52 8.286 8.286 7.923 0.363 25660 9508 1 18 . 1 1 53 53 LYS N N 53 120.164 120.164 117.895 2.269 25660 9509 1 18 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.161 -0.433 25660 9510 1 18 . 1 1 53 53 LYS C C 53 177.676 177.676 177.015 0.661 25660 9511 1 18 . 1 1 53 53 LYS CA C 53 58.402 58.402 57.791 0.611 25660 9512 1 18 . 1 1 53 53 LYS CB C 53 32.296 32.296 32.276 0.021 25660 9513 1 18 . 1 1 53 53 LYS H H 53 8.152 8.152 7.456 0.696 25660 9514 1 18 . 1 1 54 54 ASN N N 54 116.286 116.286 114.462 1.824 25660 9515 1 18 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.830 -0.441 25660 9516 1 18 . 1 1 54 54 ASN C C 54 175.501 175.501 174.490 1.011 25660 9517 1 18 . 1 1 54 54 ASN CA C 54 53.488 53.488 53.979 -0.491 25660 9518 1 18 . 1 1 54 54 ASN CB C 54 38.101 38.101 40.864 -2.763 25660 9519 1 18 . 1 1 54 54 ASN H H 54 8.553 8.553 7.762 0.791 25660 9520 1 18 . 1 1 55 55 LYS N N 55 121.354 121.354 121.678 -0.324 25660 9521 1 18 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.598 -0.566 25660 9522 1 18 . 1 1 55 55 LYS C C 55 177.422 177.422 174.668 2.754 25660 9523 1 18 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.663 1.155 25660 9524 1 18 . 1 1 55 55 LYS CB C 55 31.536 31.536 33.877 -2.341 25660 9525 1 18 . 1 1 55 55 LYS H H 55 7.634 7.634 8.237 -0.603 25660 9526 1 18 . 1 1 56 56 GLY CA C 56 46.052 46.052 45.143 0.909 25660 9527 1 18 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.220 -0.178 25660 9528 1 18 . 1 1 57 57 ILE C C 57 173.923 173.923 174.426 -0.503 25660 9529 1 18 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.646 -1.025 25660 9530 1 18 . 1 1 57 57 ILE CB C 57 38.366 38.366 39.729 -1.363 25660 9531 1 18 . 1 1 58 58 ILE N N 58 121.053 121.053 126.466 -5.413 25660 9532 1 18 . 1 1 58 58 ILE HA H 58 4.082 4.082 3.652 0.430 25660 9533 1 18 . 1 1 58 58 ILE C C 58 177.495 177.495 176.515 0.980 25660 9534 1 18 . 1 1 58 58 ILE CA C 58 58.867 58.867 61.275 -2.408 25660 9535 1 18 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.078 0.426 25660 9536 1 18 . 1 1 58 58 ILE H H 58 7.988 7.988 8.306 -0.318 25660 9537 1 18 . 1 1 59 59 TRP N N 59 130.896 130.896 129.786 1.110 25660 9538 1 18 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.365 0.464 25660 9539 1 18 . 1 1 59 59 TRP C C 59 175.793 175.793 175.906 -0.113 25660 9540 1 18 . 1 1 59 59 TRP CA C 59 57.229 57.229 57.335 -0.106 25660 9541 1 18 . 1 1 59 59 TRP CB C 59 29.908 29.908 29.373 0.535 25660 9542 1 18 . 1 1 59 59 TRP H H 59 8.931 8.931 8.190 0.741 25660 9543 1 18 . 1 1 60 60 GLY N N 60 111.218 111.218 110.234 0.984 25660 9544 1 18 . 1 1 60 60 GLY C C 60 171.636 171.636 173.919 -2.283 25660 9545 1 18 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.752 -1.538 25660 9546 1 18 . 1 1 60 60 GLY H H 60 7.839 7.839 8.113 -0.274 25660 9547 1 18 . 1 1 61 61 GLU N N 61 120.606 120.606 118.875 1.731 25660 9548 1 18 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.109 -0.251 25660 9549 1 18 . 1 1 61 61 GLU C C 61 177.011 177.011 178.198 -1.187 25660 9550 1 18 . 1 1 61 61 GLU CA C 61 62.088 62.088 59.544 2.544 25660 9551 1 18 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.977 -0.613 25660 9552 1 18 . 1 1 61 61 GLU H H 61 9.619 9.619 8.714 0.905 25660 9553 1 18 . 1 1 62 62 ASP N N 62 114.943 114.943 117.912 -2.969 25660 9554 1 18 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.578 -0.244 25660 9555 1 18 . 1 1 62 62 ASP C C 62 179.228 179.228 177.995 1.233 25660 9556 1 18 . 1 1 62 62 ASP CA C 62 57.208 57.208 57.124 0.084 25660 9557 1 18 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.636 -1.159 25660 9558 1 18 . 1 1 62 62 ASP H H 62 8.396 8.396 8.508 -0.112 25660 9559 1 18 . 1 1 63 63 THR N N 63 112.857 112.857 112.143 0.714 25660 9560 1 18 . 1 1 63 63 THR HA H 63 4.116 4.116 4.380 -0.264 25660 9561 1 18 . 1 1 63 63 THR C C 63 177.971 177.971 176.289 1.682 25660 9562 1 18 . 1 1 63 63 THR CA C 63 63.601 63.601 64.856 -1.254 25660 9563 1 18 . 1 1 63 63 THR CB C 63 68.918 68.918 68.711 0.207 25660 9564 1 18 . 1 1 63 63 THR H H 63 8.246 8.246 8.235 0.011 25660 9565 1 18 . 1 1 64 64 LEU N N 64 121.355 121.355 122.449 -1.094 25660 9566 1 18 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.311 -0.078 25660 9567 1 18 . 1 1 64 64 LEU C C 64 178.628 178.628 178.739 -0.111 25660 9568 1 18 . 1 1 64 64 LEU CA C 64 58.314 58.314 57.530 0.784 25660 9569 1 18 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.704 0.651 25660 9570 1 18 . 1 1 64 64 LEU H H 64 8.809 8.809 7.551 1.258 25660 9571 1 18 . 1 1 65 65 MET N N 65 118.519 118.519 119.773 -1.254 25660 9572 1 18 . 1 1 65 65 MET HA H 65 3.896 3.896 4.188 -0.292 25660 9573 1 18 . 1 1 65 65 MET C C 65 177.782 177.782 177.684 0.098 25660 9574 1 18 . 1 1 65 65 MET CA C 65 57.910 57.910 58.347 -0.437 25660 9575 1 18 . 1 1 65 65 MET CB C 65 31.019 31.019 32.357 -1.338 25660 9576 1 18 . 1 1 65 65 MET H H 65 7.934 7.934 8.098 -0.164 25660 9577 1 18 . 1 1 66 66 GLU N N 66 117.027 117.027 119.602 -2.575 25660 9578 1 18 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.102 -0.144 25660 9579 1 18 . 1 1 66 66 GLU C C 66 178.928 178.928 178.939 -0.011 25660 9580 1 18 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.874 -0.771 25660 9581 1 18 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.227 0.449 25660 9582 1 18 . 1 1 66 66 GLU H H 66 6.795 6.795 8.136 -1.341 25660 9583 1 18 . 1 1 67 67 TYR N N 67 120.608 120.608 122.542 -1.934 25660 9584 1 18 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.369 -0.868 25660 9585 1 18 . 1 1 67 67 TYR C C 67 176.312 176.312 177.924 -1.612 25660 9586 1 18 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.609 -1.698 25660 9587 1 18 . 1 1 67 67 TYR CB C 67 40.118 40.118 39.035 1.083 25660 9588 1 18 . 1 1 67 67 TYR H H 67 8.170 8.170 7.938 0.232 25660 9589 1 18 . 1 1 68 68 LEU N N 68 109.278 109.278 118.478 -9.200 25660 9590 1 18 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.862 -0.876 25660 9591 1 18 . 1 1 68 68 LEU C C 68 176.652 176.652 178.674 -2.022 25660 9592 1 18 . 1 1 68 68 LEU CA C 68 55.211 55.211 57.413 -2.201 25660 9593 1 18 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.512 -0.324 25660 9594 1 18 . 1 1 68 68 LEU H H 68 8.108 8.108 8.792 -0.684 25660 9595 1 18 . 1 1 69 69 GLU N N 69 119.118 119.118 119.726 -0.608 25660 9596 1 18 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.377 -0.517 25660 9597 1 18 . 1 1 69 69 GLU C C 69 176.033 176.033 176.187 -0.154 25660 9598 1 18 . 1 1 69 69 GLU CA C 69 58.526 58.526 58.964 -0.438 25660 9599 1 18 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.568 -1.019 25660 9600 1 18 . 1 1 69 69 GLU H H 69 6.783 6.783 8.107 -1.324 25660 9601 1 18 . 1 1 70 70 ASN N N 70 105.553 105.553 111.693 -6.140 25660 9602 1 18 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.339 -1.208 25660 9603 1 18 . 1 1 70 70 ASN C C 70 172.247 172.247 173.171 -0.924 25660 9604 1 18 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.300 0.065 25660 9605 1 18 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.531 -1.734 25660 9606 1 18 . 1 1 70 70 ASN H H 70 6.092 6.092 7.661 -1.569 25660 9607 1 18 . 1 1 71 71 PRO HA H 71 3.517 3.517 4.118 -0.601 25660 9608 1 18 . 1 1 71 71 PRO C C 71 176.414 176.414 177.943 -1.529 25660 9609 1 18 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.092 0.580 25660 9610 1 18 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.739 -1.804 25660 9611 1 18 . 1 1 72 72 LYS N N 72 113.454 113.454 117.906 -4.452 25660 9612 1 18 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.136 -0.421 25660 9613 1 18 . 1 1 72 72 LYS C C 72 177.234 177.234 177.893 -0.659 25660 9614 1 18 . 1 1 72 72 LYS CA C 72 57.046 57.046 58.441 -1.395 25660 9615 1 18 . 1 1 72 72 LYS CB C 72 31.565 31.565 30.783 0.782 25660 9616 1 18 . 1 1 72 72 LYS H H 72 7.457 7.457 8.522 -1.065 25660 9617 1 18 . 1 1 73 73 LYS N N 73 118.522 118.522 117.427 1.095 25660 9618 1 18 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.158 -0.368 25660 9619 1 18 . 1 1 73 73 LYS C C 73 176.890 176.890 177.206 -0.316 25660 9620 1 18 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.569 -1.162 25660 9621 1 18 . 1 1 73 73 LYS CB C 73 32.899 32.899 33.116 -0.217 25660 9622 1 18 . 1 1 73 73 LYS H H 73 6.855 6.855 7.670 -0.815 25660 9623 1 18 . 1 1 74 74 TYR N N 74 118.674 118.674 116.543 2.131 25660 9624 1 18 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.620 -0.389 25660 9625 1 18 . 1 1 74 74 TYR C C 74 175.794 175.794 174.780 1.014 25660 9626 1 18 . 1 1 74 74 TYR CA C 74 60.721 60.721 59.327 1.394 25660 9627 1 18 . 1 1 74 74 TYR CB C 74 39.536 39.536 43.151 -3.615 25660 9628 1 18 . 1 1 74 74 TYR H H 74 7.219 7.219 7.894 -0.675 25660 9629 1 18 . 1 1 75 75 ILE N N 75 114.346 114.346 120.251 -5.905 25660 9630 1 18 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.655 -0.588 25660 9631 1 18 . 1 1 75 75 ILE C C 75 179.773 179.773 174.047 5.726 25660 9632 1 18 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.678 -0.204 25660 9633 1 18 . 1 1 75 75 ILE CB C 75 37.615 37.615 38.849 -1.234 25660 9634 1 18 . 1 1 75 75 ILE H H 75 8.189 8.189 8.294 -0.105 25660 9635 1 18 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.469 0.008 25660 9636 1 18 . 1 1 76 76 PRO C C 76 178.583 178.583 177.853 0.730 25660 9637 1 18 . 1 1 76 76 PRO CA C 76 64.021 64.021 63.461 0.560 25660 9638 1 18 . 1 1 76 76 PRO CB C 76 31.137 31.137 32.131 -0.994 25660 9639 1 18 . 1 1 77 77 GLY N N 77 108.831 108.831 110.489 -1.658 25660 9640 1 18 . 1 1 77 77 GLY C C 77 174.866 174.866 174.423 0.443 25660 9641 1 18 . 1 1 77 77 GLY CA C 77 44.314 44.314 44.522 -0.208 25660 9642 1 18 . 1 1 77 77 GLY H H 77 8.563 8.563 8.059 0.504 25660 9643 1 18 . 1 1 78 78 THR N N 78 115.541 115.541 113.150 2.391 25660 9644 1 18 . 1 1 78 78 THR HA H 78 4.226 4.226 4.083 0.143 25660 9645 1 18 . 1 1 78 78 THR C C 78 173.114 173.114 175.212 -2.098 25660 9646 1 18 . 1 1 78 78 THR CA C 78 61.759 61.759 62.386 -0.628 25660 9647 1 18 . 1 1 78 78 THR CB C 78 67.910 67.910 69.821 -1.911 25660 9648 1 18 . 1 1 78 78 THR H H 78 7.922 7.922 8.290 -0.368 25660 9649 1 18 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.324 0.057 25660 9650 1 18 . 1 1 79 79 LYS C C 79 175.845 175.845 176.790 -0.945 25660 9651 1 18 . 1 1 79 79 LYS CA C 79 55.526 55.526 56.424 -0.898 25660 9652 1 18 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.690 -0.387 25660 9653 1 18 . 1 1 80 80 MET N N 80 123.515 123.515 122.918 0.597 25660 9654 1 18 . 1 1 80 80 MET HA H 80 2.934 2.934 4.360 -1.426 25660 9655 1 18 . 1 1 80 80 MET C C 80 171.833 171.833 175.295 -3.462 25660 9656 1 18 . 1 1 80 80 MET CA C 80 55.863 55.863 55.858 0.005 25660 9657 1 18 . 1 1 80 80 MET CB C 80 27.552 27.552 32.612 -5.060 25660 9658 1 18 . 1 1 80 80 MET H H 80 7.384 7.384 7.942 -0.558 25660 9659 1 18 . 1 1 81 81 ILE N N 81 130.146 130.146 129.143 1.003 25660 9660 1 18 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.191 -0.706 25660 9661 1 18 . 1 1 81 81 ILE C C 81 173.220 173.220 175.304 -2.084 25660 9662 1 18 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.835 -1.550 25660 9663 1 18 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.078 -0.466 25660 9664 1 18 . 1 1 81 81 ILE H H 81 7.856 7.856 8.553 -0.697 25660 9665 1 18 . 1 1 82 82 PHE N N 82 123.143 123.143 126.904 -3.761 25660 9666 1 18 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.813 -0.486 25660 9667 1 18 . 1 1 82 82 PHE C C 82 174.333 174.333 173.943 0.390 25660 9668 1 18 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.618 -1.040 25660 9669 1 18 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.999 -2.355 25660 9670 1 18 . 1 1 82 82 PHE H H 82 6.529 6.529 7.959 -1.430 25660 9671 1 18 . 1 1 83 83 VAL N N 83 125.079 125.079 124.447 0.632 25660 9672 1 18 . 1 1 83 83 VAL HA H 83 3.286 3.286 4.202 -0.916 25660 9673 1 18 . 1 1 83 83 VAL C C 83 174.444 174.444 174.981 -0.537 25660 9674 1 18 . 1 1 83 83 VAL CA C 83 64.273 64.273 61.772 2.501 25660 9675 1 18 . 1 1 83 83 VAL CB C 83 31.352 31.352 32.866 -1.514 25660 9676 1 18 . 1 1 83 83 VAL H H 83 7.739 7.739 7.772 -0.033 25660 9677 1 18 . 1 1 84 84 GLY C C 84 172.113 172.113 173.001 -0.888 25660 9678 1 18 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.424 -1.588 25660 9679 1 18 . 1 1 85 85 ILE N N 85 120.758 120.758 122.049 -1.291 25660 9680 1 18 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.357 -0.221 25660 9681 1 18 . 1 1 85 85 ILE C C 85 175.103 175.103 176.577 -1.474 25660 9682 1 18 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.084 -0.694 25660 9683 1 18 . 1 1 85 85 ILE CB C 85 39.528 39.528 39.570 -0.042 25660 9684 1 18 . 1 1 85 85 ILE H H 85 8.327 8.327 8.677 -0.350 25660 9685 1 18 . 1 1 86 86 LYS N N 86 127.466 127.466 127.276 0.190 25660 9686 1 18 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.155 -0.183 25660 9687 1 18 . 1 1 86 86 LYS C C 86 178.442 178.442 177.464 0.978 25660 9688 1 18 . 1 1 86 86 LYS CA C 86 58.619 58.619 58.308 0.311 25660 9689 1 18 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.306 0.037 25660 9690 1 18 . 1 1 86 86 LYS H H 86 8.518 8.518 8.738 -0.220 25660 9691 1 18 . 1 1 87 87 LYS N N 87 120.309 120.309 120.881 -0.572 25660 9692 1 18 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.208 0.039 25660 9693 1 18 . 1 1 87 87 LYS C C 87 177.569 177.569 177.980 -0.411 25660 9694 1 18 . 1 1 87 87 LYS CA C 87 56.865 56.865 56.231 0.634 25660 9695 1 18 . 1 1 87 87 LYS CB C 87 32.531 32.531 32.109 0.422 25660 9696 1 18 . 1 1 87 87 LYS H H 87 8.368 8.368 8.383 -0.015 25660 9697 1 18 . 1 1 88 88 LYS N N 88 129.999 129.999 125.538 4.461 25660 9698 1 18 . 1 1 88 88 LYS HA H 88 3.562 3.562 4.145 -0.583 25660 9699 1 18 . 1 1 88 88 LYS C C 88 177.664 177.664 177.931 -0.267 25660 9700 1 18 . 1 1 88 88 LYS CA C 88 60.314 60.314 58.735 1.579 25660 9701 1 18 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.474 -0.391 25660 9702 1 18 . 1 1 88 88 LYS H H 88 9.151 9.151 8.664 0.487 25660 9703 1 18 . 1 1 89 89 GLU N N 89 117.925 117.925 120.355 -2.430 25660 9704 1 18 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.130 -0.231 25660 9705 1 18 . 1 1 89 89 GLU C C 89 177.911 177.911 178.526 -0.615 25660 9706 1 18 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.265 0.495 25660 9707 1 18 . 1 1 89 89 GLU CB C 89 28.814 28.814 28.603 0.211 25660 9708 1 18 . 1 1 89 89 GLU H H 89 9.462 9.462 8.820 0.642 25660 9709 1 18 . 1 1 90 90 GLU N N 90 116.437 116.437 119.168 -2.731 25660 9710 1 18 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.124 0.074 25660 9711 1 18 . 1 1 90 90 GLU C C 90 178.730 178.730 179.355 -0.625 25660 9712 1 18 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.341 -1.064 25660 9713 1 18 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.046 0.944 25660 9714 1 18 . 1 1 90 90 GLU H H 90 6.347 6.347 8.621 -2.274 25660 9715 1 18 . 1 1 91 91 ARG N N 91 117.405 117.405 118.680 -1.275 25660 9716 1 18 . 1 1 91 91 ARG HA H 91 3.740 3.740 3.981 -0.241 25660 9717 1 18 . 1 1 91 91 ARG C C 91 177.430 177.430 178.467 -1.037 25660 9718 1 18 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.771 1.411 25660 9719 1 18 . 1 1 91 91 ARG CB C 91 31.106 31.106 30.104 1.002 25660 9720 1 18 . 1 1 91 91 ARG H H 91 7.423 7.423 7.714 -0.291 25660 9721 1 18 . 1 1 92 92 ALA N N 92 120.161 120.161 121.606 -1.445 25660 9722 1 18 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.202 -0.232 25660 9723 1 18 . 1 1 92 92 ALA C C 92 181.044 181.044 179.707 1.337 25660 9724 1 18 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.861 0.420 25660 9725 1 18 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.086 -0.547 25660 9726 1 18 . 1 1 92 92 ALA H H 92 8.668 8.668 7.739 0.929 25660 9727 1 18 . 1 1 93 93 ASP N N 93 122.101 122.101 120.594 1.507 25660 9728 1 18 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.612 -0.404 25660 9729 1 18 . 1 1 93 93 ASP C C 93 177.634 177.634 178.431 -0.797 25660 9730 1 18 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.696 0.451 25660 9731 1 18 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.739 -1.187 25660 9732 1 18 . 1 1 93 93 ASP H H 93 8.153 8.153 7.736 0.417 25660 9733 1 18 . 1 1 94 94 LEU N N 94 121.208 121.208 122.247 -1.039 25660 9734 1 18 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.110 0.095 25660 9735 1 18 . 1 1 94 94 LEU C C 94 178.395 178.395 178.996 -0.601 25660 9736 1 18 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.133 0.162 25660 9737 1 18 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.223 -0.512 25660 9738 1 18 . 1 1 94 94 LEU H H 94 8.183 8.183 8.106 0.077 25660 9739 1 18 . 1 1 95 95 ILE N N 95 120.159 120.159 118.199 1.960 25660 9740 1 18 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.594 0.015 25660 9741 1 18 . 1 1 95 95 ILE C C 95 176.351 176.351 177.577 -1.226 25660 9742 1 18 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.488 0.734 25660 9743 1 18 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.679 -0.011 25660 9744 1 18 . 1 1 95 95 ILE H H 95 8.974 8.974 8.507 0.467 25660 9745 1 18 . 1 1 96 96 ALA N N 96 123.001 123.001 122.577 0.424 25660 9746 1 18 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.975 0.051 25660 9747 1 18 . 1 1 96 96 ALA C C 96 180.700 180.700 179.428 1.272 25660 9748 1 18 . 1 1 96 96 ALA CA C 96 54.933 54.933 55.073 -0.140 25660 9749 1 18 . 1 1 96 96 ALA CB C 96 16.970 16.970 17.915 -0.945 25660 9750 1 18 . 1 1 96 96 ALA H H 96 7.974 7.974 7.496 0.478 25660 9751 1 18 . 1 1 97 97 TYR N N 97 118.224 118.224 120.167 -1.943 25660 9752 1 18 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.074 0.123 25660 9753 1 18 . 1 1 97 97 TYR C C 97 176.278 176.278 177.411 -1.133 25660 9754 1 18 . 1 1 97 97 TYR CA C 97 61.456 61.456 60.108 1.348 25660 9755 1 18 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.179 -1.236 25660 9756 1 18 . 1 1 97 97 TYR H H 97 8.089 8.089 8.111 -0.022 25660 9757 1 18 . 1 1 98 98 LEU N N 98 119.118 119.118 118.536 0.582 25660 9758 1 18 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.189 0.145 25660 9759 1 18 . 1 1 98 98 LEU C C 98 179.188 179.188 179.136 0.052 25660 9760 1 18 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.823 -0.173 25660 9761 1 18 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.370 0.275 25660 9762 1 18 . 1 1 98 98 LEU H H 98 8.982 8.982 8.490 0.492 25660 9763 1 18 . 1 1 99 99 LYS N N 99 123.889 123.889 119.390 4.499 25660 9764 1 18 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.446 -0.897 25660 9765 1 18 . 1 1 99 99 LYS C C 99 176.653 176.653 178.925 -2.272 25660 9766 1 18 . 1 1 99 99 LYS CA C 99 59.190 59.190 59.379 -0.189 25660 9767 1 18 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.852 0.017 25660 9768 1 18 . 1 1 99 99 LYS H H 99 8.945 8.945 8.104 0.841 25660 9769 1 18 . 1 1 100 100 LYS N N 100 116.726 116.726 118.800 -2.074 25660 9770 1 18 . 1 1 100 100 LYS HA H 100 3.976 3.976 3.987 -0.011 25660 9771 1 18 . 1 1 100 100 LYS C C 100 178.363 178.363 177.387 0.976 25660 9772 1 18 . 1 1 100 100 LYS CA C 100 57.655 57.655 58.180 -0.525 25660 9773 1 18 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.316 0.859 25660 9774 1 18 . 1 1 100 100 LYS H H 100 6.724 6.724 7.525 -0.801 25660 9775 1 18 . 1 1 101 101 ALA N N 101 119.416 119.416 116.962 2.454 25660 9776 1 18 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.577 -0.782 25660 9777 1 18 . 1 1 101 101 ALA C C 101 179.576 179.576 179.146 0.430 25660 9778 1 18 . 1 1 101 101 ALA CA C 101 54.401 54.401 53.258 1.143 25660 9779 1 18 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.616 -1.262 25660 9780 1 18 . 1 1 101 101 ALA H H 101 8.539 8.539 7.684 0.855 25660 9781 1 18 . 1 1 102 102 THR N N 102 101.974 101.974 109.015 -7.041 25660 9782 1 18 . 1 1 102 102 THR HA H 102 4.157 4.157 4.229 -0.072 25660 9783 1 18 . 1 1 102 102 THR C C 102 172.872 172.872 175.067 -2.195 25660 9784 1 18 . 1 1 102 102 THR CA C 102 61.954 61.954 63.262 -1.308 25660 9785 1 18 . 1 1 102 102 THR CB C 102 69.403 69.403 69.684 -0.281 25660 9786 1 18 . 1 1 102 102 THR H H 102 7.810 7.810 8.082 -0.272 25660 9787 1 18 . 1 1 103 103 ASN N N 103 118.372 118.372 118.783 -0.411 25660 9788 1 18 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.758 0.009 25660 9789 1 18 . 1 1 103 103 ASN C C 103 173.663 173.663 175.168 -1.505 25660 9790 1 18 . 1 1 103 103 ASN CA C 103 52.469 52.469 53.012 -0.543 25660 9791 1 18 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.791 2.586 25660 9792 1 18 . 1 1 103 103 ASN H H 103 6.968 6.968 7.723 -0.755 25660 9793 1 19 . 1 1 2 2 ASP N N 2 124.691 124.691 117.957 6.734 25660 9794 1 19 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.897 -0.122 25660 9795 1 19 . 1 1 2 2 ASP C C 2 175.662 175.662 175.910 -0.248 25660 9796 1 19 . 1 1 2 2 ASP CA C 2 52.772 52.772 53.057 -0.285 25660 9797 1 19 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.178 -0.865 25660 9798 1 19 . 1 1 2 2 ASP H H 2 9.541 9.541 9.006 0.535 25660 9799 1 19 . 1 1 3 3 VAL N N 3 123.739 123.739 118.538 5.201 25660 9800 1 19 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.967 -0.417 25660 9801 1 19 . 1 1 3 3 VAL C C 3 177.302 177.302 177.382 -0.080 25660 9802 1 19 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.449 0.497 25660 9803 1 19 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.388 -0.423 25660 9804 1 19 . 1 1 3 3 VAL H H 3 8.569 8.569 8.318 0.251 25660 9805 1 19 . 1 1 4 4 GLU N N 4 120.310 120.310 119.377 0.933 25660 9806 1 19 . 1 1 4 4 GLU HA H 4 4.008 4.008 3.997 0.011 25660 9807 1 19 . 1 1 4 4 GLU C C 4 180.515 180.515 179.193 1.322 25660 9808 1 19 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.298 -0.335 25660 9809 1 19 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.268 -0.789 25660 9810 1 19 . 1 1 4 4 GLU H H 4 8.083 8.083 7.959 0.124 25660 9811 1 19 . 1 1 5 5 LYS N N 5 121.058 121.058 118.795 2.263 25660 9812 1 19 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.140 -0.241 25660 9813 1 19 . 1 1 5 5 LYS C C 5 180.515 180.515 179.054 1.461 25660 9814 1 19 . 1 1 5 5 LYS CA C 5 59.459 59.459 57.998 1.461 25660 9815 1 19 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.150 0.304 25660 9816 1 19 . 1 1 5 5 LYS H H 5 8.096 8.096 7.553 0.543 25660 9817 1 19 . 1 1 6 6 GLY N N 6 107.193 107.193 107.483 -0.290 25660 9818 1 19 . 1 1 6 6 GLY C C 6 174.012 174.012 176.127 -2.115 25660 9819 1 19 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.694 -0.215 25660 9820 1 19 . 1 1 6 6 GLY H H 6 8.709 8.709 8.025 0.684 25660 9821 1 19 . 1 1 7 7 LYS N N 7 124.124 124.124 121.305 2.819 25660 9822 1 19 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.098 -0.938 25660 9823 1 19 . 1 1 7 7 LYS C C 7 177.457 177.457 178.425 -0.968 25660 9824 1 19 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.499 -0.447 25660 9825 1 19 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.793 0.312 25660 9826 1 19 . 1 1 7 7 LYS H H 7 8.039 8.039 8.241 -0.202 25660 9827 1 19 . 1 1 8 8 LYS N N 8 116.732 116.732 118.833 -2.101 25660 9828 1 19 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.077 -0.262 25660 9829 1 19 . 1 1 8 8 LYS C C 8 179.228 179.228 178.679 0.549 25660 9830 1 19 . 1 1 8 8 LYS CA C 8 59.322 59.322 59.247 0.075 25660 9831 1 19 . 1 1 8 8 LYS CB C 8 31.815 31.815 32.219 -0.404 25660 9832 1 19 . 1 1 8 8 LYS H H 8 6.958 6.958 7.583 -0.625 25660 9833 1 19 . 1 1 9 9 ILE N N 9 119.269 119.269 118.229 1.040 25660 9834 1 19 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.928 -0.209 25660 9835 1 19 . 1 1 9 9 ILE C C 9 177.006 177.006 177.699 -0.693 25660 9836 1 19 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.778 2.328 25660 9837 1 19 . 1 1 9 9 ILE CB C 9 37.562 37.562 36.894 0.668 25660 9838 1 19 . 1 1 9 9 ILE H H 9 7.681 7.681 7.491 0.190 25660 9839 1 19 . 1 1 10 10 PHE N N 10 120.908 120.908 121.280 -0.372 25660 9840 1 19 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.331 -0.358 25660 9841 1 19 . 1 1 10 10 PHE C C 10 178.820 178.820 177.826 0.994 25660 9842 1 19 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.459 0.705 25660 9843 1 19 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.303 0.074 25660 9844 1 19 . 1 1 10 10 PHE H H 10 8.635 8.635 7.654 0.981 25660 9845 1 19 . 1 1 11 11 ILE N N 11 121.053 121.053 118.923 2.130 25660 9846 1 19 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.737 -0.421 25660 9847 1 19 . 1 1 11 11 ILE C C 11 178.867 178.867 177.632 1.235 25660 9848 1 19 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.990 0.631 25660 9849 1 19 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.972 -0.355 25660 9850 1 19 . 1 1 11 11 ILE H H 11 8.834 8.834 8.274 0.560 25660 9851 1 19 . 1 1 12 12 MET N N 12 117.328 117.328 118.607 -1.279 25660 9852 1 19 . 1 1 12 12 MET HA H 12 4.219 4.219 4.205 0.014 25660 9853 1 19 . 1 1 12 12 MET C C 12 177.972 177.972 177.598 0.374 25660 9854 1 19 . 1 1 12 12 MET CA C 12 58.560 58.560 58.465 0.095 25660 9855 1 19 . 1 1 12 12 MET CB C 12 33.675 33.675 33.094 0.581 25660 9856 1 19 . 1 1 12 12 MET H H 12 8.047 8.047 7.961 0.086 25660 9857 1 19 . 1 1 13 13 LYS N N 13 113.452 113.452 115.715 -2.263 25660 9858 1 19 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.483 0.452 25660 9859 1 19 . 1 1 13 13 LYS C C 13 177.353 177.353 177.008 0.345 25660 9860 1 19 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.437 -0.177 25660 9861 1 19 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.237 0.962 25660 9862 1 19 . 1 1 13 13 LYS H H 13 9.016 9.016 7.862 1.154 25660 9863 1 19 . 1 1 14 14 CYS N N 14 115.390 115.390 117.078 -1.688 25660 9864 1 19 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.491 0.805 25660 9865 1 19 . 1 1 14 14 CYS C C 14 177.723 177.723 175.703 2.020 25660 9866 1 19 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.773 -5.654 25660 9867 1 19 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.422 8.363 25660 9868 1 19 . 1 1 14 14 CYS H H 14 8.130 8.130 8.364 -0.234 25660 9869 1 19 . 1 1 15 15 SER N N 15 114.347 114.347 117.461 -3.114 25660 9870 1 19 . 1 1 15 15 SER HA H 15 3.768 3.768 4.268 -0.500 25660 9871 1 19 . 1 1 15 15 SER C C 15 174.272 174.272 175.409 -1.137 25660 9872 1 19 . 1 1 15 15 SER CA C 15 60.587 60.587 61.370 -0.783 25660 9873 1 19 . 1 1 15 15 SER CB C 15 62.483 62.483 63.423 -0.940 25660 9874 1 19 . 1 1 15 15 SER H H 15 7.297 7.297 8.205 -0.908 25660 9875 1 19 . 1 1 16 16 GLN N N 16 120.608 120.608 116.800 3.808 25660 9876 1 19 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.208 -0.299 25660 9877 1 19 . 1 1 16 16 GLN C C 16 176.559 176.559 176.589 -0.030 25660 9878 1 19 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.647 0.291 25660 9879 1 19 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.220 -0.320 25660 9880 1 19 . 1 1 16 16 GLN H H 16 8.879 8.879 8.439 0.440 25660 9881 1 19 . 1 1 17 17 CYS N N 17 112.857 112.857 115.714 -2.857 25660 9882 1 19 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.721 -0.637 25660 9883 1 19 . 1 1 17 17 CYS C C 17 171.419 171.419 174.846 -3.427 25660 9884 1 19 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.696 -5.729 25660 9885 1 19 . 1 1 17 17 CYS CB C 17 38.172 38.172 30.077 8.095 25660 9886 1 19 . 1 1 17 17 CYS H H 17 6.805 6.805 7.904 -1.099 25660 9887 1 19 . 1 1 18 18 HIS N N 18 113.603 113.603 118.891 -5.288 25660 9888 1 19 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.403 -1.781 25660 9889 1 19 . 1 1 18 18 HIS CA C 18 53.514 53.514 56.624 -3.110 25660 9890 1 19 . 1 1 18 18 HIS CB C 18 31.916 31.916 31.575 0.341 25660 9891 1 19 . 1 1 18 18 HIS H H 18 6.223 6.223 8.429 -2.206 25660 9892 1 19 . 1 1 19 19 THR N N 19 109.280 109.280 113.979 -4.699 25660 9893 1 19 . 1 1 19 19 THR HA H 19 4.413 4.413 4.728 -0.315 25660 9894 1 19 . 1 1 19 19 THR C C 19 174.026 174.026 173.987 0.039 25660 9895 1 19 . 1 1 19 19 THR CA C 19 58.557 58.557 60.864 -2.307 25660 9896 1 19 . 1 1 19 19 THR CB C 19 71.176 71.176 71.397 -0.221 25660 9897 1 19 . 1 1 19 19 THR H H 19 7.636 7.636 8.230 -0.594 25660 9898 1 19 . 1 1 20 20 VAL N N 20 110.620 110.620 116.498 -5.878 25660 9899 1 19 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.744 -0.979 25660 9900 1 19 . 1 1 20 20 VAL C C 20 173.470 173.470 174.804 -1.334 25660 9901 1 19 . 1 1 20 20 VAL CA C 20 60.794 60.794 61.023 -0.229 25660 9902 1 19 . 1 1 20 20 VAL CB C 20 33.427 33.427 33.536 -0.109 25660 9903 1 19 . 1 1 20 20 VAL H H 20 7.675 7.675 8.394 -0.719 25660 9904 1 19 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.180 -0.046 25660 9905 1 19 . 1 1 21 21 GLU C C 21 177.538 177.538 176.272 1.266 25660 9906 1 19 . 1 1 21 21 GLU CA C 21 56.452 56.452 55.977 0.475 25660 9907 1 19 . 1 1 21 21 GLU CB C 21 29.646 29.646 30.321 -0.675 25660 9908 1 19 . 1 1 22 22 LYS N N 22 126.123 126.123 124.026 2.097 25660 9909 1 19 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.356 -0.304 25660 9910 1 19 . 1 1 22 22 LYS C C 22 177.538 177.538 177.183 0.355 25660 9911 1 19 . 1 1 22 22 LYS CA C 22 57.749 57.749 58.155 -0.406 25660 9912 1 19 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.210 -1.269 25660 9913 1 19 . 1 1 22 22 LYS H H 22 8.717 8.717 8.443 0.274 25660 9914 1 19 . 1 1 23 23 GLY N N 23 117.177 117.177 110.018 7.159 25660 9915 1 19 . 1 1 23 23 GLY C C 23 174.531 174.531 174.173 0.358 25660 9916 1 19 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.629 0.277 25660 9917 1 19 . 1 1 23 23 GLY H H 23 9.078 9.078 8.688 0.390 25660 9918 1 19 . 1 1 24 24 GLY N N 24 107.042 107.042 110.105 -3.063 25660 9919 1 19 . 1 1 24 24 GLY C C 24 172.234 172.234 173.075 -0.841 25660 9920 1 19 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.527 -0.381 25660 9921 1 19 . 1 1 24 24 GLY H H 24 7.730 7.730 7.484 0.246 25660 9922 1 19 . 1 1 25 25 LYS N N 25 118.452 118.452 117.408 1.044 25660 9923 1 19 . 1 1 25 25 LYS HA H 25 3.833 3.833 3.988 -0.155 25660 9924 1 19 . 1 1 25 25 LYS C C 25 178.209 178.209 174.764 3.445 25660 9925 1 19 . 1 1 25 25 LYS CA C 25 55.712 55.712 56.739 -1.026 25660 9926 1 19 . 1 1 25 25 LYS CB C 25 32.861 32.861 32.529 0.332 25660 9927 1 19 . 1 1 25 25 LYS H H 25 8.222 8.222 8.258 -0.036 25660 9928 1 19 . 1 1 26 26 HIS N N 26 122.465 122.465 121.955 0.510 25660 9929 1 19 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.649 -0.457 25660 9930 1 19 . 1 1 26 26 HIS C C 26 175.081 175.081 174.562 0.519 25660 9931 1 19 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.087 0.726 25660 9932 1 19 . 1 1 26 26 HIS CB C 26 30.173 30.173 32.499 -2.326 25660 9933 1 19 . 1 1 26 26 HIS H H 26 8.545 8.545 8.089 0.456 25660 9934 1 19 . 1 1 27 27 LYS N N 27 126.571 126.571 120.392 6.179 25660 9935 1 19 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.525 -0.155 25660 9936 1 19 . 1 1 27 27 LYS C C 27 175.781 175.781 177.077 -1.296 25660 9937 1 19 . 1 1 27 27 LYS CA C 27 55.066 55.066 55.498 -0.431 25660 9938 1 19 . 1 1 27 27 LYS CB C 27 30.731 30.731 32.967 -2.236 25660 9939 1 19 . 1 1 27 27 LYS H H 27 7.439 7.439 7.891 -0.452 25660 9940 1 19 . 1 1 28 28 THR HA H 28 4.017 4.017 4.087 -0.070 25660 9941 1 19 . 1 1 28 28 THR C C 28 174.931 174.931 175.454 -0.523 25660 9942 1 19 . 1 1 28 28 THR CA C 28 67.083 67.083 64.531 2.552 25660 9943 1 19 . 1 1 28 28 THR CB C 28 69.766 69.766 68.660 1.106 25660 9944 1 19 . 1 1 29 29 GLY N N 29 106.150 106.150 108.852 -2.702 25660 9945 1 19 . 1 1 29 29 GLY C C 29 169.328 169.328 171.280 -1.952 25660 9946 1 19 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.603 -1.721 25660 9947 1 19 . 1 1 29 29 GLY H H 29 7.548 7.548 7.341 0.207 25660 9948 1 19 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.152 -0.562 25660 9949 1 19 . 1 1 30 30 PRO CA C 30 60.269 60.269 62.270 -2.001 25660 9950 1 19 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.277 -2.257 25660 9951 1 19 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.738 -0.715 25660 9952 1 19 . 1 1 31 31 ASN C C 31 176.303 176.303 176.427 -0.124 25660 9953 1 19 . 1 1 31 31 ASN CA C 31 54.344 54.344 53.083 1.261 25660 9954 1 19 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.661 1.124 25660 9955 1 19 . 1 1 31 31 ASN H H 31 10.198 10.198 8.475 1.723 25660 9956 1 19 . 1 1 32 32 LEU N N 32 121.653 121.653 116.297 5.356 25660 9957 1 19 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.915 -0.048 25660 9958 1 19 . 1 1 32 32 LEU C C 32 174.533 174.533 175.317 -0.784 25660 9959 1 19 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.994 -2.707 25660 9960 1 19 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.279 1.241 25660 9961 1 19 . 1 1 32 32 LEU H H 32 7.889 7.889 7.985 -0.096 25660 9962 1 19 . 1 1 33 33 HIS N N 33 119.860 119.860 118.621 1.239 25660 9963 1 19 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.431 -0.724 25660 9964 1 19 . 1 1 33 33 HIS C C 33 176.992 176.992 175.292 1.700 25660 9965 1 19 . 1 1 33 33 HIS CA C 33 60.491 60.491 56.753 3.738 25660 9966 1 19 . 1 1 33 33 HIS CB C 33 28.223 28.223 28.127 0.096 25660 9967 1 19 . 1 1 33 33 HIS H H 33 7.445 7.445 8.159 -0.714 25660 9968 1 19 . 1 1 34 34 GLY N N 34 114.645 114.645 112.526 2.119 25660 9969 1 19 . 1 1 34 34 GLY C C 34 174.473 174.473 174.026 0.447 25660 9970 1 19 . 1 1 34 34 GLY CA C 34 45.713 45.713 44.958 0.755 25660 9971 1 19 . 1 1 34 34 GLY H H 34 8.763 8.763 8.253 0.510 25660 9972 1 19 . 1 1 35 35 LEU N N 35 117.774 117.774 122.114 -4.340 25660 9973 1 19 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.004 -0.477 25660 9974 1 19 . 1 1 35 35 LEU C C 35 176.507 176.507 176.025 0.482 25660 9975 1 19 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.381 0.078 25660 9976 1 19 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.312 1.496 25660 9977 1 19 . 1 1 35 35 LEU H H 35 7.010 7.010 7.527 -0.517 25660 9978 1 19 . 1 1 36 36 PHE N N 36 113.600 113.600 117.475 -3.875 25660 9979 1 19 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.503 -0.655 25660 9980 1 19 . 1 1 36 36 PHE C C 36 176.553 176.553 176.020 0.533 25660 9981 1 19 . 1 1 36 36 PHE CA C 36 59.702 59.702 58.622 1.080 25660 9982 1 19 . 1 1 36 36 PHE CB C 36 36.223 36.223 37.796 -1.573 25660 9983 1 19 . 1 1 36 36 PHE H H 36 8.694 8.694 8.012 0.682 25660 9984 1 19 . 1 1 37 37 GLY N N 37 112.857 112.857 113.390 -0.533 25660 9985 1 19 . 1 1 37 37 GLY C C 37 173.382 173.382 173.309 0.073 25660 9986 1 19 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.886 -0.431 25660 9987 1 19 . 1 1 37 37 GLY H H 37 8.839 8.839 8.272 0.567 25660 9988 1 19 . 1 1 38 38 ARG N N 38 124.035 124.035 117.717 6.318 25660 9989 1 19 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.717 -0.268 25660 9990 1 19 . 1 1 38 38 ARG C C 38 174.415 174.415 175.211 -0.796 25660 9991 1 19 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.022 1.742 25660 9992 1 19 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.490 -0.079 25660 9993 1 19 . 1 1 38 38 ARG H H 38 8.215 8.215 7.605 0.610 25660 9994 1 19 . 1 1 39 39 LYS N N 39 123.290 123.290 121.407 1.883 25660 9995 1 19 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.286 0.561 25660 9996 1 19 . 1 1 39 39 LYS C C 39 172.219 172.219 176.443 -4.224 25660 9997 1 19 . 1 1 39 39 LYS CA C 39 55.199 55.199 56.113 -0.914 25660 9998 1 19 . 1 1 39 39 LYS CB C 39 33.682 33.682 32.498 1.184 25660 9999 1 19 . 1 1 39 39 LYS H H 39 8.147 8.147 8.499 -0.352 25660 10000 1 19 . 1 1 40 40 THR N N 40 113.158 113.158 122.041 -8.883 25660 10001 1 19 . 1 1 40 40 THR HA H 40 4.463 4.463 4.063 0.400 25660 10002 1 19 . 1 1 40 40 THR C C 40 175.638 175.638 175.505 0.133 25660 10003 1 19 . 1 1 40 40 THR CA C 40 61.920 61.920 65.031 -3.111 25660 10004 1 19 . 1 1 40 40 THR CB C 40 68.539 68.539 68.725 -0.186 25660 10005 1 19 . 1 1 40 40 THR H H 40 7.804 7.804 8.533 -0.729 25660 10006 1 19 . 1 1 41 41 GLY N N 41 111.811 111.811 114.179 -2.368 25660 10007 1 19 . 1 1 41 41 GLY C C 41 174.720 174.720 174.694 0.026 25660 10008 1 19 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.092 0.318 25660 10009 1 19 . 1 1 41 41 GLY H H 41 9.040 9.040 8.854 0.186 25660 10010 1 19 . 1 1 42 42 GLN N N 42 117.180 117.180 122.976 -5.796 25660 10011 1 19 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.385 -0.031 25660 10012 1 19 . 1 1 42 42 GLN C C 42 175.152 175.152 174.097 1.055 25660 10013 1 19 . 1 1 42 42 GLN CA C 42 54.615 54.615 54.974 -0.359 25660 10014 1 19 . 1 1 42 42 GLN CB C 42 28.977 28.977 28.140 0.837 25660 10015 1 19 . 1 1 42 42 GLN H H 42 8.084 8.084 7.667 0.417 25660 10016 1 19 . 1 1 43 43 ALA N N 43 125.825 125.825 128.396 -2.571 25660 10017 1 19 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.856 -0.320 25660 10018 1 19 . 1 1 43 43 ALA C C 43 175.308 175.308 175.146 0.162 25660 10019 1 19 . 1 1 43 43 ALA CA C 43 49.991 49.991 49.133 0.858 25660 10020 1 19 . 1 1 43 43 ALA CB C 43 18.488 18.488 19.177 -0.689 25660 10021 1 19 . 1 1 43 43 ALA H H 43 8.063 8.063 7.920 0.143 25660 10022 1 19 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.346 0.010 25660 10023 1 19 . 1 1 44 44 PRO C C 44 178.294 178.294 177.302 0.992 25660 10024 1 19 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.774 -1.318 25660 10025 1 19 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.624 -0.110 25660 10026 1 19 . 1 1 45 45 GLY N N 45 112.024 112.024 111.620 0.404 25660 10027 1 19 . 1 1 45 45 GLY C C 45 173.301 173.301 173.524 -0.223 25660 10028 1 19 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.369 -0.019 25660 10029 1 19 . 1 1 45 45 GLY H H 45 8.831 8.831 8.665 0.166 25660 10030 1 19 . 1 1 46 46 TYR N N 46 120.307 120.307 122.186 -1.879 25660 10031 1 19 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.621 -0.429 25660 10032 1 19 . 1 1 46 46 TYR C C 46 174.910 174.910 175.244 -0.334 25660 10033 1 19 . 1 1 46 46 TYR CA C 46 57.515 57.515 57.717 -0.202 25660 10034 1 19 . 1 1 46 46 TYR CB C 46 39.539 39.539 38.478 1.061 25660 10035 1 19 . 1 1 46 46 TYR H H 46 7.661 7.661 7.977 -0.316 25660 10036 1 19 . 1 1 50 50 ALA N N 50 125.381 125.381 126.868 -1.487 25660 10037 1 19 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.423 -0.257 25660 10038 1 19 . 1 1 50 50 ALA C C 50 178.430 178.430 178.507 -0.077 25660 10039 1 19 . 1 1 50 50 ALA CA C 50 53.813 53.813 52.770 1.043 25660 10040 1 19 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.450 -1.508 25660 10041 1 19 . 1 1 50 50 ALA H H 50 8.507 8.507 8.479 0.028 25660 10042 1 19 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.947 0.046 25660 10043 1 19 . 1 1 51 51 ALA C C 51 178.634 178.634 179.042 -0.408 25660 10044 1 19 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.608 -0.675 25660 10045 1 19 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.435 -0.186 25660 10046 1 19 . 1 1 52 52 ASN N N 52 117.178 117.178 116.003 1.175 25660 10047 1 19 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.557 -0.228 25660 10048 1 19 . 1 1 52 52 ASN C C 52 176.255 176.255 177.949 -1.694 25660 10049 1 19 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.849 -0.080 25660 10050 1 19 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.237 1.016 25660 10051 1 19 . 1 1 52 52 ASN H H 52 8.286 8.286 8.074 0.212 25660 10052 1 19 . 1 1 53 53 LYS N N 53 120.164 120.164 120.273 -0.109 25660 10053 1 19 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.019 -0.291 25660 10054 1 19 . 1 1 53 53 LYS C C 53 177.676 177.676 178.025 -0.349 25660 10055 1 19 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.946 -0.544 25660 10056 1 19 . 1 1 53 53 LYS CB C 53 32.296 32.296 32.195 0.101 25660 10057 1 19 . 1 1 53 53 LYS H H 53 8.152 8.152 7.631 0.521 25660 10058 1 19 . 1 1 54 54 ASN N N 54 116.286 116.286 117.274 -0.988 25660 10059 1 19 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.595 -0.206 25660 10060 1 19 . 1 1 54 54 ASN C C 54 175.501 175.501 176.265 -0.764 25660 10061 1 19 . 1 1 54 54 ASN CA C 54 53.488 53.488 54.827 -1.339 25660 10062 1 19 . 1 1 54 54 ASN CB C 54 38.101 38.101 38.293 -0.192 25660 10063 1 19 . 1 1 54 54 ASN H H 54 8.553 8.553 7.892 0.661 25660 10064 1 19 . 1 1 55 55 LYS N N 55 121.354 121.354 118.945 2.409 25660 10065 1 19 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.289 -0.257 25660 10066 1 19 . 1 1 55 55 LYS C C 55 177.422 177.422 177.126 0.296 25660 10067 1 19 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.734 1.083 25660 10068 1 19 . 1 1 55 55 LYS CB C 55 31.536 31.536 32.895 -1.359 25660 10069 1 19 . 1 1 55 55 LYS H H 55 7.634 7.634 7.625 0.009 25660 10070 1 19 . 1 1 56 56 GLY CA C 56 46.052 46.052 44.840 1.212 25660 10071 1 19 . 1 1 57 57 ILE HA H 57 4.042 4.042 3.972 0.070 25660 10072 1 19 . 1 1 57 57 ILE C C 57 173.923 173.923 174.356 -0.433 25660 10073 1 19 . 1 1 57 57 ILE CA C 57 58.621 58.621 62.362 -3.741 25660 10074 1 19 . 1 1 57 57 ILE CB C 57 38.366 38.366 38.484 -0.118 25660 10075 1 19 . 1 1 58 58 ILE N N 58 121.053 121.053 129.236 -8.183 25660 10076 1 19 . 1 1 58 58 ILE HA H 58 4.082 4.082 4.176 -0.094 25660 10077 1 19 . 1 1 58 58 ILE C C 58 177.495 177.495 175.783 1.712 25660 10078 1 19 . 1 1 58 58 ILE CA C 58 58.867 58.867 59.260 -0.393 25660 10079 1 19 . 1 1 58 58 ILE CB C 58 38.504 38.504 41.002 -2.498 25660 10080 1 19 . 1 1 58 58 ILE H H 58 7.988 7.988 8.073 -0.085 25660 10081 1 19 . 1 1 59 59 TRP N N 59 130.896 130.896 128.054 2.842 25660 10082 1 19 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.364 0.465 25660 10083 1 19 . 1 1 59 59 TRP C C 59 175.793 175.793 176.026 -0.233 25660 10084 1 19 . 1 1 59 59 TRP CA C 59 57.229 57.229 57.338 -0.109 25660 10085 1 19 . 1 1 59 59 TRP CB C 59 29.908 29.908 29.613 0.295 25660 10086 1 19 . 1 1 59 59 TRP H H 59 8.931 8.931 8.451 0.480 25660 10087 1 19 . 1 1 60 60 GLY N N 60 111.218 111.218 109.799 1.419 25660 10088 1 19 . 1 1 60 60 GLY C C 60 171.636 171.636 173.553 -1.917 25660 10089 1 19 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.581 -1.367 25660 10090 1 19 . 1 1 60 60 GLY H H 60 7.839 7.839 7.988 -0.149 25660 10091 1 19 . 1 1 61 61 GLU N N 61 120.606 120.606 119.152 1.454 25660 10092 1 19 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.229 -0.371 25660 10093 1 19 . 1 1 61 61 GLU C C 61 177.011 177.011 176.679 0.332 25660 10094 1 19 . 1 1 61 61 GLU CA C 61 62.088 62.088 59.696 2.392 25660 10095 1 19 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.891 -0.527 25660 10096 1 19 . 1 1 61 61 GLU H H 61 9.619 9.619 8.882 0.737 25660 10097 1 19 . 1 1 62 62 ASP N N 62 114.943 114.943 116.055 -1.112 25660 10098 1 19 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.754 -0.420 25660 10099 1 19 . 1 1 62 62 ASP C C 62 179.228 179.228 177.321 1.907 25660 10100 1 19 . 1 1 62 62 ASP CA C 62 57.208 57.208 56.285 0.923 25660 10101 1 19 . 1 1 62 62 ASP CB C 62 39.477 39.477 41.526 -2.049 25660 10102 1 19 . 1 1 62 62 ASP H H 62 8.396 8.396 8.539 -0.143 25660 10103 1 19 . 1 1 63 63 THR N N 63 112.857 112.857 114.599 -1.742 25660 10104 1 19 . 1 1 63 63 THR HA H 63 4.116 4.116 4.348 -0.232 25660 10105 1 19 . 1 1 63 63 THR C C 63 177.971 177.971 176.475 1.496 25660 10106 1 19 . 1 1 63 63 THR CA C 63 63.601 63.601 64.802 -1.201 25660 10107 1 19 . 1 1 63 63 THR CB C 63 68.918 68.918 68.597 0.321 25660 10108 1 19 . 1 1 63 63 THR H H 63 8.246 8.246 8.114 0.132 25660 10109 1 19 . 1 1 64 64 LEU N N 64 121.355 121.355 122.336 -0.981 25660 10110 1 19 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.147 0.086 25660 10111 1 19 . 1 1 64 64 LEU C C 64 178.628 178.628 178.870 -0.242 25660 10112 1 19 . 1 1 64 64 LEU CA C 64 58.314 58.314 57.909 0.405 25660 10113 1 19 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.665 0.690 25660 10114 1 19 . 1 1 64 64 LEU H H 64 8.809 8.809 7.726 1.083 25660 10115 1 19 . 1 1 65 65 MET N N 65 118.519 118.519 118.578 -0.059 25660 10116 1 19 . 1 1 65 65 MET HA H 65 3.896 3.896 4.206 -0.310 25660 10117 1 19 . 1 1 65 65 MET C C 65 177.782 177.782 177.317 0.465 25660 10118 1 19 . 1 1 65 65 MET CA C 65 57.910 57.910 58.127 -0.217 25660 10119 1 19 . 1 1 65 65 MET CB C 65 31.019 31.019 32.310 -1.291 25660 10120 1 19 . 1 1 65 65 MET H H 65 7.934 7.934 7.904 0.030 25660 10121 1 19 . 1 1 66 66 GLU N N 66 117.027 117.027 119.534 -2.507 25660 10122 1 19 . 1 1 66 66 GLU HA H 66 3.958 3.958 3.918 0.040 25660 10123 1 19 . 1 1 66 66 GLU C C 66 178.928 178.928 178.618 0.310 25660 10124 1 19 . 1 1 66 66 GLU CA C 66 58.103 58.103 59.042 -0.939 25660 10125 1 19 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.157 0.519 25660 10126 1 19 . 1 1 66 66 GLU H H 66 6.795 6.795 8.358 -1.563 25660 10127 1 19 . 1 1 67 67 TYR N N 67 120.608 120.608 121.333 -0.725 25660 10128 1 19 . 1 1 67 67 TYR HA H 67 3.501 3.501 3.917 -0.416 25660 10129 1 19 . 1 1 67 67 TYR C C 67 176.312 176.312 177.681 -1.369 25660 10130 1 19 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.516 -1.605 25660 10131 1 19 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.922 1.196 25660 10132 1 19 . 1 1 67 67 TYR H H 67 8.170 8.170 7.731 0.439 25660 10133 1 19 . 1 1 68 68 LEU N N 68 109.278 109.278 118.244 -8.966 25660 10134 1 19 . 1 1 68 68 LEU HA H 68 2.986 2.986 4.012 -1.026 25660 10135 1 19 . 1 1 68 68 LEU C C 68 176.652 176.652 178.783 -2.131 25660 10136 1 19 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.887 -1.676 25660 10137 1 19 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.621 -0.433 25660 10138 1 19 . 1 1 68 68 LEU H H 68 8.108 8.108 7.893 0.215 25660 10139 1 19 . 1 1 69 69 GLU N N 69 119.118 119.118 120.342 -1.224 25660 10140 1 19 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.367 -0.507 25660 10141 1 19 . 1 1 69 69 GLU C C 69 176.033 176.033 176.163 -0.130 25660 10142 1 19 . 1 1 69 69 GLU CA C 69 58.526 58.526 58.993 -0.467 25660 10143 1 19 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.482 -0.933 25660 10144 1 19 . 1 1 69 69 GLU H H 69 6.783 6.783 8.180 -1.397 25660 10145 1 19 . 1 1 70 70 ASN N N 70 105.553 105.553 111.445 -5.892 25660 10146 1 19 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.391 -1.260 25660 10147 1 19 . 1 1 70 70 ASN C C 70 172.247 172.247 172.781 -0.534 25660 10148 1 19 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.429 -0.064 25660 10149 1 19 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.104 -1.307 25660 10150 1 19 . 1 1 70 70 ASN H H 70 6.092 6.092 7.695 -1.603 25660 10151 1 19 . 1 1 71 71 PRO HA H 71 3.517 3.517 3.968 -0.451 25660 10152 1 19 . 1 1 71 71 PRO C C 71 176.414 176.414 177.836 -1.422 25660 10153 1 19 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.367 0.305 25660 10154 1 19 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.785 -1.850 25660 10155 1 19 . 1 1 72 72 LYS N N 72 113.454 113.454 114.060 -0.606 25660 10156 1 19 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.410 -0.695 25660 10157 1 19 . 1 1 72 72 LYS C C 72 177.234 177.234 177.722 -0.488 25660 10158 1 19 . 1 1 72 72 LYS CA C 72 57.046 57.046 57.175 -0.129 25660 10159 1 19 . 1 1 72 72 LYS CB C 72 31.565 31.565 30.936 0.629 25660 10160 1 19 . 1 1 72 72 LYS H H 72 7.457 7.457 7.840 -0.383 25660 10161 1 19 . 1 1 73 73 LYS N N 73 118.522 118.522 119.530 -1.008 25660 10162 1 19 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.218 -0.428 25660 10163 1 19 . 1 1 73 73 LYS C C 73 176.890 176.890 178.014 -1.124 25660 10164 1 19 . 1 1 73 73 LYS CA C 73 57.407 57.407 57.573 -0.166 25660 10165 1 19 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.935 -0.036 25660 10166 1 19 . 1 1 73 73 LYS H H 73 6.855 6.855 7.706 -0.851 25660 10167 1 19 . 1 1 74 74 TYR N N 74 118.674 118.674 120.532 -1.858 25660 10168 1 19 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.224 0.007 25660 10169 1 19 . 1 1 74 74 TYR C C 74 175.794 175.794 175.277 0.517 25660 10170 1 19 . 1 1 74 74 TYR CA C 74 60.721 60.721 61.537 -0.816 25660 10171 1 19 . 1 1 74 74 TYR CB C 74 39.536 39.536 40.063 -0.527 25660 10172 1 19 . 1 1 74 74 TYR H H 74 7.219 7.219 7.952 -0.733 25660 10173 1 19 . 1 1 75 75 ILE N N 75 114.346 114.346 114.620 -0.274 25660 10174 1 19 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.541 -0.474 25660 10175 1 19 . 1 1 75 75 ILE C C 75 179.773 179.773 173.333 6.440 25660 10176 1 19 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.696 -0.222 25660 10177 1 19 . 1 1 75 75 ILE CB C 75 37.615 37.615 40.337 -2.722 25660 10178 1 19 . 1 1 75 75 ILE H H 75 8.189 8.189 8.276 -0.087 25660 10179 1 19 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.603 -0.126 25660 10180 1 19 . 1 1 76 76 PRO C C 76 178.583 178.583 177.352 1.231 25660 10181 1 19 . 1 1 76 76 PRO CA C 76 64.021 64.021 64.085 -0.064 25660 10182 1 19 . 1 1 76 76 PRO CB C 76 31.137 31.137 32.088 -0.951 25660 10183 1 19 . 1 1 77 77 GLY N N 77 108.831 108.831 106.908 1.923 25660 10184 1 19 . 1 1 77 77 GLY C C 77 174.866 174.866 174.705 0.161 25660 10185 1 19 . 1 1 77 77 GLY CA C 77 44.314 44.314 44.297 0.017 25660 10186 1 19 . 1 1 77 77 GLY H H 77 8.563 8.563 8.293 0.270 25660 10187 1 19 . 1 1 78 78 THR N N 78 115.541 115.541 114.440 1.101 25660 10188 1 19 . 1 1 78 78 THR HA H 78 4.226 4.226 4.321 -0.095 25660 10189 1 19 . 1 1 78 78 THR C C 78 173.114 173.114 175.125 -2.011 25660 10190 1 19 . 1 1 78 78 THR CA C 78 61.759 61.759 62.703 -0.944 25660 10191 1 19 . 1 1 78 78 THR CB C 78 67.910 67.910 69.562 -1.652 25660 10192 1 19 . 1 1 78 78 THR H H 78 7.922 7.922 7.524 0.398 25660 10193 1 19 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.466 -0.085 25660 10194 1 19 . 1 1 79 79 LYS C C 79 175.845 175.845 176.661 -0.816 25660 10195 1 19 . 1 1 79 79 LYS CA C 79 55.526 55.526 56.327 -0.801 25660 10196 1 19 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.771 -0.468 25660 10197 1 19 . 1 1 80 80 MET N N 80 123.515 123.515 121.446 2.069 25660 10198 1 19 . 1 1 80 80 MET HA H 80 2.934 2.934 4.342 -1.408 25660 10199 1 19 . 1 1 80 80 MET C C 80 171.833 171.833 175.154 -3.321 25660 10200 1 19 . 1 1 80 80 MET CA C 80 55.863 55.863 56.266 -0.403 25660 10201 1 19 . 1 1 80 80 MET CB C 80 27.552 27.552 32.420 -4.868 25660 10202 1 19 . 1 1 80 80 MET H H 80 7.384 7.384 8.196 -0.812 25660 10203 1 19 . 1 1 81 81 ILE N N 81 130.146 130.146 128.308 1.838 25660 10204 1 19 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.271 -0.786 25660 10205 1 19 . 1 1 81 81 ILE C C 81 173.220 173.220 175.354 -2.134 25660 10206 1 19 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.470 -1.185 25660 10207 1 19 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.899 -1.287 25660 10208 1 19 . 1 1 81 81 ILE H H 81 7.856 7.856 8.642 -0.786 25660 10209 1 19 . 1 1 82 82 PHE N N 82 123.143 123.143 128.836 -5.693 25660 10210 1 19 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.768 -0.441 25660 10211 1 19 . 1 1 82 82 PHE C C 82 174.333 174.333 174.720 -0.387 25660 10212 1 19 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.328 -0.750 25660 10213 1 19 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.319 -1.675 25660 10214 1 19 . 1 1 82 82 PHE H H 82 6.529 6.529 8.069 -1.540 25660 10215 1 19 . 1 1 83 83 VAL N N 83 125.079 125.079 124.663 0.416 25660 10216 1 19 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.991 -0.705 25660 10217 1 19 . 1 1 83 83 VAL C C 83 174.444 174.444 176.121 -1.677 25660 10218 1 19 . 1 1 83 83 VAL CA C 83 64.273 64.273 64.024 0.249 25660 10219 1 19 . 1 1 83 83 VAL CB C 83 31.352 31.352 32.008 -0.656 25660 10220 1 19 . 1 1 83 83 VAL H H 83 7.739 7.739 8.009 -0.270 25660 10221 1 19 . 1 1 84 84 GLY C C 84 172.113 172.113 172.954 -0.841 25660 10222 1 19 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.668 -1.832 25660 10223 1 19 . 1 1 85 85 ILE N N 85 120.758 120.758 121.007 -0.249 25660 10224 1 19 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.471 -0.335 25660 10225 1 19 . 1 1 85 85 ILE C C 85 175.103 175.103 176.590 -1.487 25660 10226 1 19 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.202 -0.812 25660 10227 1 19 . 1 1 85 85 ILE CB C 85 39.528 39.528 40.627 -1.099 25660 10228 1 19 . 1 1 85 85 ILE H H 85 8.327 8.327 8.604 -0.277 25660 10229 1 19 . 1 1 86 86 LYS N N 86 127.466 127.466 126.714 0.752 25660 10230 1 19 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.319 -0.347 25660 10231 1 19 . 1 1 86 86 LYS C C 86 178.442 178.442 175.928 2.514 25660 10232 1 19 . 1 1 86 86 LYS CA C 86 58.619 58.619 56.985 1.634 25660 10233 1 19 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.354 -0.011 25660 10234 1 19 . 1 1 86 86 LYS H H 86 8.518 8.518 8.768 -0.250 25660 10235 1 19 . 1 1 87 87 LYS N N 87 120.309 120.309 119.290 1.019 25660 10236 1 19 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.705 -0.458 25660 10237 1 19 . 1 1 87 87 LYS C C 87 177.569 177.569 175.892 1.677 25660 10238 1 19 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.112 1.753 25660 10239 1 19 . 1 1 87 87 LYS CB C 87 32.531 32.531 33.722 -1.192 25660 10240 1 19 . 1 1 87 87 LYS H H 87 8.368 8.368 7.692 0.676 25660 10241 1 19 . 1 1 88 88 LYS N N 88 129.999 129.999 126.100 3.899 25660 10242 1 19 . 1 1 88 88 LYS HA H 88 3.562 3.562 4.012 -0.450 25660 10243 1 19 . 1 1 88 88 LYS C C 88 177.664 177.664 178.323 -0.659 25660 10244 1 19 . 1 1 88 88 LYS CA C 88 60.314 60.314 58.963 1.351 25660 10245 1 19 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.233 -0.150 25660 10246 1 19 . 1 1 88 88 LYS H H 88 9.151 9.151 9.060 0.091 25660 10247 1 19 . 1 1 89 89 GLU N N 89 117.925 117.925 117.966 -0.041 25660 10248 1 19 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.079 -0.180 25660 10249 1 19 . 1 1 89 89 GLU C C 89 177.911 177.911 178.338 -0.427 25660 10250 1 19 . 1 1 89 89 GLU CA C 89 59.760 59.760 58.958 0.802 25660 10251 1 19 . 1 1 89 89 GLU CB C 89 28.814 28.814 28.756 0.058 25660 10252 1 19 . 1 1 89 89 GLU H H 89 9.462 9.462 8.925 0.537 25660 10253 1 19 . 1 1 90 90 GLU N N 90 116.437 116.437 119.749 -3.312 25660 10254 1 19 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.139 0.059 25660 10255 1 19 . 1 1 90 90 GLU C C 90 178.730 178.730 178.824 -0.094 25660 10256 1 19 . 1 1 90 90 GLU CA C 90 58.277 58.277 58.832 -0.555 25660 10257 1 19 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.766 0.224 25660 10258 1 19 . 1 1 90 90 GLU H H 90 6.347 6.347 7.657 -1.310 25660 10259 1 19 . 1 1 91 91 ARG N N 91 117.405 117.405 118.983 -1.578 25660 10260 1 19 . 1 1 91 91 ARG HA H 91 3.740 3.740 4.025 -0.285 25660 10261 1 19 . 1 1 91 91 ARG C C 91 177.430 177.430 178.299 -0.869 25660 10262 1 19 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.020 2.162 25660 10263 1 19 . 1 1 91 91 ARG CB C 91 31.106 31.106 29.807 1.299 25660 10264 1 19 . 1 1 91 91 ARG H H 91 7.423 7.423 7.738 -0.315 25660 10265 1 19 . 1 1 92 92 ALA N N 92 120.161 120.161 120.152 0.009 25660 10266 1 19 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.166 -0.196 25660 10267 1 19 . 1 1 92 92 ALA C C 92 181.044 181.044 178.780 2.264 25660 10268 1 19 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.666 0.615 25660 10269 1 19 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.404 -0.865 25660 10270 1 19 . 1 1 92 92 ALA H H 92 8.668 8.668 8.307 0.361 25660 10271 1 19 . 1 1 93 93 ASP N N 93 122.101 122.101 120.348 1.753 25660 10272 1 19 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.613 -0.405 25660 10273 1 19 . 1 1 93 93 ASP C C 93 177.634 177.634 178.048 -0.414 25660 10274 1 19 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.166 0.981 25660 10275 1 19 . 1 1 93 93 ASP CB C 93 39.552 39.552 41.375 -1.823 25660 10276 1 19 . 1 1 93 93 ASP H H 93 8.153 8.153 7.768 0.385 25660 10277 1 19 . 1 1 94 94 LEU N N 94 121.208 121.208 123.273 -2.065 25660 10278 1 19 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.254 -0.049 25660 10279 1 19 . 1 1 94 94 LEU C C 94 178.395 178.395 178.849 -0.454 25660 10280 1 19 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.101 0.194 25660 10281 1 19 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.230 -0.519 25660 10282 1 19 . 1 1 94 94 LEU H H 94 8.183 8.183 7.663 0.520 25660 10283 1 19 . 1 1 95 95 ILE N N 95 120.159 120.159 118.076 2.083 25660 10284 1 19 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.645 -0.036 25660 10285 1 19 . 1 1 95 95 ILE C C 95 176.351 176.351 177.442 -1.091 25660 10286 1 19 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.387 0.835 25660 10287 1 19 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.560 0.108 25660 10288 1 19 . 1 1 95 95 ILE H H 95 8.974 8.974 8.581 0.393 25660 10289 1 19 . 1 1 96 96 ALA N N 96 123.001 123.001 122.416 0.585 25660 10290 1 19 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.969 0.057 25660 10291 1 19 . 1 1 96 96 ALA C C 96 180.700 180.700 179.278 1.422 25660 10292 1 19 . 1 1 96 96 ALA CA C 96 54.933 54.933 54.938 -0.005 25660 10293 1 19 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.032 -1.062 25660 10294 1 19 . 1 1 96 96 ALA H H 96 7.974 7.974 7.219 0.755 25660 10295 1 19 . 1 1 97 97 TYR N N 97 118.224 118.224 120.194 -1.970 25660 10296 1 19 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.077 0.120 25660 10297 1 19 . 1 1 97 97 TYR C C 97 176.278 176.278 177.447 -1.169 25660 10298 1 19 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.931 1.525 25660 10299 1 19 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.131 -1.188 25660 10300 1 19 . 1 1 97 97 TYR H H 97 8.089 8.089 8.123 -0.034 25660 10301 1 19 . 1 1 98 98 LEU N N 98 119.118 119.118 118.466 0.652 25660 10302 1 19 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.357 -0.023 25660 10303 1 19 . 1 1 98 98 LEU C C 98 179.188 179.188 179.159 0.029 25660 10304 1 19 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.764 -0.114 25660 10305 1 19 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.432 0.213 25660 10306 1 19 . 1 1 98 98 LEU H H 98 8.982 8.982 8.327 0.655 25660 10307 1 19 . 1 1 99 99 LYS N N 99 123.889 123.889 118.693 5.196 25660 10308 1 19 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.875 -1.326 25660 10309 1 19 . 1 1 99 99 LYS C C 99 176.653 176.653 178.941 -2.288 25660 10310 1 19 . 1 1 99 99 LYS CA C 99 59.190 59.190 58.865 0.325 25660 10311 1 19 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.827 0.042 25660 10312 1 19 . 1 1 99 99 LYS H H 99 8.945 8.945 7.899 1.046 25660 10313 1 19 . 1 1 100 100 LYS N N 100 116.726 116.726 118.854 -2.128 25660 10314 1 19 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.115 -0.139 25660 10315 1 19 . 1 1 100 100 LYS C C 100 178.363 178.363 177.541 0.822 25660 10316 1 19 . 1 1 100 100 LYS CA C 100 57.655 57.655 57.962 -0.307 25660 10317 1 19 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.612 0.563 25660 10318 1 19 . 1 1 100 100 LYS H H 100 6.724 6.724 7.493 -0.769 25660 10319 1 19 . 1 1 101 101 ALA N N 101 119.416 119.416 117.290 2.126 25660 10320 1 19 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.484 -0.689 25660 10321 1 19 . 1 1 101 101 ALA C C 101 179.576 179.576 177.176 2.400 25660 10322 1 19 . 1 1 101 101 ALA CA C 101 54.401 54.401 53.429 0.972 25660 10323 1 19 . 1 1 101 101 ALA CB C 101 18.353 18.353 20.100 -1.747 25660 10324 1 19 . 1 1 101 101 ALA H H 101 8.539 8.539 8.018 0.521 25660 10325 1 19 . 1 1 102 102 THR N N 102 101.974 101.974 107.143 -5.169 25660 10326 1 19 . 1 1 102 102 THR HA H 102 4.157 4.157 4.089 0.068 25660 10327 1 19 . 1 1 102 102 THR C C 102 172.872 172.872 174.035 -1.163 25660 10328 1 19 . 1 1 102 102 THR CA C 102 61.954 61.954 61.909 0.045 25660 10329 1 19 . 1 1 102 102 THR CB C 102 69.403 69.403 70.146 -0.743 25660 10330 1 19 . 1 1 102 102 THR H H 102 7.810 7.810 8.013 -0.203 25660 10331 1 19 . 1 1 103 103 ASN N N 103 118.372 118.372 118.964 -0.592 25660 10332 1 19 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.768 -0.001 25660 10333 1 19 . 1 1 103 103 ASN C C 103 173.663 173.663 175.282 -1.619 25660 10334 1 19 . 1 1 103 103 ASN CA C 103 52.469 52.469 53.544 -1.075 25660 10335 1 19 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.922 2.454 25660 10336 1 19 . 1 1 103 103 ASN H H 103 6.968 6.968 8.095 -1.127 25660 10337 1 20 . 1 1 2 2 ASP N N 2 124.691 124.691 120.030 4.661 25660 10338 1 20 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.931 -0.156 25660 10339 1 20 . 1 1 2 2 ASP C C 2 175.662 175.662 175.872 -0.210 25660 10340 1 20 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.559 0.214 25660 10341 1 20 . 1 1 2 2 ASP CB C 2 42.313 42.313 42.776 -0.463 25660 10342 1 20 . 1 1 2 2 ASP H H 2 9.541 9.541 8.639 0.902 25660 10343 1 20 . 1 1 3 3 VAL N N 3 123.739 123.739 118.877 4.862 25660 10344 1 20 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.922 -0.372 25660 10345 1 20 . 1 1 3 3 VAL C C 3 177.302 177.302 177.746 -0.444 25660 10346 1 20 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.722 0.224 25660 10347 1 20 . 1 1 3 3 VAL CB C 3 31.965 31.965 31.890 0.075 25660 10348 1 20 . 1 1 3 3 VAL H H 3 8.569 8.569 8.345 0.224 25660 10349 1 20 . 1 1 4 4 GLU N N 4 120.310 120.310 120.071 0.239 25660 10350 1 20 . 1 1 4 4 GLU HA H 4 4.008 4.008 3.909 0.099 25660 10351 1 20 . 1 1 4 4 GLU C C 4 180.515 180.515 179.258 1.257 25660 10352 1 20 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.792 -0.829 25660 10353 1 20 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.282 -0.803 25660 10354 1 20 . 1 1 4 4 GLU H H 4 8.083 8.083 7.977 0.106 25660 10355 1 20 . 1 1 5 5 LYS N N 5 121.058 121.058 118.158 2.900 25660 10356 1 20 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.087 -0.188 25660 10357 1 20 . 1 1 5 5 LYS C C 5 180.515 180.515 179.206 1.309 25660 10358 1 20 . 1 1 5 5 LYS CA C 5 59.459 59.459 58.621 0.838 25660 10359 1 20 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.288 0.165 25660 10360 1 20 . 1 1 5 5 LYS H H 5 8.096 8.096 8.253 -0.157 25660 10361 1 20 . 1 1 6 6 GLY N N 6 107.193 107.193 107.184 0.009 25660 10362 1 20 . 1 1 6 6 GLY C C 6 174.012 174.012 175.855 -1.843 25660 10363 1 20 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.531 -0.052 25660 10364 1 20 . 1 1 6 6 GLY H H 6 8.709 8.709 8.042 0.667 25660 10365 1 20 . 1 1 7 7 LYS N N 7 124.124 124.124 121.926 2.198 25660 10366 1 20 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.227 -1.067 25660 10367 1 20 . 1 1 7 7 LYS C C 7 177.457 177.457 178.555 -1.098 25660 10368 1 20 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.779 -0.727 25660 10369 1 20 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.891 0.214 25660 10370 1 20 . 1 1 7 7 LYS H H 7 8.039 8.039 8.111 -0.072 25660 10371 1 20 . 1 1 8 8 LYS N N 8 116.732 116.732 117.350 -0.618 25660 10372 1 20 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.111 -0.296 25660 10373 1 20 . 1 1 8 8 LYS C C 8 179.228 179.228 179.102 0.126 25660 10374 1 20 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.117 1.205 25660 10375 1 20 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.725 0.090 25660 10376 1 20 . 1 1 8 8 LYS H H 8 6.958 6.958 7.447 -0.489 25660 10377 1 20 . 1 1 9 9 ILE N N 9 119.269 119.269 120.367 -1.098 25660 10378 1 20 . 1 1 9 9 ILE HA H 9 3.719 3.719 4.000 -0.281 25660 10379 1 20 . 1 1 9 9 ILE C C 9 177.006 177.006 177.570 -0.564 25660 10380 1 20 . 1 1 9 9 ILE CA C 9 65.105 65.105 61.966 3.139 25660 10381 1 20 . 1 1 9 9 ILE CB C 9 37.562 37.562 37.170 0.392 25660 10382 1 20 . 1 1 9 9 ILE H H 9 7.681 7.681 7.521 0.160 25660 10383 1 20 . 1 1 10 10 PHE N N 10 120.908 120.908 122.192 -1.284 25660 10384 1 20 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.376 -0.403 25660 10385 1 20 . 1 1 10 10 PHE C C 10 178.820 178.820 178.609 0.211 25660 10386 1 20 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.829 0.335 25660 10387 1 20 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.456 -0.079 25660 10388 1 20 . 1 1 10 10 PHE H H 10 8.635 8.635 8.153 0.482 25660 10389 1 20 . 1 1 11 11 ILE N N 11 121.053 121.053 118.897 2.156 25660 10390 1 20 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.786 -0.470 25660 10391 1 20 . 1 1 11 11 ILE C C 11 178.867 178.867 177.038 1.829 25660 10392 1 20 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.675 0.947 25660 10393 1 20 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.992 -0.375 25660 10394 1 20 . 1 1 11 11 ILE H H 11 8.834 8.834 8.717 0.117 25660 10395 1 20 . 1 1 12 12 MET N N 12 117.328 117.328 117.293 0.035 25660 10396 1 20 . 1 1 12 12 MET HA H 12 4.219 4.219 4.398 -0.179 25660 10397 1 20 . 1 1 12 12 MET C C 12 177.972 177.972 177.429 0.543 25660 10398 1 20 . 1 1 12 12 MET CA C 12 58.560 58.560 57.446 1.115 25660 10399 1 20 . 1 1 12 12 MET CB C 12 33.675 33.675 33.240 0.435 25660 10400 1 20 . 1 1 12 12 MET H H 12 8.047 8.047 7.489 0.558 25660 10401 1 20 . 1 1 13 13 LYS N N 13 113.452 113.452 116.501 -3.049 25660 10402 1 20 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.539 0.396 25660 10403 1 20 . 1 1 13 13 LYS C C 13 177.353 177.353 176.885 0.468 25660 10404 1 20 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.490 -0.230 25660 10405 1 20 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.517 0.682 25660 10406 1 20 . 1 1 13 13 LYS H H 13 9.016 9.016 8.426 0.590 25660 10407 1 20 . 1 1 14 14 CYS N N 14 115.390 115.390 117.305 -1.915 25660 10408 1 20 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.558 0.738 25660 10409 1 20 . 1 1 14 14 CYS C C 14 177.723 177.723 175.793 1.930 25660 10410 1 20 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.700 -5.581 25660 10411 1 20 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.709 8.075 25660 10412 1 20 . 1 1 14 14 CYS H H 14 8.130 8.130 7.834 0.296 25660 10413 1 20 . 1 1 15 15 SER N N 15 114.347 114.347 117.193 -2.846 25660 10414 1 20 . 1 1 15 15 SER HA H 15 3.768 3.768 4.310 -0.542 25660 10415 1 20 . 1 1 15 15 SER C C 15 174.272 174.272 176.052 -1.780 25660 10416 1 20 . 1 1 15 15 SER CA C 15 60.587 60.587 61.051 -0.464 25660 10417 1 20 . 1 1 15 15 SER CB C 15 62.483 62.483 62.978 -0.495 25660 10418 1 20 . 1 1 15 15 SER H H 15 7.297 7.297 8.068 -0.771 25660 10419 1 20 . 1 1 16 16 GLN N N 16 120.608 120.608 118.104 2.504 25660 10420 1 20 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.157 -0.248 25660 10421 1 20 . 1 1 16 16 GLN C C 16 176.559 176.559 176.453 0.106 25660 10422 1 20 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.507 0.431 25660 10423 1 20 . 1 1 16 16 GLN CB C 16 27.900 27.900 27.856 0.044 25660 10424 1 20 . 1 1 16 16 GLN H H 16 8.879 8.879 8.534 0.345 25660 10425 1 20 . 1 1 17 17 CYS N N 17 112.857 112.857 115.125 -2.268 25660 10426 1 20 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.458 -0.374 25660 10427 1 20 . 1 1 17 17 CYS C C 17 171.419 171.419 174.068 -2.649 25660 10428 1 20 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.599 -5.632 25660 10429 1 20 . 1 1 17 17 CYS CB C 17 38.172 38.172 30.197 7.975 25660 10430 1 20 . 1 1 17 17 CYS H H 17 6.805 6.805 7.850 -1.045 25660 10431 1 20 . 1 1 18 18 HIS N N 18 113.603 113.603 119.644 -6.041 25660 10432 1 20 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.167 -1.545 25660 10433 1 20 . 1 1 18 18 HIS CA C 18 53.514 53.514 55.729 -2.215 25660 10434 1 20 . 1 1 18 18 HIS CB C 18 31.916 31.916 32.266 -0.350 25660 10435 1 20 . 1 1 18 18 HIS H H 18 6.223 6.223 8.511 -2.288 25660 10436 1 20 . 1 1 19 19 THR N N 19 109.280 109.280 110.098 -0.818 25660 10437 1 20 . 1 1 19 19 THR HA H 19 4.413 4.413 5.181 -0.768 25660 10438 1 20 . 1 1 19 19 THR C C 19 174.026 174.026 174.633 -0.607 25660 10439 1 20 . 1 1 19 19 THR CA C 19 58.557 58.557 61.249 -2.692 25660 10440 1 20 . 1 1 19 19 THR CB C 19 71.176 71.176 71.206 -0.030 25660 10441 1 20 . 1 1 19 19 THR H H 19 7.636 7.636 8.458 -0.822 25660 10442 1 20 . 1 1 20 20 VAL N N 20 110.620 110.620 118.532 -7.912 25660 10443 1 20 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.625 -0.860 25660 10444 1 20 . 1 1 20 20 VAL C C 20 173.470 173.470 175.429 -1.959 25660 10445 1 20 . 1 1 20 20 VAL CA C 20 60.794 60.794 61.719 -0.925 25660 10446 1 20 . 1 1 20 20 VAL CB C 20 33.427 33.427 31.366 2.061 25660 10447 1 20 . 1 1 20 20 VAL H H 20 7.675 7.675 8.776 -1.101 25660 10448 1 20 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.186 -0.052 25660 10449 1 20 . 1 1 21 21 GLU C C 21 177.538 177.538 175.909 1.629 25660 10450 1 20 . 1 1 21 21 GLU CA C 21 56.452 56.452 56.653 -0.201 25660 10451 1 20 . 1 1 21 21 GLU CB C 21 29.646 29.646 30.531 -0.885 25660 10452 1 20 . 1 1 22 22 LYS N N 22 126.123 126.123 124.746 1.377 25660 10453 1 20 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.903 -0.851 25660 10454 1 20 . 1 1 22 22 LYS C C 22 177.538 177.538 178.343 -0.805 25660 10455 1 20 . 1 1 22 22 LYS CA C 22 57.749 57.749 57.818 -0.069 25660 10456 1 20 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.344 -1.403 25660 10457 1 20 . 1 1 22 22 LYS H H 22 8.717 8.717 8.552 0.165 25660 10458 1 20 . 1 1 23 23 GLY N N 23 117.177 117.177 110.990 6.187 25660 10459 1 20 . 1 1 23 23 GLY C C 23 174.531 174.531 174.384 0.147 25660 10460 1 20 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.772 0.134 25660 10461 1 20 . 1 1 23 23 GLY H H 23 9.078 9.078 8.727 0.351 25660 10462 1 20 . 1 1 24 24 GLY N N 24 107.042 107.042 109.611 -2.569 25660 10463 1 20 . 1 1 24 24 GLY C C 24 172.234 172.234 173.548 -1.314 25660 10464 1 20 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.880 -0.734 25660 10465 1 20 . 1 1 24 24 GLY H H 24 7.730 7.730 7.689 0.041 25660 10466 1 20 . 1 1 25 25 LYS N N 25 118.452 118.452 123.159 -4.707 25660 10467 1 20 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.739 -0.906 25660 10468 1 20 . 1 1 25 25 LYS C C 25 178.209 178.209 175.354 2.855 25660 10469 1 20 . 1 1 25 25 LYS CA C 25 55.712 55.712 55.366 0.346 25660 10470 1 20 . 1 1 25 25 LYS CB C 25 32.861 32.861 35.886 -3.025 25660 10471 1 20 . 1 1 25 25 LYS H H 25 8.222 8.222 8.528 -0.306 25660 10472 1 20 . 1 1 26 26 HIS N N 26 122.465 122.465 124.896 -2.431 25660 10473 1 20 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.711 -0.519 25660 10474 1 20 . 1 1 26 26 HIS C C 26 175.081 175.081 174.921 0.160 25660 10475 1 20 . 1 1 26 26 HIS CA C 26 55.813 55.813 56.512 -0.699 25660 10476 1 20 . 1 1 26 26 HIS CB C 26 30.173 30.173 30.646 -0.473 25660 10477 1 20 . 1 1 26 26 HIS H H 26 8.545 8.545 8.678 -0.133 25660 10478 1 20 . 1 1 27 27 LYS N N 27 126.571 126.571 123.844 2.727 25660 10479 1 20 . 1 1 27 27 LYS HA H 27 4.370 4.370 3.996 0.374 25660 10480 1 20 . 1 1 27 27 LYS C C 27 175.781 175.781 175.987 -0.206 25660 10481 1 20 . 1 1 27 27 LYS CA C 27 55.066 55.066 55.148 -0.082 25660 10482 1 20 . 1 1 27 27 LYS CB C 27 30.731 30.731 33.279 -2.548 25660 10483 1 20 . 1 1 27 27 LYS H H 27 7.439 7.439 7.557 -0.118 25660 10484 1 20 . 1 1 28 28 THR HA H 28 4.017 4.017 4.063 -0.046 25660 10485 1 20 . 1 1 28 28 THR C C 28 174.931 174.931 175.060 -0.129 25660 10486 1 20 . 1 1 28 28 THR CA C 28 67.083 67.083 65.290 1.793 25660 10487 1 20 . 1 1 28 28 THR CB C 28 69.766 69.766 68.685 1.081 25660 10488 1 20 . 1 1 29 29 GLY N N 29 106.150 106.150 106.638 -0.488 25660 10489 1 20 . 1 1 29 29 GLY C C 29 169.328 169.328 171.533 -2.205 25660 10490 1 20 . 1 1 29 29 GLY CA C 29 40.882 40.882 43.002 -2.119 25660 10491 1 20 . 1 1 29 29 GLY H H 29 7.548 7.548 7.195 0.353 25660 10492 1 20 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.782 -1.192 25660 10493 1 20 . 1 1 30 30 PRO CA C 30 60.269 60.269 61.734 -1.465 25660 10494 1 20 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.607 -2.587 25660 10495 1 20 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.579 -0.556 25660 10496 1 20 . 1 1 31 31 ASN C C 31 176.303 176.303 177.326 -1.023 25660 10497 1 20 . 1 1 31 31 ASN CA C 31 54.344 54.344 55.827 -1.483 25660 10498 1 20 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.824 0.961 25660 10499 1 20 . 1 1 31 31 ASN H H 31 10.198 10.198 8.726 1.472 25660 10500 1 20 . 1 1 32 32 LEU N N 32 121.653 121.653 114.219 7.434 25660 10501 1 20 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.872 -0.005 25660 10502 1 20 . 1 1 32 32 LEU C C 32 174.533 174.533 174.983 -0.450 25660 10503 1 20 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.433 -2.146 25660 10504 1 20 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.120 1.400 25660 10505 1 20 . 1 1 32 32 LEU H H 32 7.889 7.889 8.049 -0.160 25660 10506 1 20 . 1 1 33 33 HIS N N 33 119.860 119.860 118.104 1.756 25660 10507 1 20 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.326 -0.619 25660 10508 1 20 . 1 1 33 33 HIS C C 33 176.992 176.992 176.029 0.963 25660 10509 1 20 . 1 1 33 33 HIS CA C 33 60.491 60.491 57.516 2.975 25660 10510 1 20 . 1 1 33 33 HIS CB C 33 28.223 28.223 29.994 -1.771 25660 10511 1 20 . 1 1 33 33 HIS H H 33 7.445 7.445 7.875 -0.430 25660 10512 1 20 . 1 1 34 34 GLY N N 34 114.645 114.645 115.367 -0.722 25660 10513 1 20 . 1 1 34 34 GLY C C 34 174.473 174.473 174.010 0.463 25660 10514 1 20 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.857 -0.144 25660 10515 1 20 . 1 1 34 34 GLY H H 34 8.763 8.763 8.312 0.451 25660 10516 1 20 . 1 1 35 35 LEU N N 35 117.774 117.774 119.858 -2.084 25660 10517 1 20 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.096 -0.569 25660 10518 1 20 . 1 1 35 35 LEU C C 35 176.507 176.507 176.829 -0.322 25660 10519 1 20 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.374 0.085 25660 10520 1 20 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.458 1.350 25660 10521 1 20 . 1 1 35 35 LEU H H 35 7.010 7.010 7.417 -0.407 25660 10522 1 20 . 1 1 36 36 PHE N N 36 113.600 113.600 117.417 -3.817 25660 10523 1 20 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.691 -0.843 25660 10524 1 20 . 1 1 36 36 PHE C C 36 176.553 176.553 176.594 -0.041 25660 10525 1 20 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.609 0.093 25660 10526 1 20 . 1 1 36 36 PHE CB C 36 36.223 36.223 37.718 -1.496 25660 10527 1 20 . 1 1 36 36 PHE H H 36 8.694 8.694 8.263 0.431 25660 10528 1 20 . 1 1 37 37 GLY N N 37 112.857 112.857 112.557 0.300 25660 10529 1 20 . 1 1 37 37 GLY C C 37 173.382 173.382 173.682 -0.300 25660 10530 1 20 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.584 -0.129 25660 10531 1 20 . 1 1 37 37 GLY H H 37 8.839 8.839 8.287 0.552 25660 10532 1 20 . 1 1 38 38 ARG N N 38 124.035 124.035 121.293 2.742 25660 10533 1 20 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.586 -0.137 25660 10534 1 20 . 1 1 38 38 ARG C C 38 174.415 174.415 175.089 -0.674 25660 10535 1 20 . 1 1 38 38 ARG CA C 38 55.764 55.764 55.334 0.430 25660 10536 1 20 . 1 1 38 38 ARG CB C 38 32.411 32.411 31.576 0.834 25660 10537 1 20 . 1 1 38 38 ARG H H 38 8.215 8.215 7.983 0.232 25660 10538 1 20 . 1 1 39 39 LYS N N 39 123.290 123.290 121.993 1.297 25660 10539 1 20 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.370 0.477 25660 10540 1 20 . 1 1 39 39 LYS C C 39 172.219 172.219 175.884 -3.665 25660 10541 1 20 . 1 1 39 39 LYS CA C 39 55.199 55.199 55.705 -0.506 25660 10542 1 20 . 1 1 39 39 LYS CB C 39 33.682 33.682 33.982 -0.300 25660 10543 1 20 . 1 1 39 39 LYS H H 39 8.147 8.147 8.424 -0.277 25660 10544 1 20 . 1 1 40 40 THR N N 40 113.158 113.158 113.956 -0.798 25660 10545 1 20 . 1 1 40 40 THR HA H 40 4.463 4.463 4.583 -0.120 25660 10546 1 20 . 1 1 40 40 THR C C 40 175.638 175.638 174.082 1.556 25660 10547 1 20 . 1 1 40 40 THR CA C 40 61.920 61.920 60.825 1.095 25660 10548 1 20 . 1 1 40 40 THR CB C 40 68.539 68.539 72.290 -3.751 25660 10549 1 20 . 1 1 40 40 THR H H 40 7.804 7.804 8.314 -0.510 25660 10550 1 20 . 1 1 41 41 GLY N N 41 111.811 111.811 108.777 3.034 25660 10551 1 20 . 1 1 41 41 GLY C C 41 174.720 174.720 174.469 0.251 25660 10552 1 20 . 1 1 41 41 GLY CA C 41 46.409 46.409 45.699 0.710 25660 10553 1 20 . 1 1 41 41 GLY H H 41 9.040 9.040 8.718 0.322 25660 10554 1 20 . 1 1 42 42 GLN N N 42 117.180 117.180 119.591 -2.411 25660 10555 1 20 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.549 -0.195 25660 10556 1 20 . 1 1 42 42 GLN C C 42 175.152 175.152 174.645 0.507 25660 10557 1 20 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.475 -0.860 25660 10558 1 20 . 1 1 42 42 GLN CB C 42 28.977 28.977 31.083 -2.106 25660 10559 1 20 . 1 1 42 42 GLN H H 42 8.084 8.084 8.312 -0.228 25660 10560 1 20 . 1 1 43 43 ALA N N 43 125.825 125.825 123.520 2.305 25660 10561 1 20 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.944 -0.408 25660 10562 1 20 . 1 1 43 43 ALA C C 43 175.308 175.308 175.101 0.207 25660 10563 1 20 . 1 1 43 43 ALA CA C 43 49.991 49.991 49.771 0.220 25660 10564 1 20 . 1 1 43 43 ALA CB C 43 18.488 18.488 20.277 -1.789 25660 10565 1 20 . 1 1 43 43 ALA H H 43 8.063 8.063 7.610 0.453 25660 10566 1 20 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.290 0.066 25660 10567 1 20 . 1 1 44 44 PRO C C 44 178.294 178.294 178.484 -0.190 25660 10568 1 20 . 1 1 44 44 PRO CA C 44 63.456 63.456 65.127 -1.671 25660 10569 1 20 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.992 -0.478 25660 10570 1 20 . 1 1 45 45 GLY N N 45 112.024 112.024 105.908 6.116 25660 10571 1 20 . 1 1 45 45 GLY C C 45 173.301 173.301 174.140 -0.839 25660 10572 1 20 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.386 -0.036 25660 10573 1 20 . 1 1 45 45 GLY H H 45 8.831 8.831 8.277 0.554 25660 10574 1 20 . 1 1 46 46 TYR N N 46 120.307 120.307 119.334 0.973 25660 10575 1 20 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.829 -0.637 25660 10576 1 20 . 1 1 46 46 TYR C C 46 174.910 174.910 174.543 0.367 25660 10577 1 20 . 1 1 46 46 TYR CA C 46 57.515 57.515 56.073 1.442 25660 10578 1 20 . 1 1 46 46 TYR CB C 46 39.539 39.539 37.748 1.791 25660 10579 1 20 . 1 1 46 46 TYR H H 46 7.661 7.661 7.621 0.040 25660 10580 1 20 . 1 1 50 50 ALA N N 50 125.381 125.381 127.607 -2.226 25660 10581 1 20 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.689 -0.523 25660 10582 1 20 . 1 1 50 50 ALA C C 50 178.430 178.430 178.733 -0.303 25660 10583 1 20 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.003 0.810 25660 10584 1 20 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.102 -1.160 25660 10585 1 20 . 1 1 50 50 ALA H H 50 8.507 8.507 8.534 -0.027 25660 10586 1 20 . 1 1 51 51 ALA HA H 51 3.993 3.993 4.031 -0.038 25660 10587 1 20 . 1 1 51 51 ALA C C 51 178.634 178.634 179.604 -0.970 25660 10588 1 20 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.619 -0.687 25660 10589 1 20 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.391 -0.142 25660 10590 1 20 . 1 1 52 52 ASN N N 52 117.178 117.178 115.540 1.638 25660 10591 1 20 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.464 -0.135 25660 10592 1 20 . 1 1 52 52 ASN C C 52 176.255 176.255 176.829 -0.574 25660 10593 1 20 . 1 1 52 52 ASN CA C 52 55.769 55.769 56.134 -0.365 25660 10594 1 20 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.548 0.705 25660 10595 1 20 . 1 1 52 52 ASN H H 52 8.286 8.286 7.937 0.349 25660 10596 1 20 . 1 1 53 53 LYS N N 53 120.164 120.164 116.196 3.968 25660 10597 1 20 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.152 -0.424 25660 10598 1 20 . 1 1 53 53 LYS C C 53 177.676 177.676 175.800 1.876 25660 10599 1 20 . 1 1 53 53 LYS CA C 53 58.402 58.402 57.097 1.304 25660 10600 1 20 . 1 1 53 53 LYS CB C 53 32.296 32.296 31.517 0.779 25660 10601 1 20 . 1 1 53 53 LYS H H 53 8.152 8.152 7.469 0.683 25660 10602 1 20 . 1 1 54 54 ASN N N 54 116.286 116.286 117.643 -1.357 25660 10603 1 20 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.729 -0.340 25660 10604 1 20 . 1 1 54 54 ASN C C 54 175.501 175.501 176.110 -0.609 25660 10605 1 20 . 1 1 54 54 ASN CA C 54 53.488 53.488 54.409 -0.921 25660 10606 1 20 . 1 1 54 54 ASN CB C 54 38.101 38.101 40.925 -2.824 25660 10607 1 20 . 1 1 54 54 ASN H H 54 8.553 8.553 7.710 0.843 25660 10608 1 20 . 1 1 55 55 LYS N N 55 121.354 121.354 119.385 1.969 25660 10609 1 20 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.259 -0.227 25660 10610 1 20 . 1 1 55 55 LYS C C 55 177.422 177.422 177.062 0.360 25660 10611 1 20 . 1 1 55 55 LYS CA C 55 56.818 56.818 56.688 0.131 25660 10612 1 20 . 1 1 55 55 LYS CB C 55 31.536 31.536 32.779 -1.243 25660 10613 1 20 . 1 1 55 55 LYS H H 55 7.634 7.634 8.198 -0.564 25660 10614 1 20 . 1 1 56 56 GLY CA C 56 46.052 46.052 43.719 2.333 25660 10615 1 20 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.363 -0.321 25660 10616 1 20 . 1 1 57 57 ILE C C 57 173.923 173.923 175.919 -1.996 25660 10617 1 20 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.053 -0.432 25660 10618 1 20 . 1 1 57 57 ILE CB C 57 38.366 38.366 41.296 -2.930 25660 10619 1 20 . 1 1 58 58 ILE N N 58 121.053 121.053 123.714 -2.661 25660 10620 1 20 . 1 1 58 58 ILE HA H 58 4.082 4.082 3.554 0.528 25660 10621 1 20 . 1 1 58 58 ILE C C 58 177.495 177.495 176.153 1.342 25660 10622 1 20 . 1 1 58 58 ILE CA C 58 58.867 58.867 61.786 -2.919 25660 10623 1 20 . 1 1 58 58 ILE CB C 58 38.504 38.504 38.745 -0.241 25660 10624 1 20 . 1 1 58 58 ILE H H 58 7.988 7.988 8.069 -0.081 25660 10625 1 20 . 1 1 59 59 TRP N N 59 130.896 130.896 128.425 2.471 25660 10626 1 20 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.247 0.582 25660 10627 1 20 . 1 1 59 59 TRP C C 59 175.793 175.793 175.852 -0.059 25660 10628 1 20 . 1 1 59 59 TRP CA C 59 57.229 57.229 57.127 0.102 25660 10629 1 20 . 1 1 59 59 TRP CB C 59 29.908 29.908 28.966 0.942 25660 10630 1 20 . 1 1 59 59 TRP H H 59 8.931 8.931 7.832 1.099 25660 10631 1 20 . 1 1 60 60 GLY N N 60 111.218 111.218 110.362 0.856 25660 10632 1 20 . 1 1 60 60 GLY C C 60 171.636 171.636 173.228 -1.592 25660 10633 1 20 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.348 -1.134 25660 10634 1 20 . 1 1 60 60 GLY H H 60 7.839 7.839 8.313 -0.474 25660 10635 1 20 . 1 1 61 61 GLU N N 61 120.606 120.606 118.728 1.878 25660 10636 1 20 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.128 -0.270 25660 10637 1 20 . 1 1 61 61 GLU C C 61 177.011 177.011 177.927 -0.916 25660 10638 1 20 . 1 1 61 61 GLU CA C 61 62.088 62.088 59.495 2.594 25660 10639 1 20 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.798 -0.434 25660 10640 1 20 . 1 1 61 61 GLU H H 61 9.619 9.619 9.022 0.597 25660 10641 1 20 . 1 1 62 62 ASP N N 62 114.943 114.943 117.589 -2.646 25660 10642 1 20 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.582 -0.248 25660 10643 1 20 . 1 1 62 62 ASP C C 62 179.228 179.228 177.271 1.957 25660 10644 1 20 . 1 1 62 62 ASP CA C 62 57.208 57.208 56.937 0.271 25660 10645 1 20 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.815 -1.338 25660 10646 1 20 . 1 1 62 62 ASP H H 62 8.396 8.396 8.691 -0.295 25660 10647 1 20 . 1 1 63 63 THR N N 63 112.857 112.857 112.597 0.260 25660 10648 1 20 . 1 1 63 63 THR HA H 63 4.116 4.116 4.609 -0.493 25660 10649 1 20 . 1 1 63 63 THR C C 63 177.971 177.971 176.228 1.743 25660 10650 1 20 . 1 1 63 63 THR CA C 63 63.601 63.601 64.009 -0.408 25660 10651 1 20 . 1 1 63 63 THR CB C 63 68.918 68.918 69.682 -0.764 25660 10652 1 20 . 1 1 63 63 THR H H 63 8.246 8.246 7.416 0.830 25660 10653 1 20 . 1 1 64 64 LEU N N 64 121.355 121.355 122.855 -1.500 25660 10654 1 20 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.161 0.072 25660 10655 1 20 . 1 1 64 64 LEU C C 64 178.628 178.628 178.610 0.018 25660 10656 1 20 . 1 1 64 64 LEU CA C 64 58.314 58.314 58.111 0.203 25660 10657 1 20 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.492 0.863 25660 10658 1 20 . 1 1 64 64 LEU H H 64 8.809 8.809 8.404 0.405 25660 10659 1 20 . 1 1 65 65 MET N N 65 118.519 118.519 118.386 0.133 25660 10660 1 20 . 1 1 65 65 MET HA H 65 3.896 3.896 4.089 -0.193 25660 10661 1 20 . 1 1 65 65 MET C C 65 177.782 177.782 177.587 0.195 25660 10662 1 20 . 1 1 65 65 MET CA C 65 57.910 57.910 59.241 -1.331 25660 10663 1 20 . 1 1 65 65 MET CB C 65 31.019 31.019 32.525 -1.506 25660 10664 1 20 . 1 1 65 65 MET H H 65 7.934 7.934 7.807 0.127 25660 10665 1 20 . 1 1 66 66 GLU N N 66 117.027 117.027 117.929 -0.902 25660 10666 1 20 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.006 -0.048 25660 10667 1 20 . 1 1 66 66 GLU C C 66 178.928 178.928 178.569 0.359 25660 10668 1 20 . 1 1 66 66 GLU CA C 66 58.103 58.103 57.952 0.151 25660 10669 1 20 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.021 0.655 25660 10670 1 20 . 1 1 66 66 GLU H H 66 6.795 6.795 7.701 -0.906 25660 10671 1 20 . 1 1 67 67 TYR N N 67 120.608 120.608 122.291 -1.683 25660 10672 1 20 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.195 -0.694 25660 10673 1 20 . 1 1 67 67 TYR C C 67 176.312 176.312 177.464 -1.152 25660 10674 1 20 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.607 -1.696 25660 10675 1 20 . 1 1 67 67 TYR CB C 67 40.118 40.118 39.014 1.104 25660 10676 1 20 . 1 1 67 67 TYR H H 67 8.170 8.170 7.692 0.478 25660 10677 1 20 . 1 1 68 68 LEU N N 68 109.278 109.278 117.396 -8.118 25660 10678 1 20 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.946 -0.960 25660 10679 1 20 . 1 1 68 68 LEU C C 68 176.652 176.652 178.635 -1.983 25660 10680 1 20 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.863 -1.652 25660 10681 1 20 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.405 -0.217 25660 10682 1 20 . 1 1 68 68 LEU H H 68 8.108 8.108 8.631 -0.523 25660 10683 1 20 . 1 1 69 69 GLU N N 69 119.118 119.118 120.016 -0.898 25660 10684 1 20 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.269 -0.409 25660 10685 1 20 . 1 1 69 69 GLU C C 69 176.033 176.033 176.215 -0.182 25660 10686 1 20 . 1 1 69 69 GLU CA C 69 58.526 58.526 58.988 -0.462 25660 10687 1 20 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.504 -0.955 25660 10688 1 20 . 1 1 69 69 GLU H H 69 6.783 6.783 7.993 -1.210 25660 10689 1 20 . 1 1 70 70 ASN N N 70 105.553 105.553 112.227 -6.674 25660 10690 1 20 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.378 -1.247 25660 10691 1 20 . 1 1 70 70 ASN C C 70 172.247 172.247 172.717 -0.470 25660 10692 1 20 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.340 0.025 25660 10693 1 20 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.608 -1.811 25660 10694 1 20 . 1 1 70 70 ASN H H 70 6.092 6.092 7.697 -1.605 25660 10695 1 20 . 1 1 71 71 PRO HA H 71 3.517 3.517 4.158 -0.641 25660 10696 1 20 . 1 1 71 71 PRO C C 71 176.414 176.414 178.016 -1.602 25660 10697 1 20 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.056 0.616 25660 10698 1 20 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.696 -1.761 25660 10699 1 20 . 1 1 72 72 LYS N N 72 113.454 113.454 115.510 -2.056 25660 10700 1 20 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.293 -0.578 25660 10701 1 20 . 1 1 72 72 LYS C C 72 177.234 177.234 178.498 -1.264 25660 10702 1 20 . 1 1 72 72 LYS CA C 72 57.046 57.046 58.342 -1.296 25660 10703 1 20 . 1 1 72 72 LYS CB C 72 31.565 31.565 30.759 0.806 25660 10704 1 20 . 1 1 72 72 LYS H H 72 7.457 7.457 8.652 -1.195 25660 10705 1 20 . 1 1 73 73 LYS N N 73 118.522 118.522 119.355 -0.833 25660 10706 1 20 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.182 -0.392 25660 10707 1 20 . 1 1 73 73 LYS C C 73 176.890 176.890 178.629 -1.739 25660 10708 1 20 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.731 -1.324 25660 10709 1 20 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.624 0.274 25660 10710 1 20 . 1 1 73 73 LYS H H 73 6.855 6.855 7.434 -0.579 25660 10711 1 20 . 1 1 74 74 TYR N N 74 118.674 118.674 119.906 -1.232 25660 10712 1 20 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.360 -0.129 25660 10713 1 20 . 1 1 74 74 TYR C C 74 175.794 175.794 175.608 0.186 25660 10714 1 20 . 1 1 74 74 TYR CA C 74 60.721 60.721 60.993 -0.272 25660 10715 1 20 . 1 1 74 74 TYR CB C 74 39.536 39.536 40.044 -0.508 25660 10716 1 20 . 1 1 74 74 TYR H H 74 7.219 7.219 7.660 -0.441 25660 10717 1 20 . 1 1 75 75 ILE N N 75 114.346 114.346 117.972 -3.626 25660 10718 1 20 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.452 -0.385 25660 10719 1 20 . 1 1 75 75 ILE C C 75 179.773 179.773 173.920 5.853 25660 10720 1 20 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.318 0.156 25660 10721 1 20 . 1 1 75 75 ILE CB C 75 37.615 37.615 40.368 -2.753 25660 10722 1 20 . 1 1 75 75 ILE H H 75 8.189 8.189 8.063 0.126 25660 10723 1 20 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.919 -0.442 25660 10724 1 20 . 1 1 76 76 PRO C C 76 178.583 178.583 176.495 2.088 25660 10725 1 20 . 1 1 76 76 PRO CA C 76 64.021 64.021 62.596 1.425 25660 10726 1 20 . 1 1 76 76 PRO CB C 76 31.137 31.137 30.141 0.996 25660 10727 1 20 . 1 1 77 77 GLY N N 77 108.831 108.831 109.969 -1.138 25660 10728 1 20 . 1 1 77 77 GLY C C 77 174.866 174.866 173.752 1.114 25660 10729 1 20 . 1 1 77 77 GLY CA C 77 44.314 44.314 45.730 -1.416 25660 10730 1 20 . 1 1 77 77 GLY H H 77 8.563 8.563 8.145 0.418 25660 10731 1 20 . 1 1 78 78 THR N N 78 115.541 115.541 112.188 3.353 25660 10732 1 20 . 1 1 78 78 THR HA H 78 4.226 4.226 4.638 -0.412 25660 10733 1 20 . 1 1 78 78 THR C C 78 173.114 173.114 175.085 -1.971 25660 10734 1 20 . 1 1 78 78 THR CA C 78 61.759 61.759 61.011 0.748 25660 10735 1 20 . 1 1 78 78 THR CB C 78 67.910 67.910 70.599 -2.689 25660 10736 1 20 . 1 1 78 78 THR H H 78 7.922 7.922 7.705 0.217 25660 10737 1 20 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.494 -0.113 25660 10738 1 20 . 1 1 79 79 LYS C C 79 175.845 175.845 176.046 -0.201 25660 10739 1 20 . 1 1 79 79 LYS CA C 79 55.526 55.526 56.409 -0.883 25660 10740 1 20 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.979 -0.676 25660 10741 1 20 . 1 1 80 80 MET N N 80 123.515 123.515 121.687 1.828 25660 10742 1 20 . 1 1 80 80 MET HA H 80 2.934 2.934 4.448 -1.514 25660 10743 1 20 . 1 1 80 80 MET C C 80 171.833 171.833 175.023 -3.190 25660 10744 1 20 . 1 1 80 80 MET CA C 80 55.863 55.863 55.670 0.193 25660 10745 1 20 . 1 1 80 80 MET CB C 80 27.552 27.552 32.153 -4.601 25660 10746 1 20 . 1 1 80 80 MET H H 80 7.384 7.384 8.004 -0.620 25660 10747 1 20 . 1 1 81 81 ILE N N 81 130.146 130.146 127.997 2.149 25660 10748 1 20 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.144 -0.659 25660 10749 1 20 . 1 1 81 81 ILE C C 81 173.220 173.220 175.577 -2.357 25660 10750 1 20 . 1 1 81 81 ILE CA C 81 59.285 59.285 61.186 -1.901 25660 10751 1 20 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.736 -1.125 25660 10752 1 20 . 1 1 81 81 ILE H H 81 7.856 7.856 8.337 -0.481 25660 10753 1 20 . 1 1 82 82 PHE N N 82 123.143 123.143 128.792 -5.649 25660 10754 1 20 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.792 -0.465 25660 10755 1 20 . 1 1 82 82 PHE C C 82 174.333 174.333 173.838 0.495 25660 10756 1 20 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.197 -0.619 25660 10757 1 20 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.693 -2.049 25660 10758 1 20 . 1 1 82 82 PHE H H 82 6.529 6.529 8.061 -1.532 25660 10759 1 20 . 1 1 83 83 VAL N N 83 125.079 125.079 124.011 1.068 25660 10760 1 20 . 1 1 83 83 VAL HA H 83 3.286 3.286 4.044 -0.758 25660 10761 1 20 . 1 1 83 83 VAL C C 83 174.444 174.444 176.150 -1.706 25660 10762 1 20 . 1 1 83 83 VAL CA C 83 64.273 64.273 63.303 0.971 25660 10763 1 20 . 1 1 83 83 VAL CB C 83 31.352 31.352 32.146 -0.794 25660 10764 1 20 . 1 1 83 83 VAL H H 83 7.739 7.739 7.985 -0.246 25660 10765 1 20 . 1 1 84 84 GLY C C 84 172.113 172.113 172.943 -0.830 25660 10766 1 20 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.583 -1.747 25660 10767 1 20 . 1 1 85 85 ILE N N 85 120.758 120.758 121.317 -0.559 25660 10768 1 20 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.509 -0.373 25660 10769 1 20 . 1 1 85 85 ILE C C 85 175.103 175.103 175.462 -0.359 25660 10770 1 20 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.584 -1.194 25660 10771 1 20 . 1 1 85 85 ILE CB C 85 39.528 39.528 39.038 0.490 25660 10772 1 20 . 1 1 85 85 ILE H H 85 8.327 8.327 8.639 -0.312 25660 10773 1 20 . 1 1 86 86 LYS N N 86 127.466 127.466 127.527 -0.061 25660 10774 1 20 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.161 -0.189 25660 10775 1 20 . 1 1 86 86 LYS C C 86 178.442 178.442 176.767 1.675 25660 10776 1 20 . 1 1 86 86 LYS CA C 86 58.619 58.619 57.866 0.753 25660 10777 1 20 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.781 -0.438 25660 10778 1 20 . 1 1 86 86 LYS H H 86 8.518 8.518 8.677 -0.159 25660 10779 1 20 . 1 1 87 87 LYS N N 87 120.309 120.309 121.025 -0.716 25660 10780 1 20 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.329 -0.082 25660 10781 1 20 . 1 1 87 87 LYS C C 87 177.569 177.569 177.167 0.402 25660 10782 1 20 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.389 1.476 25660 10783 1 20 . 1 1 87 87 LYS CB C 87 32.531 32.531 32.507 0.024 25660 10784 1 20 . 1 1 87 87 LYS H H 87 8.368 8.368 8.173 0.195 25660 10785 1 20 . 1 1 88 88 LYS N N 88 129.999 129.999 127.611 2.388 25660 10786 1 20 . 1 1 88 88 LYS HA H 88 3.562 3.562 3.871 -0.309 25660 10787 1 20 . 1 1 88 88 LYS C C 88 177.664 177.664 178.364 -0.700 25660 10788 1 20 . 1 1 88 88 LYS CA C 88 60.314 60.314 60.280 0.034 25660 10789 1 20 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.552 -0.469 25660 10790 1 20 . 1 1 88 88 LYS H H 88 9.151 9.151 9.048 0.103 25660 10791 1 20 . 1 1 89 89 GLU N N 89 117.925 117.925 119.042 -1.117 25660 10792 1 20 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.087 -0.188 25660 10793 1 20 . 1 1 89 89 GLU C C 89 177.911 177.911 178.503 -0.592 25660 10794 1 20 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.883 -0.123 25660 10795 1 20 . 1 1 89 89 GLU CB C 89 28.814 28.814 29.220 -0.406 25660 10796 1 20 . 1 1 89 89 GLU H H 89 9.462 9.462 8.784 0.678 25660 10797 1 20 . 1 1 90 90 GLU N N 90 116.437 116.437 118.864 -2.427 25660 10798 1 20 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.025 0.173 25660 10799 1 20 . 1 1 90 90 GLU C C 90 178.730 178.730 179.390 -0.660 25660 10800 1 20 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.557 -1.280 25660 10801 1 20 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.371 0.619 25660 10802 1 20 . 1 1 90 90 GLU H H 90 6.347 6.347 8.513 -2.166 25660 10803 1 20 . 1 1 91 91 ARG N N 91 117.405 117.405 118.497 -1.092 25660 10804 1 20 . 1 1 91 91 ARG HA H 91 3.740 3.740 3.928 -0.188 25660 10805 1 20 . 1 1 91 91 ARG C C 91 177.430 177.430 178.572 -1.142 25660 10806 1 20 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.944 1.238 25660 10807 1 20 . 1 1 91 91 ARG CB C 91 31.106 31.106 30.170 0.936 25660 10808 1 20 . 1 1 91 91 ARG H H 91 7.423 7.423 8.387 -0.964 25660 10809 1 20 . 1 1 92 92 ALA N N 92 120.161 120.161 121.933 -1.772 25660 10810 1 20 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.178 -0.208 25660 10811 1 20 . 1 1 92 92 ALA C C 92 181.044 181.044 179.755 1.289 25660 10812 1 20 . 1 1 92 92 ALA CA C 92 55.281 55.281 55.005 0.276 25660 10813 1 20 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.145 -0.606 25660 10814 1 20 . 1 1 92 92 ALA H H 92 8.668 8.668 7.902 0.766 25660 10815 1 20 . 1 1 93 93 ASP N N 93 122.101 122.101 120.545 1.556 25660 10816 1 20 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.479 -0.271 25660 10817 1 20 . 1 1 93 93 ASP C C 93 177.634 177.634 178.546 -0.912 25660 10818 1 20 . 1 1 93 93 ASP CA C 93 58.147 58.147 58.236 -0.089 25660 10819 1 20 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.765 -1.213 25660 10820 1 20 . 1 1 93 93 ASP H H 93 8.153 8.153 8.229 -0.076 25660 10821 1 20 . 1 1 94 94 LEU N N 94 121.208 121.208 121.828 -0.620 25660 10822 1 20 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.154 0.051 25660 10823 1 20 . 1 1 94 94 LEU C C 94 178.395 178.395 178.985 -0.590 25660 10824 1 20 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.133 0.162 25660 10825 1 20 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.272 -0.561 25660 10826 1 20 . 1 1 94 94 LEU H H 94 8.183 8.183 8.283 -0.100 25660 10827 1 20 . 1 1 95 95 ILE N N 95 120.159 120.159 118.497 1.662 25660 10828 1 20 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.640 -0.031 25660 10829 1 20 . 1 1 95 95 ILE C C 95 176.351 176.351 177.636 -1.285 25660 10830 1 20 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.351 0.871 25660 10831 1 20 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.646 0.022 25660 10832 1 20 . 1 1 95 95 ILE H H 95 8.974 8.974 8.257 0.717 25660 10833 1 20 . 1 1 96 96 ALA N N 96 123.001 123.001 123.058 -0.057 25660 10834 1 20 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.912 0.114 25660 10835 1 20 . 1 1 96 96 ALA C C 96 180.700 180.700 179.222 1.478 25660 10836 1 20 . 1 1 96 96 ALA CA C 96 54.933 54.933 55.054 -0.121 25660 10837 1 20 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.220 -1.250 25660 10838 1 20 . 1 1 96 96 ALA H H 96 7.974 7.974 7.889 0.085 25660 10839 1 20 . 1 1 97 97 TYR N N 97 118.224 118.224 120.018 -1.794 25660 10840 1 20 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.068 0.129 25660 10841 1 20 . 1 1 97 97 TYR C C 97 176.278 176.278 177.367 -1.089 25660 10842 1 20 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.915 1.541 25660 10843 1 20 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.205 -1.262 25660 10844 1 20 . 1 1 97 97 TYR H H 97 8.089 8.089 8.113 -0.024 25660 10845 1 20 . 1 1 98 98 LEU N N 98 119.118 119.118 118.724 0.394 25660 10846 1 20 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.291 0.043 25660 10847 1 20 . 1 1 98 98 LEU C C 98 179.188 179.188 179.000 0.188 25660 10848 1 20 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.814 -0.164 25660 10849 1 20 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.411 0.234 25660 10850 1 20 . 1 1 98 98 LEU H H 98 8.982 8.982 8.536 0.446 25660 10851 1 20 . 1 1 99 99 LYS N N 99 123.889 123.889 117.902 5.987 25660 10852 1 20 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.552 -1.003 25660 10853 1 20 . 1 1 99 99 LYS C C 99 176.653 176.653 177.609 -0.956 25660 10854 1 20 . 1 1 99 99 LYS CA C 99 59.190 59.190 58.146 1.044 25660 10855 1 20 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.821 0.048 25660 10856 1 20 . 1 1 99 99 LYS H H 99 8.945 8.945 7.815 1.130 25660 10857 1 20 . 1 1 100 100 LYS N N 100 116.726 116.726 118.723 -1.997 25660 10858 1 20 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.117 -0.141 25660 10859 1 20 . 1 1 100 100 LYS C C 100 178.363 178.363 177.235 1.128 25660 10860 1 20 . 1 1 100 100 LYS CA C 100 57.655 57.655 57.414 0.241 25660 10861 1 20 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.866 0.309 25660 10862 1 20 . 1 1 100 100 LYS H H 100 6.724 6.724 7.344 -0.620 25660 10863 1 20 . 1 1 101 101 ALA N N 101 119.416 119.416 117.695 1.721 25660 10864 1 20 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.472 -0.677 25660 10865 1 20 . 1 1 101 101 ALA C C 101 179.576 179.576 178.600 0.976 25660 10866 1 20 . 1 1 101 101 ALA CA C 101 54.401 54.401 53.175 1.226 25660 10867 1 20 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.798 -1.445 25660 10868 1 20 . 1 1 101 101 ALA H H 101 8.539 8.539 7.953 0.586 25660 10869 1 20 . 1 1 102 102 THR N N 102 101.974 101.974 108.799 -6.825 25660 10870 1 20 . 1 1 102 102 THR HA H 102 4.157 4.157 3.379 0.778 25660 10871 1 20 . 1 1 102 102 THR C C 102 172.872 172.872 174.338 -1.466 25660 10872 1 20 . 1 1 102 102 THR CA C 102 61.954 61.954 63.346 -1.392 25660 10873 1 20 . 1 1 102 102 THR CB C 102 69.403 69.403 69.153 0.251 25660 10874 1 20 . 1 1 102 102 THR H H 102 7.810 7.810 7.896 -0.086 25660 10875 1 20 . 1 1 103 103 ASN N N 103 118.372 118.372 117.304 1.068 25660 10876 1 20 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.768 -0.001 25660 10877 1 20 . 1 1 103 103 ASN C C 103 173.663 173.663 175.199 -1.536 25660 10878 1 20 . 1 1 103 103 ASN CA C 103 52.469 52.469 52.202 0.267 25660 10879 1 20 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.628 2.748 25660 10880 1 20 . 1 1 103 103 ASN H H 103 6.968 6.968 7.918 -0.950 25660 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 87 3.214 -0.186 3.227 25660 2 1 1 "Average Difference" HA 111 0.664 0.346 0.569 25660 3 1 1 "Average Difference" C 96 1.433 0.088 1.438 25660 4 1 1 "Average Difference" CA 99 1.482 0.004 1.490 25660 5 1 1 "Average Difference" CB 87 1.822 0.229 1.819 25660 6 1 1 "Average Difference" HN 88 0.751 0.035 0.754 25660 7 1 2 "Average Difference" N 87 3.078 -0.130 3.093 25660 8 1 2 "Average Difference" HA 111 0.641 0.312 0.562 25660 9 1 2 "Average Difference" C 96 1.490 0.119 1.493 25660 10 1 2 "Average Difference" CA 99 1.344 0.098 1.348 25660 11 1 2 "Average Difference" CB 87 1.931 0.347 1.911 25660 12 1 2 "Average Difference" HN 88 0.678 0.002 0.682 25660 13 1 3 "Average Difference" N 87 3.150 -0.117 3.166 25660 14 1 3 "Average Difference" HA 111 0.643 0.306 0.568 25660 15 1 3 "Average Difference" C 96 1.364 0.200 1.356 25660 16 1 3 "Average Difference" CA 99 1.402 0.119 1.404 25660 17 1 3 "Average Difference" CB 87 1.807 0.381 1.777 25660 18 1 3 "Average Difference" HN 88 0.700 0.013 0.704 25660 19 1 4 "Average Difference" N 87 3.302 0.031 3.321 25660 20 1 4 "Average Difference" HA 111 0.670 0.316 0.593 25660 21 1 4 "Average Difference" C 96 1.468 0.189 1.463 25660 22 1 4 "Average Difference" CA 99 1.487 0.159 1.486 25660 23 1 4 "Average Difference" CB 87 1.835 0.305 1.820 25660 24 1 4 "Average Difference" HN 88 0.692 0.072 0.692 25660 25 1 5 "Average Difference" N 87 3.558 -0.164 3.575 25660 26 1 5 "Average Difference" HA 111 0.633 0.300 0.560 25660 27 1 5 "Average Difference" C 96 1.500 0.176 1.497 25660 28 1 5 "Average Difference" CA 99 1.419 0.094 1.423 25660 29 1 5 "Average Difference" CB 87 1.822 0.208 1.820 25660 30 1 5 "Average Difference" HN 88 0.693 0.009 0.697 25660 31 1 6 "Average Difference" N 87 3.115 -0.119 3.131 25660 32 1 6 "Average Difference" HA 111 0.654 0.323 0.571 25660 33 1 6 "Average Difference" C 96 1.443 0.175 1.440 25660 34 1 6 "Average Difference" CA 99 1.332 0.060 1.338 25660 35 1 6 "Average Difference" CB 87 1.825 0.282 1.814 25660 36 1 6 "Average Difference" HN 88 0.677 0.088 0.675 25660 37 1 7 "Average Difference" N 87 3.059 0.268 3.065 25660 38 1 7 "Average Difference" HA 111 0.659 0.324 0.576 25660 39 1 7 "Average Difference" C 96 1.469 0.258 1.454 25660 40 1 7 "Average Difference" CA 99 1.472 0.130 1.473 25660 41 1 7 "Average Difference" CB 87 1.804 0.204 1.802 25660 42 1 7 "Average Difference" HN 88 0.665 0.088 0.663 25660 43 1 8 "Average Difference" N 87 2.989 0.161 3.002 25660 44 1 8 "Average Difference" HA 111 0.654 0.328 0.568 25660 45 1 8 "Average Difference" C 96 1.464 0.187 1.459 25660 46 1 8 "Average Difference" CA 99 1.413 0.087 1.417 25660 47 1 8 "Average Difference" CB 87 1.861 0.273 1.851 25660 48 1 8 "Average Difference" HN 88 0.664 0.069 0.664 25660 49 1 9 "Average Difference" N 87 2.842 0.390 2.832 25660 50 1 9 "Average Difference" HA 111 0.676 0.337 0.588 25660 51 1 9 "Average Difference" C 96 1.389 0.192 1.383 25660 52 1 9 "Average Difference" CA 99 1.437 0.106 1.441 25660 53 1 9 "Average Difference" CB 87 1.835 0.277 1.825 25660 54 1 9 "Average Difference" HN 88 0.748 0.080 0.748 25660 55 1 10 "Average Difference" N 87 3.235 -0.114 3.251 25660 56 1 10 "Average Difference" HA 111 0.645 0.319 0.563 25660 57 1 10 "Average Difference" C 96 1.424 0.154 1.423 25660 58 1 10 "Average Difference" CA 99 1.504 0.099 1.508 25660 59 1 10 "Average Difference" CB 87 1.844 0.326 1.825 25660 60 1 10 "Average Difference" HN 88 0.708 0.046 0.711 25660 61 1 11 "Average Difference" N 87 3.253 0.337 3.255 25660 62 1 11 "Average Difference" HA 111 0.645 0.309 0.569 25660 63 1 11 "Average Difference" C 96 1.419 0.218 1.409 25660 64 1 11 "Average Difference" CA 99 1.392 0.151 1.391 25660 65 1 11 "Average Difference" CB 87 1.808 0.209 1.806 25660 66 1 11 "Average Difference" HN 88 0.713 -0.003 0.717 25660 67 1 12 "Average Difference" N 87 2.928 0.108 2.943 25660 68 1 12 "Average Difference" HA 111 0.637 0.302 0.563 25660 69 1 12 "Average Difference" C 96 1.457 0.139 1.458 25660 70 1 12 "Average Difference" CA 99 1.410 0.102 1.413 25660 71 1 12 "Average Difference" CB 87 1.850 0.280 1.839 25660 72 1 12 "Average Difference" HN 88 0.724 0.068 0.725 25660 73 1 13 "Average Difference" N 87 3.072 0.140 3.087 25660 74 1 13 "Average Difference" HA 111 0.633 0.297 0.562 25660 75 1 13 "Average Difference" C 96 1.458 0.207 1.451 25660 76 1 13 "Average Difference" CA 99 1.383 0.166 1.380 25660 77 1 13 "Average Difference" CB 87 1.772 0.342 1.748 25660 78 1 13 "Average Difference" HN 88 0.705 0.027 0.709 25660 79 1 14 "Average Difference" N 87 3.233 0.321 3.236 25660 80 1 14 "Average Difference" HA 111 0.657 0.334 0.568 25660 81 1 14 "Average Difference" C 96 1.403 0.153 1.402 25660 82 1 14 "Average Difference" CA 99 1.416 0.063 1.422 25660 83 1 14 "Average Difference" CB 87 1.841 0.321 1.823 25660 84 1 14 "Average Difference" HN 88 0.722 0.078 0.722 25660 85 1 15 "Average Difference" N 87 3.018 0.270 3.024 25660 86 1 15 "Average Difference" HA 111 0.672 0.318 0.594 25660 87 1 15 "Average Difference" C 96 1.409 0.214 1.400 25660 88 1 15 "Average Difference" CA 99 1.450 0.123 1.452 25660 89 1 15 "Average Difference" CB 87 1.714 0.184 1.714 25660 90 1 15 "Average Difference" HN 88 0.703 0.066 0.704 25660 91 1 16 "Average Difference" N 87 3.303 0.296 3.309 25660 92 1 16 "Average Difference" HA 111 0.651 0.309 0.576 25660 93 1 16 "Average Difference" C 96 1.502 0.166 1.500 25660 94 1 16 "Average Difference" CA 99 1.366 0.197 1.358 25660 95 1 16 "Average Difference" CB 87 1.736 0.188 1.736 25660 96 1 16 "Average Difference" HN 88 0.699 0.048 0.701 25660 97 1 17 "Average Difference" N 87 3.235 -0.232 3.245 25660 98 1 17 "Average Difference" HA 111 0.632 0.301 0.558 25660 99 1 17 "Average Difference" C 96 1.452 0.206 1.445 25660 100 1 17 "Average Difference" CA 99 1.422 0.198 1.415 25660 101 1 17 "Average Difference" CB 87 1.761 0.217 1.758 25660 102 1 17 "Average Difference" HN 88 0.711 0.021 0.715 25660 103 1 18 "Average Difference" N 87 3.253 0.512 3.231 25660 104 1 18 "Average Difference" HA 111 0.661 0.324 0.579 25660 105 1 18 "Average Difference" C 96 1.460 0.198 1.455 25660 106 1 18 "Average Difference" CA 99 1.368 0.117 1.370 25660 107 1 18 "Average Difference" CB 87 1.928 0.335 1.909 25660 108 1 18 "Average Difference" HN 88 0.729 0.038 0.732 25660 109 1 19 "Average Difference" N 87 3.311 0.372 3.309 25660 110 1 19 "Average Difference" HA 111 0.634 0.300 0.561 25660 111 1 19 "Average Difference" C 96 1.480 0.120 1.483 25660 112 1 19 "Average Difference" CA 99 1.464 0.183 1.460 25660 113 1 19 "Average Difference" CB 87 1.724 0.200 1.722 25660 114 1 19 "Average Difference" HN 88 0.692 0.014 0.696 25660 115 1 20 "Average Difference" N 87 3.012 0.206 3.022 25660 116 1 20 "Average Difference" HA 111 0.663 0.320 0.583 25660 117 1 20 "Average Difference" C 96 1.398 0.194 1.392 25660 118 1 20 "Average Difference" CA 99 1.396 0.188 1.391 25660 119 1 20 "Average Difference" CB 87 1.843 0.287 1.832 25660 120 1 20 "Average Difference" HN 88 0.688 0.055 0.690 25660 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 25660 _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 ASP N N 2 124.691 124.691 121.004 3.688 25660 2 1 . 1 1 2 2 ASP HA H 2 4.775 4.775 4.926 -0.151 25660 3 1 . 1 1 2 2 ASP C C 2 175.662 175.662 175.657 0.005 25660 4 1 . 1 1 2 2 ASP CA C 2 52.772 52.772 52.599 0.173 25660 5 1 . 1 1 2 2 ASP CB C 2 42.313 42.313 43.120 -0.807 25660 6 1 . 1 1 2 2 ASP H H 2 9.541 9.541 8.619 0.922 25660 7 1 . 1 1 3 3 VAL N N 3 123.739 123.739 118.591 5.148 25660 8 1 . 1 1 3 3 VAL HA H 3 3.550 3.550 3.924 -0.374 25660 9 1 . 1 1 3 3 VAL C C 3 177.302 177.302 177.426 -0.124 25660 10 1 . 1 1 3 3 VAL CA C 3 65.946 65.946 65.574 0.372 25660 11 1 . 1 1 3 3 VAL CB C 3 31.965 31.965 32.106 -0.141 25660 12 1 . 1 1 3 3 VAL H H 3 8.569 8.569 8.365 0.204 25660 13 1 . 1 1 4 4 GLU N N 4 120.310 120.310 119.393 0.917 25660 14 1 . 1 1 4 4 GLU HA H 4 4.008 4.008 4.040 -0.032 25660 15 1 . 1 1 4 4 GLU C C 4 180.515 180.515 179.057 1.458 25660 16 1 . 1 1 4 4 GLU CA C 4 58.963 58.963 59.187 -0.224 25660 17 1 . 1 1 4 4 GLU CB C 4 28.479 28.479 29.384 -0.905 25660 18 1 . 1 1 4 4 GLU H H 4 8.083 8.083 8.218 -0.135 25660 19 1 . 1 1 5 5 LYS N N 5 121.058 121.058 118.679 2.379 25660 20 1 . 1 1 5 5 LYS HA H 5 3.899 3.899 4.130 -0.231 25660 21 1 . 1 1 5 5 LYS C C 5 180.515 180.515 178.996 1.519 25660 22 1 . 1 1 5 5 LYS CA C 5 59.459 59.459 58.085 1.374 25660 23 1 . 1 1 5 5 LYS CB C 5 32.454 32.454 32.111 0.343 25660 24 1 . 1 1 5 5 LYS H H 5 8.096 8.096 7.863 0.233 25660 25 1 . 1 1 6 6 GLY N N 6 107.193 107.193 107.361 -0.168 25660 26 1 . 1 1 6 6 GLY C C 6 174.012 174.012 175.806 -1.794 25660 27 1 . 1 1 6 6 GLY CA C 6 46.479 46.479 46.623 -0.144 25660 28 1 . 1 1 6 6 GLY H H 6 8.709 8.709 8.074 0.635 25660 29 1 . 1 1 7 7 LYS N N 7 124.124 124.124 121.155 2.969 25660 30 1 . 1 1 7 7 LYS HA H 7 2.160 2.160 3.178 -1.018 25660 31 1 . 1 1 7 7 LYS C C 7 177.457 177.457 178.589 -1.132 25660 32 1 . 1 1 7 7 LYS CA C 7 59.052 59.052 59.428 -0.376 25660 33 1 . 1 1 7 7 LYS CB C 7 32.105 32.105 31.730 0.375 25660 34 1 . 1 1 7 7 LYS H H 7 8.039 8.039 8.001 0.038 25660 35 1 . 1 1 8 8 LYS N N 8 116.732 116.732 118.067 -1.335 25660 36 1 . 1 1 8 8 LYS HA H 8 3.815 3.815 4.087 -0.272 25660 37 1 . 1 1 8 8 LYS C C 8 179.228 179.228 178.983 0.245 25660 38 1 . 1 1 8 8 LYS CA C 8 59.322 59.322 58.650 0.672 25660 39 1 . 1 1 8 8 LYS CB C 8 31.815 31.815 31.902 -0.087 25660 40 1 . 1 1 8 8 LYS H H 8 6.958 6.958 7.629 -0.671 25660 41 1 . 1 1 9 9 ILE N N 9 119.269 119.269 119.686 -0.417 25660 42 1 . 1 1 9 9 ILE HA H 9 3.719 3.719 3.964 -0.245 25660 43 1 . 1 1 9 9 ILE C C 9 177.006 177.006 177.787 -0.781 25660 44 1 . 1 1 9 9 ILE CA C 9 65.105 65.105 62.250 2.855 25660 45 1 . 1 1 9 9 ILE CB C 9 37.562 37.562 37.087 0.475 25660 46 1 . 1 1 9 9 ILE H H 9 7.681 7.681 7.485 0.196 25660 47 1 . 1 1 10 10 PHE N N 10 120.908 120.908 121.948 -1.040 25660 48 1 . 1 1 10 10 PHE HA H 10 3.973 3.973 4.337 -0.364 25660 49 1 . 1 1 10 10 PHE C C 10 178.820 178.820 178.052 0.768 25660 50 1 . 1 1 10 10 PHE CA C 10 62.164 62.164 61.837 0.327 25660 51 1 . 1 1 10 10 PHE CB C 10 39.377 39.377 39.501 -0.124 25660 52 1 . 1 1 10 10 PHE H H 10 8.635 8.635 7.780 0.855 25660 53 1 . 1 1 11 11 ILE N N 11 121.053 121.053 118.518 2.535 25660 54 1 . 1 1 11 11 ILE HA H 11 3.316 3.316 3.765 -0.449 25660 55 1 . 1 1 11 11 ILE C C 11 178.867 178.867 177.490 1.377 25660 56 1 . 1 1 11 11 ILE CA C 11 65.622 65.622 64.748 0.874 25660 57 1 . 1 1 11 11 ILE CB C 11 37.617 37.617 37.969 -0.352 25660 58 1 . 1 1 11 11 ILE H H 11 8.834 8.834 8.543 0.291 25660 59 1 . 1 1 12 12 MET N N 12 117.328 117.328 118.221 -0.893 25660 60 1 . 1 1 12 12 MET HA H 12 4.219 4.219 4.262 -0.043 25660 61 1 . 1 1 12 12 MET C C 12 177.972 177.972 177.409 0.563 25660 62 1 . 1 1 12 12 MET CA C 12 58.560 58.560 58.073 0.487 25660 63 1 . 1 1 12 12 MET CB C 12 33.675 33.675 33.248 0.427 25660 64 1 . 1 1 12 12 MET H H 12 8.047 8.047 7.693 0.354 25660 65 1 . 1 1 13 13 LYS N N 13 113.452 113.452 115.395 -1.943 25660 66 1 . 1 1 13 13 LYS HA H 13 4.935 4.935 4.475 0.460 25660 67 1 . 1 1 13 13 LYS C C 13 177.353 177.353 177.088 0.265 25660 68 1 . 1 1 13 13 LYS CA C 13 57.260 57.260 57.638 -0.378 25660 69 1 . 1 1 13 13 LYS CB C 13 35.199 35.199 34.617 0.582 25660 70 1 . 1 1 13 13 LYS H H 13 9.016 9.016 8.061 0.955 25660 71 1 . 1 1 14 14 CYS N N 14 115.390 115.390 117.294 -1.904 25660 72 1 . 1 1 14 14 CYS HA H 14 5.296 5.296 4.527 0.769 25660 73 1 . 1 1 14 14 CYS C C 14 177.723 177.723 175.743 1.980 25660 74 1 . 1 1 14 14 CYS CA C 14 54.119 54.119 59.641 -5.522 25660 75 1 . 1 1 14 14 CYS CB C 14 36.784 36.784 28.934 7.850 25660 76 1 . 1 1 14 14 CYS H H 14 8.130 8.130 8.251 -0.121 25660 77 1 . 1 1 15 15 SER N N 15 114.347 114.347 117.679 -3.332 25660 78 1 . 1 1 15 15 SER HA H 15 3.768 3.768 4.152 -0.384 25660 79 1 . 1 1 15 15 SER C C 15 174.272 174.272 175.908 -1.636 25660 80 1 . 1 1 15 15 SER CA C 15 60.587 60.587 61.326 -0.739 25660 81 1 . 1 1 15 15 SER CB C 15 62.483 62.483 63.204 -0.721 25660 82 1 . 1 1 15 15 SER H H 15 7.297 7.297 8.082 -0.785 25660 83 1 . 1 1 16 16 GLN N N 16 120.608 120.608 117.801 2.807 25660 84 1 . 1 1 16 16 GLN HA H 16 3.909 3.909 4.143 -0.234 25660 85 1 . 1 1 16 16 GLN C C 16 176.559 176.559 176.509 0.050 25660 86 1 . 1 1 16 16 GLN CA C 16 57.938 57.938 57.916 0.022 25660 87 1 . 1 1 16 16 GLN CB C 16 27.900 27.900 28.277 -0.378 25660 88 1 . 1 1 16 16 GLN H H 16 8.879 8.879 8.520 0.359 25660 89 1 . 1 1 17 17 CYS N N 17 112.857 112.857 115.137 -2.280 25660 90 1 . 1 1 17 17 CYS HA H 17 4.084 4.084 4.651 -0.567 25660 91 1 . 1 1 17 17 CYS C C 17 171.419 171.419 174.416 -2.997 25660 92 1 . 1 1 17 17 CYS CA C 17 53.967 53.967 59.338 -5.371 25660 93 1 . 1 1 17 17 CYS CB C 17 38.172 38.172 29.814 8.358 25660 94 1 . 1 1 17 17 CYS H H 17 6.805 6.805 7.858 -1.053 25660 95 1 . 1 1 18 18 HIS N N 18 113.603 113.603 118.922 -5.319 25660 96 1 . 1 1 18 18 HIS HA H 18 3.622 3.622 5.279 -1.657 25660 97 1 . 1 1 18 18 HIS CA C 18 53.514 53.514 55.904 -2.390 25660 98 1 . 1 1 18 18 HIS CB C 18 31.916 31.916 32.242 -0.326 25660 99 1 . 1 1 18 18 HIS H H 18 6.223 6.223 8.258 -2.035 25660 100 1 . 1 1 19 19 THR N N 19 109.280 109.280 112.879 -3.599 25660 101 1 . 1 1 19 19 THR HA H 19 4.413 4.413 4.934 -0.521 25660 102 1 . 1 1 19 19 THR C C 19 174.026 174.026 173.945 0.081 25660 103 1 . 1 1 19 19 THR CA C 19 58.557 58.557 61.140 -2.583 25660 104 1 . 1 1 19 19 THR CB C 19 71.176 71.176 71.332 -0.156 25660 105 1 . 1 1 19 19 THR H H 19 7.636 7.636 8.341 -0.705 25660 106 1 . 1 1 20 20 VAL N N 20 110.620 110.620 116.967 -6.347 25660 107 1 . 1 1 20 20 VAL HA H 20 3.765 3.765 4.749 -0.984 25660 108 1 . 1 1 20 20 VAL C C 20 173.470 173.470 175.000 -1.530 25660 109 1 . 1 1 20 20 VAL CA C 20 60.794 60.794 60.609 0.185 25660 110 1 . 1 1 20 20 VAL CB C 20 33.427 33.427 31.928 1.498 25660 111 1 . 1 1 20 20 VAL H H 20 7.675 7.675 8.554 -0.879 25660 112 1 . 1 1 21 21 GLU HA H 21 4.134 4.134 4.363 -0.229 25660 113 1 . 1 1 21 21 GLU C C 21 177.538 177.538 176.075 1.464 25660 114 1 . 1 1 21 21 GLU CA C 21 56.452 56.452 55.505 0.947 25660 115 1 . 1 1 21 21 GLU CB C 21 29.646 29.646 31.427 -1.781 25660 116 1 . 1 1 22 22 LYS N N 22 126.123 126.123 125.779 0.344 25660 117 1 . 1 1 22 22 LYS HA H 22 3.052 3.052 3.800 -0.748 25660 118 1 . 1 1 22 22 LYS C C 22 177.538 177.538 177.455 0.083 25660 119 1 . 1 1 22 22 LYS CA C 22 57.749 57.749 57.587 0.161 25660 120 1 . 1 1 22 22 LYS CB C 22 30.941 30.941 32.095 -1.154 25660 121 1 . 1 1 22 22 LYS H H 22 8.717 8.717 8.646 0.071 25660 122 1 . 1 1 23 23 GLY N N 23 117.177 117.177 111.521 5.656 25660 123 1 . 1 1 23 23 GLY C C 23 174.531 174.531 174.255 0.276 25660 124 1 . 1 1 23 23 GLY CA C 23 44.906 44.906 44.713 0.193 25660 125 1 . 1 1 23 23 GLY H H 23 9.078 9.078 8.614 0.464 25660 126 1 . 1 1 24 24 GLY N N 24 107.042 107.042 108.813 -1.771 25660 127 1 . 1 1 24 24 GLY C C 24 172.234 172.234 173.466 -1.232 25660 128 1 . 1 1 24 24 GLY CA C 24 44.146 44.146 44.881 -0.735 25660 129 1 . 1 1 24 24 GLY H H 24 7.730 7.730 7.721 0.009 25660 130 1 . 1 1 25 25 LYS N N 25 118.452 118.452 121.181 -2.729 25660 131 1 . 1 1 25 25 LYS HA H 25 3.833 3.833 4.526 -0.694 25660 132 1 . 1 1 25 25 LYS C C 25 178.209 178.209 175.190 3.019 25660 133 1 . 1 1 25 25 LYS CA C 25 55.712 55.712 55.075 0.637 25660 134 1 . 1 1 25 25 LYS CB C 25 32.861 32.861 35.448 -2.587 25660 135 1 . 1 1 25 25 LYS H H 25 8.222 8.222 8.359 -0.137 25660 136 1 . 1 1 26 26 HIS N N 26 122.465 122.465 120.422 2.043 25660 137 1 . 1 1 26 26 HIS HA H 26 4.192 4.192 4.868 -0.676 25660 138 1 . 1 1 26 26 HIS C C 26 175.081 175.081 174.770 0.311 25660 139 1 . 1 1 26 26 HIS CA C 26 55.813 55.813 55.803 0.010 25660 140 1 . 1 1 26 26 HIS CB C 26 30.173 30.173 30.748 -0.575 25660 141 1 . 1 1 26 26 HIS H H 26 8.545 8.545 8.443 0.102 25660 142 1 . 1 1 27 27 LYS N N 27 126.571 126.571 123.282 3.289 25660 143 1 . 1 1 27 27 LYS HA H 27 4.370 4.370 4.556 -0.186 25660 144 1 . 1 1 27 27 LYS C C 27 175.781 175.781 176.697 -0.916 25660 145 1 . 1 1 27 27 LYS CA C 27 55.066 55.066 55.362 -0.296 25660 146 1 . 1 1 27 27 LYS CB C 27 30.731 30.731 33.705 -2.974 25660 147 1 . 1 1 27 27 LYS H H 27 7.439 7.439 8.025 -0.586 25660 148 1 . 1 1 28 28 THR HA H 28 4.017 4.017 4.156 -0.139 25660 149 1 . 1 1 28 28 THR C C 28 174.931 174.931 175.189 -0.258 25660 150 1 . 1 1 28 28 THR CA C 28 67.083 67.083 64.586 2.497 25660 151 1 . 1 1 28 28 THR CB C 28 69.766 69.766 68.980 0.786 25660 152 1 . 1 1 29 29 GLY N N 29 106.150 106.150 108.172 -2.022 25660 153 1 . 1 1 29 29 GLY C C 29 169.328 169.328 171.520 -2.192 25660 154 1 . 1 1 29 29 GLY CA C 29 40.882 40.882 42.846 -1.964 25660 155 1 . 1 1 29 29 GLY H H 29 7.548 7.548 7.468 0.080 25660 156 1 . 1 1 30 30 PRO HA H 30 3.590 3.590 4.320 -0.730 25660 157 1 . 1 1 30 30 PRO CA C 30 60.269 60.269 62.069 -1.801 25660 158 1 . 1 1 30 30 PRO CB C 30 31.020 31.020 33.226 -2.206 25660 159 1 . 1 1 31 31 ASN HA H 31 4.023 4.023 4.621 -0.598 25660 160 1 . 1 1 31 31 ASN C C 31 176.303 176.303 176.424 -0.121 25660 161 1 . 1 1 31 31 ASN CA C 31 54.344 54.344 54.158 0.186 25660 162 1 . 1 1 31 31 ASN CB C 31 39.785 39.785 38.580 1.205 25660 163 1 . 1 1 31 31 ASN H H 31 10.198 10.198 8.266 1.932 25660 164 1 . 1 1 32 32 LEU N N 32 121.653 121.653 115.564 6.089 25660 165 1 . 1 1 32 32 LEU HA H 32 3.867 3.867 3.866 0.001 25660 166 1 . 1 1 32 32 LEU C C 32 174.533 174.533 175.172 -0.639 25660 167 1 . 1 1 32 32 LEU CA C 32 53.287 53.287 55.718 -2.431 25660 168 1 . 1 1 32 32 LEU CB C 32 42.520 42.520 41.174 1.346 25660 169 1 . 1 1 32 32 LEU H H 32 7.889 7.889 7.993 -0.104 25660 170 1 . 1 1 33 33 HIS N N 33 119.860 119.860 118.024 1.836 25660 171 1 . 1 1 33 33 HIS HA H 33 3.707 3.707 4.327 -0.620 25660 172 1 . 1 1 33 33 HIS C C 33 176.992 176.992 175.931 1.061 25660 173 1 . 1 1 33 33 HIS CA C 33 60.491 60.491 57.554 2.937 25660 174 1 . 1 1 33 33 HIS CB C 33 28.223 28.223 29.469 -1.246 25660 175 1 . 1 1 33 33 HIS H H 33 7.445 7.445 7.811 -0.366 25660 176 1 . 1 1 34 34 GLY N N 34 114.645 114.645 113.684 0.961 25660 177 1 . 1 1 34 34 GLY C C 34 174.473 174.473 174.358 0.115 25660 178 1 . 1 1 34 34 GLY CA C 34 45.713 45.713 45.649 0.065 25660 179 1 . 1 1 34 34 GLY H H 34 8.763 8.763 8.383 0.380 25660 180 1 . 1 1 35 35 LEU N N 35 117.774 117.774 120.459 -2.684 25660 181 1 . 1 1 35 35 LEU HA H 35 3.527 3.527 4.083 -0.556 25660 182 1 . 1 1 35 35 LEU C C 35 176.507 176.507 176.368 0.139 25660 183 1 . 1 1 35 35 LEU CA C 35 57.459 57.459 57.124 0.334 25660 184 1 . 1 1 35 35 LEU CB C 35 43.808 43.808 42.359 1.449 25660 185 1 . 1 1 35 35 LEU H H 35 7.010 7.010 7.545 -0.535 25660 186 1 . 1 1 36 36 PHE N N 36 113.600 113.600 116.865 -3.265 25660 187 1 . 1 1 36 36 PHE HA H 36 3.848 3.848 4.644 -0.796 25660 188 1 . 1 1 36 36 PHE C C 36 176.553 176.553 176.706 -0.153 25660 189 1 . 1 1 36 36 PHE CA C 36 59.702 59.702 59.187 0.515 25660 190 1 . 1 1 36 36 PHE CB C 36 36.223 36.223 38.165 -1.942 25660 191 1 . 1 1 36 36 PHE H H 36 8.694 8.694 8.064 0.630 25660 192 1 . 1 1 37 37 GLY N N 37 112.857 112.857 112.272 0.585 25660 193 1 . 1 1 37 37 GLY C C 37 173.382 173.382 173.493 -0.111 25660 194 1 . 1 1 37 37 GLY CA C 37 44.455 44.455 44.873 -0.418 25660 195 1 . 1 1 37 37 GLY H H 37 8.839 8.839 8.589 0.250 25660 196 1 . 1 1 38 38 ARG N N 38 124.035 124.035 119.387 4.648 25660 197 1 . 1 1 38 38 ARG HA H 38 4.449 4.449 4.708 -0.259 25660 198 1 . 1 1 38 38 ARG C C 38 174.415 174.415 174.931 -0.516 25660 199 1 . 1 1 38 38 ARG CA C 38 55.764 55.764 54.491 1.273 25660 200 1 . 1 1 38 38 ARG CB C 38 32.411 32.411 32.302 0.109 25660 201 1 . 1 1 38 38 ARG H H 38 8.215 8.215 7.772 0.443 25660 202 1 . 1 1 39 39 LYS N N 39 123.290 123.290 121.319 1.971 25660 203 1 . 1 1 39 39 LYS HA H 39 4.847 4.847 4.254 0.593 25660 204 1 . 1 1 39 39 LYS C C 39 172.219 172.219 176.407 -4.188 25660 205 1 . 1 1 39 39 LYS CA C 39 55.199 55.199 55.774 -0.575 25660 206 1 . 1 1 39 39 LYS CB C 39 33.682 33.682 33.483 0.199 25660 207 1 . 1 1 39 39 LYS H H 39 8.147 8.147 8.474 -0.327 25660 208 1 . 1 1 40 40 THR N N 40 113.158 113.158 114.662 -1.504 25660 209 1 . 1 1 40 40 THR HA H 40 4.463 4.463 4.530 -0.067 25660 210 1 . 1 1 40 40 THR C C 40 175.638 175.638 175.176 0.462 25660 211 1 . 1 1 40 40 THR CA C 40 61.920 61.920 61.802 0.118 25660 212 1 . 1 1 40 40 THR CB C 40 68.539 68.539 70.418 -1.879 25660 213 1 . 1 1 40 40 THR H H 40 7.804 7.804 8.285 -0.481 25660 214 1 . 1 1 41 41 GLY N N 41 111.811 111.811 109.732 2.079 25660 215 1 . 1 1 41 41 GLY C C 41 174.720 174.720 174.305 0.414 25660 216 1 . 1 1 41 41 GLY CA C 41 46.409 46.409 46.099 0.310 25660 217 1 . 1 1 41 41 GLY H H 41 9.040 9.040 8.648 0.392 25660 218 1 . 1 1 42 42 GLN N N 42 117.180 117.180 117.722 -0.542 25660 219 1 . 1 1 42 42 GLN HA H 42 4.354 4.354 4.530 -0.176 25660 220 1 . 1 1 42 42 GLN C C 42 175.152 175.152 174.841 0.311 25660 221 1 . 1 1 42 42 GLN CA C 42 54.615 54.615 55.178 -0.563 25660 222 1 . 1 1 42 42 GLN CB C 42 28.977 28.977 29.819 -0.842 25660 223 1 . 1 1 42 42 GLN H H 42 8.084 8.084 8.112 -0.028 25660 224 1 . 1 1 43 43 ALA N N 43 125.825 125.825 125.800 0.025 25660 225 1 . 1 1 43 43 ALA HA H 43 4.536 4.536 4.806 -0.270 25660 226 1 . 1 1 43 43 ALA C C 43 175.308 175.308 175.778 -0.470 25660 227 1 . 1 1 43 43 ALA CA C 43 49.991 49.991 50.021 -0.030 25660 228 1 . 1 1 43 43 ALA CB C 43 18.488 18.488 19.415 -0.927 25660 229 1 . 1 1 43 43 ALA H H 43 8.063 8.063 8.048 0.015 25660 230 1 . 1 1 44 44 PRO HA H 44 4.356 4.356 4.280 0.076 25660 231 1 . 1 1 44 44 PRO C C 44 178.294 178.294 177.593 0.701 25660 232 1 . 1 1 44 44 PRO CA C 44 63.456 63.456 64.544 -1.088 25660 233 1 . 1 1 44 44 PRO CB C 44 31.514 31.514 31.810 -0.296 25660 234 1 . 1 1 45 45 GLY N N 45 112.024 112.024 106.850 5.174 25660 235 1 . 1 1 45 45 GLY C C 45 173.301 173.301 173.717 -0.416 25660 236 1 . 1 1 45 45 GLY CA C 45 45.350 45.350 45.188 0.162 25660 237 1 . 1 1 45 45 GLY H H 45 8.831 8.831 8.381 0.450 25660 238 1 . 1 1 46 46 TYR N N 46 120.307 120.307 119.623 0.684 25660 239 1 . 1 1 46 46 TYR HA H 46 4.192 4.192 4.777 -0.585 25660 240 1 . 1 1 46 46 TYR C C 46 174.910 174.910 174.708 0.202 25660 241 1 . 1 1 46 46 TYR CA C 46 57.515 57.515 56.946 0.570 25660 242 1 . 1 1 46 46 TYR CB C 46 39.539 39.539 40.126 -0.587 25660 243 1 . 1 1 46 46 TYR H H 46 7.661 7.661 7.764 -0.103 25660 244 1 . 1 1 50 50 ALA N N 50 125.381 125.381 127.484 -2.103 25660 245 1 . 1 1 50 50 ALA HA H 50 4.166 4.166 4.527 -0.361 25660 246 1 . 1 1 50 50 ALA C C 50 178.430 178.430 178.487 -0.057 25660 247 1 . 1 1 50 50 ALA CA C 50 53.813 53.813 53.148 0.665 25660 248 1 . 1 1 50 50 ALA CB C 50 17.942 17.942 19.173 -1.232 25660 249 1 . 1 1 50 50 ALA H H 50 8.507 8.507 8.563 -0.056 25660 250 1 . 1 1 51 51 ALA HA H 51 3.993 3.993 3.968 0.025 25660 251 1 . 1 1 51 51 ALA C C 51 178.634 178.634 179.284 -0.650 25660 252 1 . 1 1 51 51 ALA CA C 51 53.932 53.932 54.916 -0.984 25660 253 1 . 1 1 51 51 ALA CB C 51 18.249 18.249 18.357 -0.108 25660 254 1 . 1 1 52 52 ASN N N 52 117.178 117.178 115.328 1.850 25660 255 1 . 1 1 52 52 ASN HA H 52 4.329 4.329 4.511 -0.182 25660 256 1 . 1 1 52 52 ASN C C 52 176.255 176.255 177.040 -0.785 25660 257 1 . 1 1 52 52 ASN CA C 52 55.769 55.769 55.722 0.047 25660 258 1 . 1 1 52 52 ASN CB C 52 39.253 39.253 38.297 0.956 25660 259 1 . 1 1 52 52 ASN H H 52 8.286 8.286 8.198 0.088 25660 260 1 . 1 1 53 53 LYS N N 53 120.164 120.164 118.979 1.185 25660 261 1 . 1 1 53 53 LYS HA H 53 3.728 3.728 4.140 -0.412 25660 262 1 . 1 1 53 53 LYS C C 53 177.676 177.676 177.329 0.347 25660 263 1 . 1 1 53 53 LYS CA C 53 58.402 58.402 58.434 -0.032 25660 264 1 . 1 1 53 53 LYS CB C 53 32.296 32.296 32.622 -0.326 25660 265 1 . 1 1 53 53 LYS H H 53 8.152 8.152 7.766 0.386 25660 266 1 . 1 1 54 54 ASN N N 54 116.286 116.286 116.884 -0.599 25660 267 1 . 1 1 54 54 ASN HA H 54 4.389 4.389 4.674 -0.285 25660 268 1 . 1 1 54 54 ASN C C 54 175.501 175.501 176.009 -0.508 25660 269 1 . 1 1 54 54 ASN CA C 54 53.488 53.488 54.601 -1.113 25660 270 1 . 1 1 54 54 ASN CB C 54 38.101 38.101 39.275 -1.174 25660 271 1 . 1 1 54 54 ASN H H 54 8.553 8.553 7.994 0.559 25660 272 1 . 1 1 55 55 LYS N N 55 121.354 121.354 119.729 1.625 25660 273 1 . 1 1 55 55 LYS HA H 55 4.032 4.032 4.347 -0.315 25660 274 1 . 1 1 55 55 LYS C C 55 177.422 177.422 176.621 0.801 25660 275 1 . 1 1 55 55 LYS CA C 55 56.818 56.818 55.650 1.168 25660 276 1 . 1 1 55 55 LYS CB C 55 31.536 31.536 32.832 -1.296 25660 277 1 . 1 1 55 55 LYS H H 55 7.634 7.634 7.775 -0.141 25660 278 1 . 1 1 56 56 GLY CA C 56 46.052 46.052 44.988 1.064 25660 279 1 . 1 1 57 57 ILE HA H 57 4.042 4.042 4.304 -0.262 25660 280 1 . 1 1 57 57 ILE C C 57 173.923 173.923 174.717 -0.794 25660 281 1 . 1 1 57 57 ILE CA C 57 58.621 58.621 59.381 -0.760 25660 282 1 . 1 1 57 57 ILE CB C 57 38.366 38.366 40.336 -1.970 25660 283 1 . 1 1 58 58 ILE N N 58 121.053 121.053 122.282 -1.229 25660 284 1 . 1 1 58 58 ILE HA H 58 4.082 4.082 3.946 0.136 25660 285 1 . 1 1 58 58 ILE C C 58 177.495 177.495 175.684 1.811 25660 286 1 . 1 1 58 58 ILE CA C 58 58.867 58.867 60.365 -1.498 25660 287 1 . 1 1 58 58 ILE CB C 58 38.504 38.504 39.218 -0.714 25660 288 1 . 1 1 58 58 ILE H H 58 7.988 7.988 8.104 -0.116 25660 289 1 . 1 1 59 59 TRP N N 59 130.896 130.896 126.404 4.492 25660 290 1 . 1 1 59 59 TRP HA H 59 4.829 4.829 4.427 0.402 25660 291 1 . 1 1 59 59 TRP C C 59 175.793 175.793 175.775 0.018 25660 292 1 . 1 1 59 59 TRP CA C 59 57.229 57.229 57.053 0.176 25660 293 1 . 1 1 59 59 TRP CB C 59 29.908 29.908 29.003 0.905 25660 294 1 . 1 1 59 59 TRP H H 59 8.931 8.931 8.221 0.710 25660 295 1 . 1 1 60 60 GLY N N 60 111.218 111.218 110.259 0.959 25660 296 1 . 1 1 60 60 GLY C C 60 171.636 171.636 173.497 -1.861 25660 297 1 . 1 1 60 60 GLY CA C 60 44.214 44.214 45.199 -0.985 25660 298 1 . 1 1 60 60 GLY H H 60 7.839 7.839 8.290 -0.451 25660 299 1 . 1 1 61 61 GLU N N 61 120.606 120.606 119.177 1.429 25660 300 1 . 1 1 61 61 GLU HA H 61 3.858 3.858 4.114 -0.256 25660 301 1 . 1 1 61 61 GLU C C 61 177.011 177.011 177.729 -0.718 25660 302 1 . 1 1 61 61 GLU CA C 61 62.088 62.088 59.856 2.232 25660 303 1 . 1 1 61 61 GLU CB C 61 29.364 29.364 29.852 -0.488 25660 304 1 . 1 1 61 61 GLU H H 61 9.619 9.619 8.878 0.741 25660 305 1 . 1 1 62 62 ASP N N 62 114.943 114.943 115.769 -0.826 25660 306 1 . 1 1 62 62 ASP HA H 62 4.334 4.334 4.641 -0.307 25660 307 1 . 1 1 62 62 ASP C C 62 179.228 179.228 177.343 1.885 25660 308 1 . 1 1 62 62 ASP CA C 62 57.208 57.208 56.044 1.164 25660 309 1 . 1 1 62 62 ASP CB C 62 39.477 39.477 40.711 -1.234 25660 310 1 . 1 1 62 62 ASP H H 62 8.396 8.396 8.556 -0.160 25660 311 1 . 1 1 63 63 THR N N 63 112.857 112.857 112.672 0.185 25660 312 1 . 1 1 63 63 THR HA H 63 4.116 4.116 4.380 -0.264 25660 313 1 . 1 1 63 63 THR C C 63 177.971 177.971 176.186 1.785 25660 314 1 . 1 1 63 63 THR CA C 63 63.601 63.601 64.476 -0.875 25660 315 1 . 1 1 63 63 THR CB C 63 68.918 68.918 69.498 -0.580 25660 316 1 . 1 1 63 63 THR H H 63 8.246 8.246 7.576 0.670 25660 317 1 . 1 1 64 64 LEU N N 64 121.355 121.355 123.000 -1.645 25660 318 1 . 1 1 64 64 LEU HA H 64 4.233 4.233 4.162 0.071 25660 319 1 . 1 1 64 64 LEU C C 64 178.628 178.628 178.822 -0.194 25660 320 1 . 1 1 64 64 LEU CA C 64 58.314 58.314 58.063 0.251 25660 321 1 . 1 1 64 64 LEU CB C 64 42.355 42.355 41.673 0.681 25660 322 1 . 1 1 64 64 LEU H H 64 8.809 8.809 8.400 0.409 25660 323 1 . 1 1 65 65 MET N N 65 118.519 118.519 118.286 0.233 25660 324 1 . 1 1 65 65 MET HA H 65 3.896 3.896 4.153 -0.257 25660 325 1 . 1 1 65 65 MET C C 65 177.782 177.782 177.473 0.309 25660 326 1 . 1 1 65 65 MET CA C 65 57.910 57.910 58.885 -0.975 25660 327 1 . 1 1 65 65 MET CB C 65 31.019 31.019 32.422 -1.403 25660 328 1 . 1 1 65 65 MET H H 65 7.934 7.934 7.966 -0.032 25660 329 1 . 1 1 66 66 GLU N N 66 117.027 117.027 119.083 -2.056 25660 330 1 . 1 1 66 66 GLU HA H 66 3.958 3.958 4.070 -0.112 25660 331 1 . 1 1 66 66 GLU C C 66 178.928 178.928 178.661 0.267 25660 332 1 . 1 1 66 66 GLU CA C 66 58.103 58.103 58.483 -0.380 25660 333 1 . 1 1 66 66 GLU CB C 66 29.676 29.676 29.098 0.578 25660 334 1 . 1 1 66 66 GLU H H 66 6.795 6.795 7.948 -1.153 25660 335 1 . 1 1 67 67 TYR N N 67 120.608 120.608 122.115 -1.507 25660 336 1 . 1 1 67 67 TYR HA H 67 3.501 3.501 4.116 -0.615 25660 337 1 . 1 1 67 67 TYR C C 67 176.312 176.312 177.511 -1.199 25660 338 1 . 1 1 67 67 TYR CA C 67 59.911 59.911 61.489 -1.578 25660 339 1 . 1 1 67 67 TYR CB C 67 40.118 40.118 38.909 1.209 25660 340 1 . 1 1 67 67 TYR H H 67 8.170 8.170 7.930 0.240 25660 341 1 . 1 1 68 68 LEU N N 68 109.278 109.278 117.765 -8.487 25660 342 1 . 1 1 68 68 LEU HA H 68 2.986 2.986 3.942 -0.956 25660 343 1 . 1 1 68 68 LEU C C 68 176.652 176.652 178.703 -2.051 25660 344 1 . 1 1 68 68 LEU CA C 68 55.211 55.211 56.894 -1.683 25660 345 1 . 1 1 68 68 LEU CB C 68 41.188 41.188 41.539 -0.351 25660 346 1 . 1 1 68 68 LEU H H 68 8.108 8.108 8.431 -0.323 25660 347 1 . 1 1 69 69 GLU N N 69 119.118 119.118 120.163 -1.045 25660 348 1 . 1 1 69 69 GLU HA H 69 3.860 3.860 4.260 -0.400 25660 349 1 . 1 1 69 69 GLU C C 69 176.033 176.033 176.016 0.017 25660 350 1 . 1 1 69 69 GLU CA C 69 58.526 58.526 59.058 -0.532 25660 351 1 . 1 1 69 69 GLU CB C 69 29.549 29.549 30.511 -0.962 25660 352 1 . 1 1 69 69 GLU H H 69 6.783 6.783 8.105 -1.322 25660 353 1 . 1 1 70 70 ASN N N 70 105.553 105.553 111.724 -6.171 25660 354 1 . 1 1 70 70 ASN HA H 70 4.131 4.131 5.347 -1.216 25660 355 1 . 1 1 70 70 ASN C C 70 172.247 172.247 172.976 -0.729 25660 356 1 . 1 1 70 70 ASN CA C 70 51.365 51.365 51.324 0.041 25660 357 1 . 1 1 70 70 ASN CB C 70 36.797 36.797 38.592 -1.795 25660 358 1 . 1 1 70 70 ASN H H 70 6.092 6.092 7.730 -1.638 25660 359 1 . 1 1 71 71 PRO HA H 71 3.517 3.517 3.977 -0.460 25660 360 1 . 1 1 71 71 PRO C C 71 176.414 176.414 177.876 -1.462 25660 361 1 . 1 1 71 71 PRO CA C 71 65.672 65.672 65.242 0.430 25660 362 1 . 1 1 71 71 PRO CB C 71 29.935 29.935 31.731 -1.796 25660 363 1 . 1 1 72 72 LYS N N 72 113.454 113.454 115.929 -2.475 25660 364 1 . 1 1 72 72 LYS HA H 72 3.715 3.715 4.327 -0.612 25660 365 1 . 1 1 72 72 LYS C C 72 177.234 177.234 178.061 -0.827 25660 366 1 . 1 1 72 72 LYS CA C 72 57.046 57.046 57.932 -0.886 25660 367 1 . 1 1 72 72 LYS CB C 72 31.565 31.565 31.030 0.536 25660 368 1 . 1 1 72 72 LYS H H 72 7.457 7.457 8.350 -0.893 25660 369 1 . 1 1 73 73 LYS N N 73 118.522 118.522 119.253 -0.731 25660 370 1 . 1 1 73 73 LYS HA H 73 3.790 3.790 4.180 -0.390 25660 371 1 . 1 1 73 73 LYS C C 73 176.890 176.890 177.917 -1.027 25660 372 1 . 1 1 73 73 LYS CA C 73 57.407 57.407 58.346 -0.939 25660 373 1 . 1 1 73 73 LYS CB C 73 32.899 32.899 32.684 0.215 25660 374 1 . 1 1 73 73 LYS H H 73 6.855 6.855 7.632 -0.777 25660 375 1 . 1 1 74 74 TYR N N 74 118.674 118.674 118.601 0.073 25660 376 1 . 1 1 74 74 TYR HA H 74 4.231 4.231 4.434 -0.204 25660 377 1 . 1 1 74 74 TYR C C 74 175.794 175.794 175.269 0.525 25660 378 1 . 1 1 74 74 TYR CA C 74 60.721 60.721 60.318 0.403 25660 379 1 . 1 1 74 74 TYR CB C 74 39.536 39.536 40.871 -1.335 25660 380 1 . 1 1 74 74 TYR H H 74 7.219 7.219 7.818 -0.599 25660 381 1 . 1 1 75 75 ILE N N 75 114.346 114.346 117.825 -3.479 25660 382 1 . 1 1 75 75 ILE HA H 75 4.067 4.067 4.578 -0.511 25660 383 1 . 1 1 75 75 ILE C C 75 179.773 179.773 173.918 5.855 25660 384 1 . 1 1 75 75 ILE CA C 75 58.474 58.474 58.227 0.247 25660 385 1 . 1 1 75 75 ILE CB C 75 37.615 37.615 39.542 -1.927 25660 386 1 . 1 1 75 75 ILE H H 75 8.189 8.189 8.280 -0.091 25660 387 1 . 1 1 76 76 PRO HA H 76 4.477 4.477 4.696 -0.219 25660 388 1 . 1 1 76 76 PRO C C 76 178.583 178.583 177.151 1.432 25660 389 1 . 1 1 76 76 PRO CA C 76 64.021 64.021 63.378 0.643 25660 390 1 . 1 1 76 76 PRO CB C 76 31.137 31.137 31.184 -0.048 25660 391 1 . 1 1 77 77 GLY N N 77 108.831 108.831 109.078 -0.247 25660 392 1 . 1 1 77 77 GLY C C 77 174.866 174.866 173.898 0.968 25660 393 1 . 1 1 77 77 GLY CA C 77 44.314 44.314 45.047 -0.733 25660 394 1 . 1 1 77 77 GLY H H 77 8.563 8.563 8.128 0.435 25660 395 1 . 1 1 78 78 THR N N 78 115.541 115.541 114.943 0.598 25660 396 1 . 1 1 78 78 THR HA H 78 4.226 4.226 4.491 -0.265 25660 397 1 . 1 1 78 78 THR C C 78 173.114 173.114 174.896 -1.782 25660 398 1 . 1 1 78 78 THR CA C 78 61.759 61.759 61.655 0.104 25660 399 1 . 1 1 78 78 THR CB C 78 67.910 67.910 70.131 -2.221 25660 400 1 . 1 1 78 78 THR H H 78 7.922 7.922 7.812 0.110 25660 401 1 . 1 1 79 79 LYS HA H 79 4.381 4.381 4.415 -0.034 25660 402 1 . 1 1 79 79 LYS C C 79 175.845 175.845 176.673 -0.828 25660 403 1 . 1 1 79 79 LYS CA C 79 55.526 55.526 56.022 -0.496 25660 404 1 . 1 1 79 79 LYS CB C 79 32.303 32.303 32.640 -0.337 25660 405 1 . 1 1 80 80 MET N N 80 123.515 123.515 121.961 1.554 25660 406 1 . 1 1 80 80 MET HA H 80 2.934 2.934 4.411 -1.477 25660 407 1 . 1 1 80 80 MET C C 80 171.833 171.833 175.206 -3.373 25660 408 1 . 1 1 80 80 MET CA C 80 55.863 55.863 55.682 0.181 25660 409 1 . 1 1 80 80 MET CB C 80 27.552 27.552 32.351 -4.799 25660 410 1 . 1 1 80 80 MET H H 80 7.384 7.384 7.707 -0.323 25660 411 1 . 1 1 81 81 ILE N N 81 130.146 130.146 128.729 1.417 25660 412 1 . 1 1 81 81 ILE HA H 81 3.485 3.485 4.242 -0.757 25660 413 1 . 1 1 81 81 ILE C C 81 173.220 173.220 175.174 -1.954 25660 414 1 . 1 1 81 81 ILE CA C 81 59.285 59.285 60.437 -1.152 25660 415 1 . 1 1 81 81 ILE CB C 81 34.612 34.612 35.421 -0.809 25660 416 1 . 1 1 81 81 ILE H H 81 7.856 7.856 8.428 -0.572 25660 417 1 . 1 1 82 82 PHE N N 82 123.143 123.143 127.553 -4.410 25660 418 1 . 1 1 82 82 PHE HA H 82 4.327 4.327 4.791 -0.464 25660 419 1 . 1 1 82 82 PHE C C 82 174.333 174.333 174.422 -0.089 25660 420 1 . 1 1 82 82 PHE CA C 82 56.578 56.578 57.285 -0.707 25660 421 1 . 1 1 82 82 PHE CB C 82 40.644 40.644 42.494 -1.850 25660 422 1 . 1 1 82 82 PHE H H 82 6.529 6.529 8.002 -1.473 25660 423 1 . 1 1 83 83 VAL N N 83 125.079 125.079 124.240 0.839 25660 424 1 . 1 1 83 83 VAL HA H 83 3.286 3.286 3.975 -0.689 25660 425 1 . 1 1 83 83 VAL C C 83 174.444 174.444 175.728 -1.284 25660 426 1 . 1 1 83 83 VAL CA C 83 64.273 64.273 63.112 1.161 25660 427 1 . 1 1 83 83 VAL CB C 83 31.352 31.352 32.082 -0.730 25660 428 1 . 1 1 83 83 VAL H H 83 7.739 7.739 7.882 -0.143 25660 429 1 . 1 1 84 84 GLY C C 84 172.113 172.113 173.017 -0.904 25660 430 1 . 1 1 84 84 GLY CA C 84 42.836 42.836 44.607 -1.771 25660 431 1 . 1 1 85 85 ILE N N 85 120.758 120.758 121.740 -0.982 25660 432 1 . 1 1 85 85 ILE HA H 85 4.136 4.136 4.401 -0.265 25660 433 1 . 1 1 85 85 ILE C C 85 175.103 175.103 176.246 -1.143 25660 434 1 . 1 1 85 85 ILE CA C 85 59.390 59.390 60.707 -1.317 25660 435 1 . 1 1 85 85 ILE CB C 85 39.528 39.528 38.921 0.607 25660 436 1 . 1 1 85 85 ILE H H 85 8.327 8.327 8.713 -0.386 25660 437 1 . 1 1 86 86 LYS N N 86 127.466 127.466 126.813 0.653 25660 438 1 . 1 1 86 86 LYS HA H 86 3.972 3.972 4.188 -0.216 25660 439 1 . 1 1 86 86 LYS C C 86 178.442 178.442 176.801 1.641 25660 440 1 . 1 1 86 86 LYS CA C 86 58.619 58.619 57.843 0.775 25660 441 1 . 1 1 86 86 LYS CB C 86 32.343 32.343 32.714 -0.371 25660 442 1 . 1 1 86 86 LYS H H 86 8.518 8.518 8.666 -0.148 25660 443 1 . 1 1 87 87 LYS N N 87 120.309 120.309 120.180 0.129 25660 444 1 . 1 1 87 87 LYS HA H 87 4.247 4.247 4.385 -0.138 25660 445 1 . 1 1 87 87 LYS C C 87 177.569 177.569 177.209 0.360 25660 446 1 . 1 1 87 87 LYS CA C 87 56.865 56.865 55.540 1.325 25660 447 1 . 1 1 87 87 LYS CB C 87 32.531 32.531 32.871 -0.340 25660 448 1 . 1 1 87 87 LYS H H 87 8.368 8.368 8.095 0.273 25660 449 1 . 1 1 88 88 LYS N N 88 129.999 129.999 125.557 4.441 25660 450 1 . 1 1 88 88 LYS HA H 88 3.562 3.562 4.014 -0.452 25660 451 1 . 1 1 88 88 LYS C C 88 177.664 177.664 178.308 -0.644 25660 452 1 . 1 1 88 88 LYS CA C 88 60.314 60.314 59.572 0.741 25660 453 1 . 1 1 88 88 LYS CB C 88 32.083 32.083 32.543 -0.460 25660 454 1 . 1 1 88 88 LYS H H 88 9.151 9.151 8.859 0.292 25660 455 1 . 1 1 89 89 GLU N N 89 117.925 117.925 118.985 -1.060 25660 456 1 . 1 1 89 89 GLU HA H 89 3.899 3.899 4.077 -0.178 25660 457 1 . 1 1 89 89 GLU C C 89 177.911 177.911 178.537 -0.626 25660 458 1 . 1 1 89 89 GLU CA C 89 59.760 59.760 59.403 0.357 25660 459 1 . 1 1 89 89 GLU CB C 89 28.814 28.814 28.923 -0.109 25660 460 1 . 1 1 89 89 GLU H H 89 9.462 9.462 8.821 0.641 25660 461 1 . 1 1 90 90 GLU N N 90 116.437 116.437 119.030 -2.593 25660 462 1 . 1 1 90 90 GLU HA H 90 4.198 4.198 4.109 0.089 25660 463 1 . 1 1 90 90 GLU C C 90 178.730 178.730 179.080 -0.350 25660 464 1 . 1 1 90 90 GLU CA C 90 58.277 58.277 59.190 -0.913 25660 465 1 . 1 1 90 90 GLU CB C 90 29.990 29.990 29.447 0.543 25660 466 1 . 1 1 90 90 GLU H H 90 6.347 6.347 8.313 -1.966 25660 467 1 . 1 1 91 91 ARG N N 91 117.405 117.405 118.715 -1.310 25660 468 1 . 1 1 91 91 ARG HA H 91 3.740 3.740 3.998 -0.258 25660 469 1 . 1 1 91 91 ARG C C 91 177.430 177.430 178.372 -0.942 25660 470 1 . 1 1 91 91 ARG CA C 91 61.182 61.182 59.445 1.737 25660 471 1 . 1 1 91 91 ARG CB C 91 31.106 31.106 29.899 1.207 25660 472 1 . 1 1 91 91 ARG H H 91 7.423 7.423 7.815 -0.392 25660 473 1 . 1 1 92 92 ALA N N 92 120.161 120.161 121.370 -1.209 25660 474 1 . 1 1 92 92 ALA HA H 92 3.970 3.970 4.158 -0.188 25660 475 1 . 1 1 92 92 ALA C C 92 181.044 181.044 179.336 1.708 25660 476 1 . 1 1 92 92 ALA CA C 92 55.281 55.281 54.869 0.412 25660 477 1 . 1 1 92 92 ALA CB C 92 17.539 17.539 18.363 -0.824 25660 478 1 . 1 1 92 92 ALA H H 92 8.668 8.668 8.029 0.639 25660 479 1 . 1 1 93 93 ASP N N 93 122.101 122.101 120.081 2.020 25660 480 1 . 1 1 93 93 ASP HA H 93 4.208 4.208 4.553 -0.345 25660 481 1 . 1 1 93 93 ASP C C 93 177.634 177.634 178.319 -0.685 25660 482 1 . 1 1 93 93 ASP CA C 93 58.147 58.147 57.405 0.742 25660 483 1 . 1 1 93 93 ASP CB C 93 39.552 39.552 40.947 -1.395 25660 484 1 . 1 1 93 93 ASP H H 93 8.153 8.153 7.793 0.360 25660 485 1 . 1 1 94 94 LEU N N 94 121.208 121.208 122.606 -1.398 25660 486 1 . 1 1 94 94 LEU HA H 94 4.205 4.205 4.117 0.088 25660 487 1 . 1 1 94 94 LEU C C 94 178.395 178.395 178.880 -0.485 25660 488 1 . 1 1 94 94 LEU CA C 94 58.295 58.295 58.141 0.154 25660 489 1 . 1 1 94 94 LEU CB C 94 41.711 41.711 42.245 -0.534 25660 490 1 . 1 1 94 94 LEU H H 94 8.183 8.183 8.236 -0.053 25660 491 1 . 1 1 95 95 ILE N N 95 120.159 120.159 118.047 2.112 25660 492 1 . 1 1 95 95 ILE HA H 95 3.609 3.609 3.661 -0.052 25660 493 1 . 1 1 95 95 ILE C C 95 176.351 176.351 177.501 -1.150 25660 494 1 . 1 1 95 95 ILE CA C 95 66.222 66.222 65.317 0.905 25660 495 1 . 1 1 95 95 ILE CB C 95 37.668 37.668 37.560 0.108 25660 496 1 . 1 1 95 95 ILE H H 95 8.974 8.974 8.421 0.553 25660 497 1 . 1 1 96 96 ALA N N 96 123.001 123.001 122.806 0.195 25660 498 1 . 1 1 96 96 ALA HA H 96 4.026 4.026 3.963 0.063 25660 499 1 . 1 1 96 96 ALA C C 96 180.700 180.700 179.321 1.379 25660 500 1 . 1 1 96 96 ALA CA C 96 54.933 54.933 54.986 -0.053 25660 501 1 . 1 1 96 96 ALA CB C 96 16.970 16.970 18.048 -1.078 25660 502 1 . 1 1 96 96 ALA H H 96 7.974 7.974 7.470 0.504 25660 503 1 . 1 1 97 97 TYR N N 97 118.224 118.224 120.150 -1.926 25660 504 1 . 1 1 97 97 TYR HA H 97 4.197 4.197 4.083 0.114 25660 505 1 . 1 1 97 97 TYR C C 97 176.278 176.278 177.381 -1.103 25660 506 1 . 1 1 97 97 TYR CA C 97 61.456 61.456 59.763 1.693 25660 507 1 . 1 1 97 97 TYR CB C 97 36.943 36.943 38.184 -1.241 25660 508 1 . 1 1 97 97 TYR H H 97 8.089 8.089 8.049 0.040 25660 509 1 . 1 1 98 98 LEU N N 98 119.118 119.118 118.690 0.428 25660 510 1 . 1 1 98 98 LEU HA H 98 3.334 3.334 3.317 0.017 25660 511 1 . 1 1 98 98 LEU C C 98 179.188 179.188 179.040 0.148 25660 512 1 . 1 1 98 98 LEU CA C 98 57.650 57.650 57.838 -0.188 25660 513 1 . 1 1 98 98 LEU CB C 98 41.645 41.645 41.354 0.291 25660 514 1 . 1 1 98 98 LEU H H 98 8.982 8.982 8.448 0.534 25660 515 1 . 1 1 99 99 LYS N N 99 123.889 123.889 118.675 5.214 25660 516 1 . 1 1 99 99 LYS HA H 99 2.549 2.549 3.455 -0.906 25660 517 1 . 1 1 99 99 LYS C C 99 176.653 176.653 178.499 -1.846 25660 518 1 . 1 1 99 99 LYS CA C 99 59.190 59.190 58.991 0.199 25660 519 1 . 1 1 99 99 LYS CB C 99 31.869 31.869 31.808 0.061 25660 520 1 . 1 1 99 99 LYS H H 99 8.945 8.945 7.983 0.962 25660 521 1 . 1 1 100 100 LYS N N 100 116.726 116.726 118.383 -1.657 25660 522 1 . 1 1 100 100 LYS HA H 100 3.976 3.976 4.062 -0.086 25660 523 1 . 1 1 100 100 LYS C C 100 178.363 178.363 177.497 0.866 25660 524 1 . 1 1 100 100 LYS CA C 100 57.655 57.655 57.962 -0.307 25660 525 1 . 1 1 100 100 LYS CB C 100 33.175 33.175 32.586 0.589 25660 526 1 . 1 1 100 100 LYS H H 100 6.724 6.724 7.485 -0.761 25660 527 1 . 1 1 101 101 ALA N N 101 119.416 119.416 117.957 1.459 25660 528 1 . 1 1 101 101 ALA HA H 101 3.795 3.795 4.524 -0.729 25660 529 1 . 1 1 101 101 ALA C C 101 179.576 179.576 178.617 0.959 25660 530 1 . 1 1 101 101 ALA CA C 101 54.401 54.401 53.572 0.829 25660 531 1 . 1 1 101 101 ALA CB C 101 18.353 18.353 19.488 -1.135 25660 532 1 . 1 1 101 101 ALA H H 101 8.539 8.539 7.835 0.704 25660 533 1 . 1 1 102 102 THR N N 102 101.974 101.974 108.984 -7.010 25660 534 1 . 1 1 102 102 THR HA H 102 4.157 4.157 3.608 0.549 25660 535 1 . 1 1 102 102 THR C C 102 172.872 172.872 175.027 -2.155 25660 536 1 . 1 1 102 102 THR CA C 102 61.954 61.954 63.165 -1.211 25660 537 1 . 1 1 102 102 THR CB C 102 69.403 69.403 69.228 0.175 25660 538 1 . 1 1 102 102 THR H H 102 7.810 7.810 7.979 -0.169 25660 539 1 . 1 1 103 103 ASN N N 103 118.372 118.372 118.277 0.095 25660 540 1 . 1 1 103 103 ASN HA H 103 4.767 4.767 4.742 0.025 25660 541 1 . 1 1 103 103 ASN C C 103 173.663 173.663 175.251 -1.588 25660 542 1 . 1 1 103 103 ASN CA C 103 52.469 52.469 52.971 -0.502 25660 543 1 . 1 1 103 103 ASN CB C 103 41.376 41.376 38.534 2.842 25660 544 1 . 1 1 103 103 ASN H H 103 6.968 6.968 7.904 -0.936 25660 stop_ save_