data_18522 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18522 _Entry.PDB_ID 2LUI 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 18522 _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 3 3 PRO C C 15 177.225 177.225 176.940 0.285 18522 2 1 1 . 1 1 3 3 PRO CA C 15 63.508 63.508 63.044 0.464 18522 3 1 1 . 1 1 3 3 PRO CB C 15 32.090 32.090 31.630 0.461 18522 4 1 1 . 1 1 4 4 GLY N N 16 108.829 108.829 110.695 -1.866 18522 5 1 1 . 1 1 4 4 GLY C C 16 173.398 173.398 174.815 -1.417 18522 6 1 1 . 1 1 4 4 GLY CA C 16 45.128 45.128 45.130 -0.002 18522 7 1 1 . 1 1 4 4 GLY H H 16 8.489 8.489 7.931 0.558 18522 8 1 1 . 1 1 5 5 ILE N N 17 121.763 121.763 118.808 2.955 18522 9 1 1 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.519 0.035 18522 10 1 1 . 1 1 5 5 ILE C C 17 174.332 174.332 174.701 -0.369 18522 11 1 1 . 1 1 5 5 ILE CA C 17 58.245 58.245 58.706 -0.461 18522 12 1 1 . 1 1 5 5 ILE CB C 17 38.762 38.762 37.669 1.093 18522 13 1 1 . 1 1 5 5 ILE H H 17 8.014 8.014 7.964 0.050 18522 14 1 1 . 1 1 6 6 PRO C C 18 176.437 176.437 176.557 -0.120 18522 15 1 1 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.110 -1.443 18522 16 1 1 . 1 1 6 6 PRO CB C 18 32.469 32.469 32.179 0.290 18522 17 1 1 . 1 1 7 7 VAL N N 19 123.849 123.849 115.359 8.490 18522 18 1 1 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.537 0.013 18522 19 1 1 . 1 1 7 7 VAL C C 19 174.453 174.453 174.133 0.320 18522 20 1 1 . 1 1 7 7 VAL CA C 19 59.846 59.846 58.771 1.075 18522 21 1 1 . 1 1 7 7 VAL CB C 19 33.510 33.510 31.352 2.158 18522 22 1 1 . 1 1 7 7 VAL H H 19 8.754 8.754 7.940 0.814 18522 23 1 1 . 1 1 8 8 PRO HA H 20 5.338 5.338 5.340 -0.002 18522 24 1 1 . 1 1 8 8 PRO C C 20 177.585 177.585 176.413 1.172 18522 25 1 1 . 1 1 8 8 PRO CA C 20 62.406 62.406 61.663 0.743 18522 26 1 1 . 1 1 8 8 PRO CB C 20 32.891 32.891 32.584 0.307 18522 27 1 1 . 1 1 9 9 GLY N N 21 108.426 108.426 108.853 -0.427 18522 28 1 1 . 1 1 9 9 GLY C C 21 171.443 171.443 171.275 0.168 18522 29 1 1 . 1 1 9 9 GLY CA C 21 44.581 44.581 44.493 0.088 18522 30 1 1 . 1 1 9 9 GLY H H 21 8.258 8.258 8.459 -0.201 18522 31 1 1 . 1 1 10 10 LYS N N 22 117.372 117.372 118.626 -1.254 18522 32 1 1 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.304 -1.265 18522 33 1 1 . 1 1 10 10 LYS C C 22 174.463 174.463 174.704 -0.241 18522 34 1 1 . 1 1 10 10 LYS CA C 22 55.263 55.263 54.906 0.357 18522 35 1 1 . 1 1 10 10 LYS CB C 22 35.227 35.227 36.447 -1.220 18522 36 1 1 . 1 1 10 10 LYS H H 22 8.175 8.175 8.047 0.128 18522 37 1 1 . 1 1 11 11 VAL N N 23 120.387 120.387 121.726 -1.339 18522 38 1 1 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.455 0.253 18522 39 1 1 . 1 1 11 11 VAL C C 23 171.873 171.873 174.139 -2.266 18522 40 1 1 . 1 1 11 11 VAL CA C 23 59.866 59.866 60.513 -0.647 18522 41 1 1 . 1 1 11 11 VAL CB C 23 35.269 35.269 36.164 -0.895 18522 42 1 1 . 1 1 11 11 VAL H H 23 8.862 8.862 8.670 0.192 18522 43 1 1 . 1 1 12 12 THR N N 24 125.797 125.797 123.303 2.494 18522 44 1 1 . 1 1 12 12 THR HA H 24 5.121 5.121 4.876 0.245 18522 45 1 1 . 1 1 12 12 THR C C 24 173.407 173.407 173.543 -0.136 18522 46 1 1 . 1 1 12 12 THR CA C 24 62.115 62.115 60.965 1.149 18522 47 1 1 . 1 1 12 12 THR CB C 24 69.606 69.606 68.932 0.674 18522 48 1 1 . 1 1 12 12 THR H H 24 8.859 8.859 8.355 0.504 18522 49 1 1 . 1 1 13 13 LEU N N 25 127.960 127.960 127.241 0.719 18522 50 1 1 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.853 -0.044 18522 51 1 1 . 1 1 13 13 LEU C C 25 175.029 175.029 174.937 0.092 18522 52 1 1 . 1 1 13 13 LEU CA C 25 52.623 52.623 53.021 -0.398 18522 53 1 1 . 1 1 13 13 LEU CB C 25 46.242 46.242 44.715 1.527 18522 54 1 1 . 1 1 13 13 LEU H H 25 9.258 9.258 9.042 0.216 18522 55 1 1 . 1 1 14 14 GLN N N 26 120.858 120.858 116.710 4.148 18522 56 1 1 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.558 -0.076 18522 57 1 1 . 1 1 14 14 GLN C C 26 174.515 174.515 174.813 -0.298 18522 58 1 1 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.161 0.415 18522 59 1 1 . 1 1 14 14 GLN CB C 26 29.516 29.516 32.683 -3.167 18522 60 1 1 . 1 1 14 14 GLN H H 26 8.530 8.530 8.302 0.228 18522 61 1 1 . 1 1 15 15 LYS N N 27 119.583 119.583 121.476 -1.893 18522 62 1 1 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.216 -0.036 18522 63 1 1 . 1 1 15 15 LYS C C 27 177.468 177.468 176.983 0.485 18522 64 1 1 . 1 1 15 15 LYS CA C 27 55.956 55.956 57.245 -1.289 18522 65 1 1 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.736 1.363 18522 66 1 1 . 1 1 15 15 LYS H H 27 8.099 8.099 8.131 -0.032 18522 67 1 1 . 1 1 16 16 ASP N N 28 121.439 121.439 121.585 -0.146 18522 68 1 1 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.648 -0.058 18522 69 1 1 . 1 1 16 16 ASP C C 28 178.392 178.392 177.845 0.547 18522 70 1 1 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.479 -1.053 18522 71 1 1 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.667 -1.290 18522 72 1 1 . 1 1 16 16 ASP H H 28 8.888 8.888 8.599 0.289 18522 73 1 1 . 1 1 17 17 ALA N N 29 119.578 119.578 124.290 -4.712 18522 74 1 1 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.053 0.135 18522 75 1 1 . 1 1 17 17 ALA C C 29 178.763 178.763 178.256 0.507 18522 76 1 1 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.586 -0.152 18522 77 1 1 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.723 -0.430 18522 78 1 1 . 1 1 17 17 ALA H H 29 8.392 8.392 8.748 -0.356 18522 79 1 1 . 1 1 18 18 GLN N N 30 117.564 117.564 117.123 0.441 18522 80 1 1 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.299 0.100 18522 81 1 1 . 1 1 18 18 GLN C C 30 175.168 175.168 175.375 -0.207 18522 82 1 1 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.137 0.202 18522 83 1 1 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.256 -0.667 18522 84 1 1 . 1 1 18 18 GLN H H 30 8.353 8.353 8.041 0.312 18522 85 1 1 . 1 1 19 19 ASN N N 31 115.365 115.365 115.961 -0.596 18522 86 1 1 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.372 -0.057 18522 87 1 1 . 1 1 19 19 ASN C C 31 174.043 174.043 172.892 1.151 18522 88 1 1 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.367 -0.064 18522 89 1 1 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.529 0.081 18522 90 1 1 . 1 1 19 19 ASN H H 31 8.521 8.521 8.303 0.218 18522 91 1 1 . 1 1 20 20 LEU N N 32 118.660 118.660 111.688 6.972 18522 92 1 1 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.811 0.089 18522 93 1 1 . 1 1 20 20 LEU C C 32 178.117 178.117 176.142 1.975 18522 94 1 1 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.740 0.217 18522 95 1 1 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.330 1.444 18522 96 1 1 . 1 1 20 20 LEU H H 32 8.155 8.155 7.350 0.805 18522 97 1 1 . 1 1 21 21 ILE N N 33 116.785 116.785 115.305 1.480 18522 98 1 1 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.556 0.118 18522 99 1 1 . 1 1 21 21 ILE C C 33 176.185 176.185 176.599 -0.414 18522 100 1 1 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.359 1.243 18522 101 1 1 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.198 -0.182 18522 102 1 1 . 1 1 21 21 ILE H H 33 11.488 11.488 8.587 2.901 18522 103 1 1 . 1 1 22 22 GLY N N 34 111.234 111.234 108.598 2.636 18522 104 1 1 . 1 1 22 22 GLY C C 34 173.993 173.993 173.430 0.563 18522 105 1 1 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.122 0.858 18522 106 1 1 . 1 1 22 22 GLY H H 34 9.854 9.854 8.814 1.040 18522 107 1 1 . 1 1 23 23 ILE N N 35 111.117 111.117 114.124 -3.007 18522 108 1 1 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.479 0.056 18522 109 1 1 . 1 1 23 23 ILE C C 35 175.033 175.033 174.296 0.737 18522 110 1 1 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.843 0.572 18522 111 1 1 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.462 0.115 18522 112 1 1 . 1 1 23 23 ILE H H 35 7.835 7.835 7.473 0.362 18522 113 1 1 . 1 1 24 24 SER N N 36 114.908 114.908 115.647 -0.739 18522 114 1 1 . 1 1 24 24 SER HA H 36 4.232 4.232 5.158 -0.926 18522 115 1 1 . 1 1 24 24 SER C C 36 174.735 174.735 172.866 1.869 18522 116 1 1 . 1 1 24 24 SER CA C 36 56.121 56.121 57.492 -1.371 18522 117 1 1 . 1 1 24 24 SER CB C 36 66.097 66.097 66.000 0.097 18522 118 1 1 . 1 1 24 24 SER H H 36 8.623 8.623 8.288 0.335 18522 119 1 1 . 1 1 25 25 ILE N N 37 117.739 117.739 125.692 -7.953 18522 120 1 1 . 1 1 25 25 ILE C C 37 174.340 174.340 175.481 -1.141 18522 121 1 1 . 1 1 25 25 ILE CA C 37 59.123 59.123 58.734 0.389 18522 122 1 1 . 1 1 25 25 ILE CB C 37 41.637 41.637 39.960 1.677 18522 123 1 1 . 1 1 25 25 ILE H H 37 9.130 9.130 9.088 0.042 18522 124 1 1 . 1 1 26 26 GLY N N 38 108.069 108.069 114.476 -6.407 18522 125 1 1 . 1 1 26 26 GLY CA C 38 44.112 44.112 44.627 -0.515 18522 126 1 1 . 1 1 26 26 GLY H H 38 8.841 8.841 9.169 -0.328 18522 127 1 1 . 1 1 27 27 GLY N N 39 109.016 109.016 110.309 -1.293 18522 128 1 1 . 1 1 27 27 GLY C C 39 173.956 173.956 174.030 -0.074 18522 129 1 1 . 1 1 27 27 GLY H H 39 8.187 8.187 8.759 -0.572 18522 130 1 1 . 1 1 28 28 GLY N N 40 111.783 111.783 109.752 2.031 18522 131 1 1 . 1 1 28 28 GLY C C 40 174.255 174.255 173.146 1.109 18522 132 1 1 . 1 1 28 28 GLY CA C 40 47.098 47.098 44.484 2.614 18522 133 1 1 . 1 1 28 28 GLY H H 40 8.275 8.275 7.557 0.718 18522 134 1 1 . 1 1 29 29 ALA N N 41 123.128 123.128 124.748 -1.620 18522 135 1 1 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.386 0.173 18522 136 1 1 . 1 1 29 29 ALA CA C 41 51.073 51.073 52.417 -1.344 18522 137 1 1 . 1 1 29 29 ALA CB C 41 21.926 21.926 20.768 1.158 18522 138 1 1 . 1 1 29 29 ALA H H 41 8.012 8.012 8.098 -0.086 18522 139 1 1 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.213 0.336 18522 140 1 1 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.524 -2.377 18522 141 1 1 . 1 1 31 31 TYR CB C 43 37.495 37.495 36.700 0.795 18522 142 1 1 . 1 1 32 32 CYS N N 44 119.332 119.332 115.574 3.758 18522 143 1 1 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.222 0.637 18522 144 1 1 . 1 1 32 32 CYS CA C 44 57.406 57.406 58.951 -1.545 18522 145 1 1 . 1 1 32 32 CYS CB C 44 27.673 27.673 25.859 1.814 18522 146 1 1 . 1 1 32 32 CYS H H 44 7.504 7.504 7.715 -0.211 18522 147 1 1 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.318 0.095 18522 148 1 1 . 1 1 33 33 PRO CA C 45 64.885 64.885 64.810 0.075 18522 149 1 1 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.426 -0.108 18522 150 1 1 . 1 1 34 34 CYS N N 46 117.327 117.327 110.828 6.499 18522 151 1 1 . 1 1 34 34 CYS C C 46 172.064 172.064 174.968 -2.904 18522 152 1 1 . 1 1 34 34 CYS CA C 46 60.066 60.066 58.556 1.510 18522 153 1 1 . 1 1 34 34 CYS CB C 46 28.715 28.715 29.828 -1.113 18522 154 1 1 . 1 1 34 34 CYS H H 46 7.973 7.973 7.878 0.095 18522 155 1 1 . 1 1 35 35 LEU N N 47 124.270 124.270 119.178 5.092 18522 156 1 1 . 1 1 35 35 LEU HA H 47 4.928 4.928 3.778 1.150 18522 157 1 1 . 1 1 35 35 LEU C C 47 175.076 175.076 177.571 -2.495 18522 158 1 1 . 1 1 35 35 LEU CA C 47 53.278 53.278 57.500 -4.222 18522 159 1 1 . 1 1 35 35 LEU CB C 47 44.321 44.321 40.065 4.256 18522 160 1 1 . 1 1 35 35 LEU H H 47 8.629 8.629 8.540 0.089 18522 161 1 1 . 1 1 36 36 TYR N N 48 119.326 119.326 112.613 6.713 18522 162 1 1 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.176 1.079 18522 163 1 1 . 1 1 36 36 TYR C C 48 175.766 175.766 176.710 -0.944 18522 164 1 1 . 1 1 36 36 TYR CA C 48 56.696 56.696 60.932 -4.236 18522 165 1 1 . 1 1 36 36 TYR CB C 48 42.590 42.590 36.987 5.603 18522 166 1 1 . 1 1 36 36 TYR H H 48 8.761 8.761 8.213 0.548 18522 167 1 1 . 1 1 37 37 ILE N N 49 120.259 120.259 121.559 -1.300 18522 168 1 1 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.617 -0.402 18522 169 1 1 . 1 1 37 37 ILE C C 49 177.429 177.429 176.503 0.926 18522 170 1 1 . 1 1 37 37 ILE CA C 49 62.456 62.456 60.851 1.605 18522 171 1 1 . 1 1 37 37 ILE CB C 49 37.352 37.352 37.976 -0.624 18522 172 1 1 . 1 1 37 37 ILE H H 49 8.959 8.959 7.892 1.067 18522 173 1 1 . 1 1 38 38 VAL HA H 50 3.937 3.937 3.885 0.052 18522 174 1 1 . 1 1 38 38 VAL C C 50 174.408 174.408 175.469 -1.061 18522 175 1 1 . 1 1 38 38 VAL CA C 50 62.259 62.259 63.677 -1.418 18522 176 1 1 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.003 -0.419 18522 177 1 1 . 1 1 39 39 GLN N N 51 116.821 116.821 116.259 0.562 18522 178 1 1 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.525 -0.422 18522 179 1 1 . 1 1 39 39 GLN C C 51 172.856 172.856 173.007 -0.151 18522 180 1 1 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.078 0.049 18522 181 1 1 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.597 -0.221 18522 182 1 1 . 1 1 39 39 GLN H H 51 6.967 6.967 7.475 -0.508 18522 183 1 1 . 1 1 40 40 VAL N N 52 123.482 123.482 119.284 4.198 18522 184 1 1 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.994 -0.717 18522 185 1 1 . 1 1 40 40 VAL C C 52 176.198 176.198 174.050 2.148 18522 186 1 1 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.785 1.789 18522 187 1 1 . 1 1 40 40 VAL CB C 52 32.875 32.875 35.263 -2.388 18522 188 1 1 . 1 1 40 40 VAL H H 52 8.447 8.447 8.116 0.331 18522 189 1 1 . 1 1 41 41 PHE N N 53 128.296 128.296 122.426 5.870 18522 190 1 1 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.835 -0.435 18522 191 1 1 . 1 1 41 41 PHE C C 53 175.299 175.299 175.876 -0.577 18522 192 1 1 . 1 1 41 41 PHE CA C 53 58.494 58.494 57.141 1.353 18522 193 1 1 . 1 1 41 41 PHE CB C 53 39.561 39.561 40.866 -1.305 18522 194 1 1 . 1 1 41 41 PHE H H 53 8.707 8.707 8.564 0.143 18522 195 1 1 . 1 1 42 42 ASP N N 54 122.696 122.696 123.584 -0.888 18522 196 1 1 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.287 -0.015 18522 197 1 1 . 1 1 42 42 ASP C C 54 176.837 176.837 176.429 0.408 18522 198 1 1 . 1 1 42 42 ASP CA C 54 55.291 55.291 57.099 -1.808 18522 199 1 1 . 1 1 42 42 ASP CB C 54 41.093 41.093 41.106 -0.013 18522 200 1 1 . 1 1 42 42 ASP H H 54 8.901 8.901 9.011 -0.110 18522 201 1 1 . 1 1 43 43 ASN N N 55 113.923 113.923 112.921 1.002 18522 202 1 1 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.739 -0.481 18522 203 1 1 . 1 1 43 43 ASN C C 55 173.714 173.714 175.006 -1.292 18522 204 1 1 . 1 1 43 43 ASN CA C 55 54.958 54.958 52.891 2.067 18522 205 1 1 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.218 -2.068 18522 206 1 1 . 1 1 43 43 ASN H H 55 9.319 9.319 8.056 1.263 18522 207 1 1 . 1 1 44 44 THR N N 56 108.020 108.020 113.177 -5.157 18522 208 1 1 . 1 1 44 44 THR HA H 56 5.377 5.377 4.841 0.536 18522 209 1 1 . 1 1 44 44 THR CA C 56 59.712 59.712 59.353 0.359 18522 210 1 1 . 1 1 44 44 THR CB C 56 69.529 69.529 69.941 -0.412 18522 211 1 1 . 1 1 44 44 THR H H 56 7.149 7.149 7.839 -0.690 18522 212 1 1 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.078 0.226 18522 213 1 1 . 1 1 45 45 PRO C C 57 180.141 180.141 177.896 2.245 18522 214 1 1 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.626 0.464 18522 215 1 1 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.509 1.685 18522 216 1 1 . 1 1 46 46 ALA N N 58 116.854 116.854 119.689 -2.835 18522 217 1 1 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.009 0.026 18522 218 1 1 . 1 1 46 46 ALA C C 58 180.647 180.647 179.491 1.156 18522 219 1 1 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.196 -0.001 18522 220 1 1 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.152 0.728 18522 221 1 1 . 1 1 46 46 ALA H H 58 8.938 8.938 7.818 1.120 18522 222 1 1 . 1 1 47 47 ALA N N 59 123.250 123.250 120.564 2.686 18522 223 1 1 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.177 -0.147 18522 224 1 1 . 1 1 47 47 ALA C C 59 179.852 179.852 179.946 -0.094 18522 225 1 1 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.372 0.567 18522 226 1 1 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.690 0.998 18522 227 1 1 . 1 1 47 47 ALA H H 59 7.658 7.658 7.579 0.079 18522 228 1 1 . 1 1 48 48 LEU N N 60 118.654 118.654 119.543 -0.889 18522 229 1 1 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.149 -0.122 18522 230 1 1 . 1 1 48 48 LEU C C 60 179.238 179.238 178.367 0.871 18522 231 1 1 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.163 -0.902 18522 232 1 1 . 1 1 48 48 LEU CB C 60 41.445 41.445 41.327 0.118 18522 233 1 1 . 1 1 48 48 LEU H H 60 8.636 8.636 8.522 0.114 18522 234 1 1 . 1 1 49 49 ASP N N 61 117.382 117.382 117.695 -0.313 18522 235 1 1 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.607 -0.186 18522 236 1 1 . 1 1 49 49 ASP C C 61 177.668 177.668 177.491 0.177 18522 237 1 1 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.097 2.990 18522 238 1 1 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.233 3.245 18522 239 1 1 . 1 1 49 49 ASP H H 61 7.665 7.665 7.901 -0.236 18522 240 1 1 . 1 1 50 50 GLY N N 62 103.228 103.228 108.179 -4.951 18522 241 1 1 . 1 1 50 50 GLY C C 62 174.776 174.776 174.652 0.124 18522 242 1 1 . 1 1 50 50 GLY CA C 62 46.533 46.533 45.624 0.909 18522 243 1 1 . 1 1 50 50 GLY H H 62 7.216 7.216 7.785 -0.569 18522 244 1 1 . 1 1 51 51 THR N N 63 117.230 117.230 110.971 6.259 18522 245 1 1 . 1 1 51 51 THR HA H 63 3.907 3.907 3.864 0.043 18522 246 1 1 . 1 1 51 51 THR C C 63 175.961 175.961 174.982 0.979 18522 247 1 1 . 1 1 51 51 THR CA C 63 66.478 66.478 62.910 3.568 18522 248 1 1 . 1 1 51 51 THR CB C 63 68.268 68.268 67.151 1.117 18522 249 1 1 . 1 1 51 51 THR H H 63 8.319 8.319 7.814 0.505 18522 250 1 1 . 1 1 52 52 VAL N N 64 113.826 113.826 115.430 -1.604 18522 251 1 1 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.444 -0.494 18522 252 1 1 . 1 1 52 52 VAL C C 64 173.883 173.883 174.836 -0.953 18522 253 1 1 . 1 1 52 52 VAL CA C 64 60.708 60.708 60.276 0.432 18522 254 1 1 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.472 2.607 18522 255 1 1 . 1 1 52 52 VAL H H 64 8.147 8.147 7.571 0.576 18522 256 1 1 . 1 1 53 53 ALA N N 65 123.521 123.521 124.891 -1.370 18522 257 1 1 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.317 0.097 18522 258 1 1 . 1 1 53 53 ALA C C 65 175.247 175.247 176.676 -1.429 18522 259 1 1 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.846 -0.406 18522 260 1 1 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.188 3.078 18522 261 1 1 . 1 1 53 53 ALA H H 65 8.633 8.633 7.310 1.323 18522 262 1 1 . 1 1 54 54 ALA N N 66 120.818 120.818 121.697 -0.879 18522 263 1 1 . 1 1 54 54 ALA HA H 66 3.720 3.720 3.813 -0.093 18522 264 1 1 . 1 1 54 54 ALA C C 66 178.411 178.411 178.571 -0.160 18522 265 1 1 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.332 -0.316 18522 266 1 1 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.706 0.134 18522 267 1 1 . 1 1 54 54 ALA H H 66 8.451 8.451 8.145 0.306 18522 268 1 1 . 1 1 55 55 GLY N N 67 112.260 112.260 113.311 -1.051 18522 269 1 1 . 1 1 55 55 GLY C C 67 173.296 173.296 173.647 -0.351 18522 270 1 1 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.522 0.503 18522 271 1 1 . 1 1 55 55 GLY H H 67 9.600 9.600 8.500 1.100 18522 272 1 1 . 1 1 56 56 ASP N N 68 121.293 121.293 121.021 0.272 18522 273 1 1 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.769 0.092 18522 274 1 1 . 1 1 56 56 ASP C C 68 174.937 174.937 175.053 -0.116 18522 275 1 1 . 1 1 56 56 ASP CA C 68 55.641 55.641 52.296 3.345 18522 276 1 1 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.927 -2.231 18522 277 1 1 . 1 1 56 56 ASP H H 68 8.043 8.043 7.614 0.429 18522 278 1 1 . 1 1 57 57 GLU N N 69 122.814 122.814 125.353 -2.539 18522 279 1 1 . 1 1 57 57 GLU C C 69 177.202 177.202 175.835 1.367 18522 280 1 1 . 1 1 57 57 GLU CA C 69 54.472 54.472 54.809 -0.337 18522 281 1 1 . 1 1 57 57 GLU CB C 69 32.800 32.800 30.073 2.727 18522 282 1 1 . 1 1 57 57 GLU H H 69 8.455 8.455 8.129 0.326 18522 283 1 1 . 1 1 58 58 ILE N N 70 125.862 125.862 126.589 -0.727 18522 284 1 1 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.302 0.224 18522 285 1 1 . 1 1 58 58 ILE C C 70 175.035 175.035 175.971 -0.936 18522 286 1 1 . 1 1 58 58 ILE CA C 70 60.918 60.918 61.574 -0.656 18522 287 1 1 . 1 1 58 58 ILE CB C 70 39.236 39.236 36.699 2.537 18522 288 1 1 . 1 1 58 58 ILE H H 70 8.619 8.619 8.003 0.616 18522 289 1 1 . 1 1 59 59 THR N N 71 115.507 115.507 122.152 -6.645 18522 290 1 1 . 1 1 59 59 THR HA H 71 4.513 4.513 4.069 0.444 18522 291 1 1 . 1 1 59 59 THR C C 71 176.425 176.425 173.734 2.691 18522 292 1 1 . 1 1 59 59 THR CA C 71 61.158 61.158 62.043 -0.885 18522 293 1 1 . 1 1 59 59 THR CB C 71 69.604 69.604 70.550 -0.946 18522 294 1 1 . 1 1 59 59 THR H H 71 9.242 9.242 8.585 0.657 18522 295 1 1 . 1 1 60 60 GLY N N 72 111.789 111.789 108.309 3.480 18522 296 1 1 . 1 1 60 60 GLY C C 72 170.981 170.981 171.405 -0.424 18522 297 1 1 . 1 1 60 60 GLY CA C 72 46.554 46.554 44.974 1.580 18522 298 1 1 . 1 1 60 60 GLY H H 72 7.883 7.883 7.605 0.278 18522 299 1 1 . 1 1 61 61 VAL N N 73 119.277 119.277 121.781 -2.504 18522 300 1 1 . 1 1 61 61 VAL C C 73 175.951 175.951 175.745 0.206 18522 301 1 1 . 1 1 61 61 VAL CA C 73 60.982 60.982 59.486 1.496 18522 302 1 1 . 1 1 61 61 VAL CB C 73 36.197 36.197 33.870 2.326 18522 303 1 1 . 1 1 61 61 VAL H H 73 8.424 8.424 8.901 -0.477 18522 304 1 1 . 1 1 62 62 ASN N N 74 127.731 127.731 127.744 -0.013 18522 305 1 1 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.391 0.129 18522 306 1 1 . 1 1 62 62 ASN C C 74 174.878 174.878 175.146 -0.268 18522 307 1 1 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.396 0.022 18522 308 1 1 . 1 1 62 62 ASN CB C 74 36.655 36.655 37.995 -1.340 18522 309 1 1 . 1 1 62 62 ASN H H 74 10.384 10.384 9.364 1.020 18522 310 1 1 . 1 1 63 63 GLY N N 75 104.633 104.633 102.698 1.935 18522 311 1 1 . 1 1 63 63 GLY C C 75 173.610 173.610 173.618 -0.008 18522 312 1 1 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.957 0.304 18522 313 1 1 . 1 1 63 63 GLY H H 75 8.926 8.926 8.674 0.252 18522 314 1 1 . 1 1 64 64 ARG N N 76 120.451 120.451 122.136 -1.685 18522 315 1 1 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.697 -0.196 18522 316 1 1 . 1 1 64 64 ARG C C 76 175.085 175.085 175.646 -0.561 18522 317 1 1 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.273 -0.021 18522 318 1 1 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.316 0.166 18522 319 1 1 . 1 1 64 64 ARG H H 76 7.753 7.753 7.904 -0.151 18522 320 1 1 . 1 1 65 65 SER N N 77 116.586 116.586 120.067 -3.481 18522 321 1 1 . 1 1 65 65 SER HA H 77 4.483 4.483 4.643 -0.160 18522 322 1 1 . 1 1 65 65 SER C C 77 176.953 176.953 175.773 1.180 18522 323 1 1 . 1 1 65 65 SER CA C 77 58.292 58.292 58.243 0.049 18522 324 1 1 . 1 1 65 65 SER CB C 77 63.643 63.643 63.656 -0.013 18522 325 1 1 . 1 1 65 65 SER H H 77 8.555 8.555 9.036 -0.481 18522 326 1 1 . 1 1 66 66 ILE N N 78 116.618 116.618 118.270 -1.652 18522 327 1 1 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.403 0.017 18522 328 1 1 . 1 1 66 66 ILE C C 78 175.072 175.072 176.216 -1.144 18522 329 1 1 . 1 1 66 66 ILE CA C 78 59.122 59.122 60.858 -1.736 18522 330 1 1 . 1 1 66 66 ILE CB C 78 36.758 36.758 38.019 -1.261 18522 331 1 1 . 1 1 66 66 ILE H H 78 7.599 7.599 7.869 -0.270 18522 332 1 1 . 1 1 67 67 LYS N N 79 123.287 123.287 122.690 0.597 18522 333 1 1 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.260 -0.211 18522 334 1 1 . 1 1 67 67 LYS C C 79 178.333 178.333 176.398 1.935 18522 335 1 1 . 1 1 67 67 LYS CA C 79 58.321 58.321 56.695 1.626 18522 336 1 1 . 1 1 67 67 LYS CB C 79 31.635 31.635 30.811 0.824 18522 337 1 1 . 1 1 67 67 LYS H H 79 7.898 7.898 7.945 -0.047 18522 338 1 1 . 1 1 68 68 GLY N N 80 114.933 114.933 114.109 0.824 18522 339 1 1 . 1 1 68 68 GLY C C 80 174.385 174.385 174.163 0.222 18522 340 1 1 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.366 0.152 18522 341 1 1 . 1 1 68 68 GLY H H 80 8.999 8.999 8.376 0.623 18522 342 1 1 . 1 1 69 69 LYS N N 81 119.403 119.403 120.990 -1.587 18522 343 1 1 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.593 -0.550 18522 344 1 1 . 1 1 69 69 LYS C C 81 177.064 177.064 175.753 1.311 18522 345 1 1 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.516 -0.794 18522 346 1 1 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.606 -0.046 18522 347 1 1 . 1 1 69 69 LYS H H 81 7.845 7.845 7.977 -0.132 18522 348 1 1 . 1 1 70 70 THR N N 82 112.066 112.066 115.838 -3.772 18522 349 1 1 . 1 1 70 70 THR HA H 82 4.666 4.666 4.654 0.012 18522 350 1 1 . 1 1 70 70 THR C C 82 175.955 175.955 174.707 1.248 18522 351 1 1 . 1 1 70 70 THR CA C 82 60.438 60.438 61.252 -0.814 18522 352 1 1 . 1 1 70 70 THR CB C 82 71.629 71.629 72.861 -1.232 18522 353 1 1 . 1 1 70 70 THR H H 82 9.153 9.153 8.228 0.925 18522 354 1 1 . 1 1 71 71 LYS N N 83 118.730 118.730 125.830 -7.100 18522 355 1 1 . 1 1 71 71 LYS HA H 83 3.870 3.870 4.044 -0.174 18522 356 1 1 . 1 1 71 71 LYS C C 83 177.464 177.464 178.671 -1.207 18522 357 1 1 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.852 0.504 18522 358 1 1 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.966 -0.616 18522 359 1 1 . 1 1 71 71 LYS H H 83 8.969 8.969 8.928 0.040 18522 360 1 1 . 1 1 72 72 VAL N N 84 117.444 117.444 118.670 -1.226 18522 361 1 1 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.691 -0.058 18522 362 1 1 . 1 1 72 72 VAL C C 84 178.315 178.315 177.358 0.957 18522 363 1 1 . 1 1 72 72 VAL CA C 84 66.079 66.079 66.069 0.010 18522 364 1 1 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.598 0.493 18522 365 1 1 . 1 1 72 72 VAL H H 84 7.631 7.631 8.249 -0.618 18522 366 1 1 . 1 1 73 73 GLU N N 85 120.890 120.890 118.987 1.903 18522 367 1 1 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.092 -0.128 18522 368 1 1 . 1 1 73 73 GLU C C 85 179.971 179.971 178.898 1.073 18522 369 1 1 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.434 -0.117 18522 370 1 1 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.603 0.752 18522 371 1 1 . 1 1 73 73 GLU H H 85 7.617 7.617 7.538 0.079 18522 372 1 1 . 1 1 74 74 VAL N N 86 121.246 121.246 117.606 3.640 18522 373 1 1 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.911 -0.281 18522 374 1 1 . 1 1 74 74 VAL C C 86 177.217 177.217 177.888 -0.671 18522 375 1 1 . 1 1 74 74 VAL CA C 86 66.678 66.678 65.611 1.067 18522 376 1 1 . 1 1 74 74 VAL CB C 86 31.307 31.307 31.601 -0.294 18522 377 1 1 . 1 1 74 74 VAL H H 86 8.368 8.368 8.356 0.012 18522 378 1 1 . 1 1 75 75 ALA N N 87 122.148 122.148 122.346 -0.198 18522 379 1 1 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.956 -0.009 18522 380 1 1 . 1 1 75 75 ALA C C 87 179.545 179.545 179.183 0.362 18522 381 1 1 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.364 0.488 18522 382 1 1 . 1 1 75 75 ALA CB C 87 18.491 18.491 18.014 0.477 18522 383 1 1 . 1 1 75 75 ALA H H 87 8.577 8.577 7.894 0.683 18522 384 1 1 . 1 1 76 76 LYS N N 88 117.733 117.733 119.674 -1.941 18522 385 1 1 . 1 1 76 76 LYS HA H 88 4.051 4.051 4.005 0.046 18522 386 1 1 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.246 0.147 18522 387 1 1 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.350 -0.292 18522 388 1 1 . 1 1 76 76 LYS H H 88 7.854 7.854 7.495 0.359 18522 389 1 1 . 1 1 77 77 MET N N 89 117.676 117.676 117.988 -0.312 18522 390 1 1 . 1 1 77 77 MET HA H 89 4.048 4.048 4.073 -0.025 18522 391 1 1 . 1 1 77 77 MET C C 89 178.791 178.791 178.890 -0.099 18522 392 1 1 . 1 1 77 77 MET CA C 89 59.128 59.128 59.390 -0.262 18522 393 1 1 . 1 1 77 77 MET CB C 89 33.801 33.801 32.592 1.209 18522 394 1 1 . 1 1 77 77 MET H H 89 7.759 7.759 8.228 -0.469 18522 395 1 1 . 1 1 78 78 ILE N N 90 117.305 117.305 119.483 -2.178 18522 396 1 1 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.629 -0.039 18522 397 1 1 . 1 1 78 78 ILE C C 90 178.658 178.658 177.741 0.917 18522 398 1 1 . 1 1 78 78 ILE CA C 90 65.482 65.482 64.854 0.628 18522 399 1 1 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.749 1.096 18522 400 1 1 . 1 1 78 78 ILE H H 90 7.972 7.972 7.723 0.249 18522 401 1 1 . 1 1 79 79 GLN N N 91 120.935 120.935 118.872 2.063 18522 402 1 1 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.063 -0.065 18522 403 1 1 . 1 1 79 79 GLN C C 91 178.274 178.274 179.204 -0.930 18522 404 1 1 . 1 1 79 79 GLN CA C 91 59.151 59.151 58.604 0.547 18522 405 1 1 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.733 0.201 18522 406 1 1 . 1 1 79 79 GLN H H 91 8.826 8.826 8.276 0.550 18522 407 1 1 . 1 1 80 80 GLU N N 92 115.213 115.213 121.726 -6.513 18522 408 1 1 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.138 -0.077 18522 409 1 1 . 1 1 80 80 GLU C C 92 176.824 176.824 177.363 -0.539 18522 410 1 1 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.006 -1.000 18522 411 1 1 . 1 1 80 80 GLU CB C 92 29.890 29.890 30.025 -0.135 18522 412 1 1 . 1 1 80 80 GLU H H 92 8.020 8.020 8.436 -0.416 18522 413 1 1 . 1 1 81 81 VAL N N 93 119.047 119.047 116.330 2.717 18522 414 1 1 . 1 1 81 81 VAL HA H 93 3.930 3.930 4.072 -0.142 18522 415 1 1 . 1 1 81 81 VAL C C 93 176.016 176.016 175.042 0.974 18522 416 1 1 . 1 1 81 81 VAL CA C 93 63.153 63.153 61.622 1.531 18522 417 1 1 . 1 1 81 81 VAL CB C 93 32.154 32.154 29.500 2.654 18522 418 1 1 . 1 1 81 81 VAL H H 93 7.073 7.073 7.512 -0.439 18522 419 1 1 . 1 1 82 82 LYS N N 94 128.366 128.366 128.144 0.222 18522 420 1 1 . 1 1 82 82 LYS C C 94 177.460 177.460 177.272 0.188 18522 421 1 1 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.586 -1.833 18522 422 1 1 . 1 1 82 82 LYS CB C 94 32.332 32.332 32.431 -0.099 18522 423 1 1 . 1 1 82 82 LYS H H 94 8.762 8.762 8.155 0.607 18522 424 1 1 . 1 1 83 83 GLY N N 95 112.528 112.528 113.924 -1.396 18522 425 1 1 . 1 1 83 83 GLY C C 95 173.468 173.468 173.792 -0.324 18522 426 1 1 . 1 1 83 83 GLY CA C 95 46.243 46.243 44.889 1.354 18522 427 1 1 . 1 1 83 83 GLY H H 95 8.673 8.673 8.867 -0.194 18522 428 1 1 . 1 1 84 84 GLU N N 96 121.485 121.485 119.900 1.585 18522 429 1 1 . 1 1 84 84 GLU HA H 96 4.749 4.749 4.756 -0.007 18522 430 1 1 . 1 1 84 84 GLU C C 96 174.583 174.583 174.275 0.308 18522 431 1 1 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.436 1.385 18522 432 1 1 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.623 -2.213 18522 433 1 1 . 1 1 84 84 GLU H H 96 8.297 8.297 7.513 0.784 18522 434 1 1 . 1 1 85 85 VAL N N 97 120.501 120.501 117.868 2.633 18522 435 1 1 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.339 0.326 18522 436 1 1 . 1 1 85 85 VAL C C 97 173.047 173.047 173.834 -0.787 18522 437 1 1 . 1 1 85 85 VAL CA C 97 60.114 60.114 61.805 -1.691 18522 438 1 1 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.739 -0.555 18522 439 1 1 . 1 1 85 85 VAL H H 97 9.096 9.096 8.052 1.044 18522 440 1 1 . 1 1 86 86 THR N N 98 125.019 125.019 123.407 1.612 18522 441 1 1 . 1 1 86 86 THR HA H 98 4.076 4.076 5.206 -1.130 18522 442 1 1 . 1 1 86 86 THR C C 98 173.807 173.807 173.383 0.424 18522 443 1 1 . 1 1 86 86 THR CA C 98 61.735 61.735 61.519 0.216 18522 444 1 1 . 1 1 86 86 THR CB C 98 69.531 69.531 70.841 -1.310 18522 445 1 1 . 1 1 86 86 THR H H 98 9.352 9.352 8.335 1.017 18522 446 1 1 . 1 1 87 87 ILE N N 99 128.383 128.383 122.769 5.614 18522 447 1 1 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.967 -0.306 18522 448 1 1 . 1 1 87 87 ILE C C 99 174.614 174.614 173.971 0.643 18522 449 1 1 . 1 1 87 87 ILE CA C 99 58.258 58.258 58.984 -0.726 18522 450 1 1 . 1 1 87 87 ILE CB C 99 38.528 38.528 40.012 -1.484 18522 451 1 1 . 1 1 87 87 ILE H H 99 9.329 9.329 9.014 0.315 18522 452 1 1 . 1 1 88 88 HIS N N 100 128.279 128.279 126.762 1.517 18522 453 1 1 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.276 -0.328 18522 454 1 1 . 1 1 88 88 HIS C C 100 174.787 174.787 174.201 0.586 18522 455 1 1 . 1 1 88 88 HIS CA C 100 54.620 54.620 53.649 0.971 18522 456 1 1 . 1 1 88 88 HIS H H 100 8.647 8.647 8.972 -0.325 18522 457 1 1 . 1 1 89 89 TYR N N 101 121.320 121.320 122.788 -1.468 18522 458 1 1 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.678 0.269 18522 459 1 1 . 1 1 89 89 TYR C C 101 173.769 173.769 173.373 0.396 18522 460 1 1 . 1 1 89 89 TYR CA C 101 55.669 55.669 54.852 0.817 18522 461 1 1 . 1 1 89 89 TYR CB C 101 42.195 42.195 41.108 1.087 18522 462 1 1 . 1 1 89 89 TYR H H 101 8.414 8.414 8.749 -0.335 18522 463 1 1 . 1 1 90 90 ASN N N 102 116.679 116.679 117.153 -0.474 18522 464 1 1 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.289 0.046 18522 465 1 1 . 1 1 90 90 ASN C C 102 175.406 175.406 173.897 1.509 18522 466 1 1 . 1 1 90 90 ASN CA C 102 51.961 51.961 51.763 0.198 18522 467 1 1 . 1 1 90 90 ASN CB C 102 41.800 41.800 43.527 -1.727 18522 468 1 1 . 1 1 90 90 ASN H H 102 9.282 9.282 8.256 1.026 18522 469 1 1 . 1 1 91 91 LYS N N 103 124.129 124.129 121.049 3.080 18522 470 1 1 . 1 1 91 91 LYS C C 103 176.678 176.678 174.863 1.815 18522 471 1 1 . 1 1 91 91 LYS CA C 103 55.006 55.006 55.561 -0.555 18522 472 1 1 . 1 1 91 91 LYS H H 103 8.949 8.949 8.427 0.522 18522 473 1 1 . 1 1 92 92 LEU N N 104 127.043 127.043 124.292 2.751 18522 474 1 1 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.512 -0.087 18522 475 1 1 . 1 1 92 92 LEU CA C 104 55.060 55.060 53.227 1.833 18522 476 1 1 . 1 1 92 92 LEU CB C 104 42.559 42.559 42.938 -0.380 18522 477 1 1 . 1 1 92 92 LEU H H 104 9.150 9.150 8.578 0.572 18522 478 1 1 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.288 0.027 18522 479 1 1 . 1 1 93 93 GLN C C 105 175.070 175.070 175.681 -0.611 18522 480 1 1 . 1 1 93 93 GLN CA C 105 55.490 55.490 56.084 -0.594 18522 481 1 1 . 1 1 93 93 GLN CB C 105 28.909 28.909 29.158 -0.249 18522 482 1 1 . 1 1 94 94 ALA N N 106 125.133 125.133 121.905 3.228 18522 483 1 1 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.088 0.278 18522 484 1 1 . 1 1 94 94 ALA C C 106 176.392 176.392 176.080 0.312 18522 485 1 1 . 1 1 94 94 ALA CA C 106 51.723 51.723 52.976 -1.253 18522 486 1 1 . 1 1 94 94 ALA CB C 106 20.185 20.185 18.577 1.608 18522 487 1 1 . 1 1 94 94 ALA H H 106 8.226 8.226 7.625 0.601 18522 488 1 1 . 1 1 95 95 ASP N N 107 122.013 122.013 119.060 2.953 18522 489 1 1 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.941 -0.528 18522 490 1 1 . 1 1 95 95 ASP C C 107 175.019 175.019 175.271 -0.252 18522 491 1 1 . 1 1 95 95 ASP CA C 107 55.642 55.642 51.789 3.853 18522 492 1 1 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.311 -1.045 18522 493 1 1 . 1 1 95 95 ASP H H 107 8.429 8.429 8.257 0.172 18522 494 1 1 . 1 1 96 96 PRO HA H 108 4.207 4.207 3.983 0.224 18522 495 1 1 . 1 1 96 96 PRO C C 108 178.840 178.840 178.205 0.635 18522 496 1 1 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.463 -1.067 18522 497 1 1 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.825 0.356 18522 498 1 1 . 1 1 97 97 LYS N N 109 117.942 117.942 115.019 2.923 18522 499 1 1 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.029 0.114 18522 500 1 1 . 1 1 97 97 LYS C C 109 178.099 178.099 179.081 -0.982 18522 501 1 1 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.060 -0.894 18522 502 1 1 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.450 0.199 18522 503 1 1 . 1 1 97 97 LYS H H 109 8.335 8.335 8.325 0.010 18522 504 1 1 . 1 1 98 98 GLN N N 110 119.159 119.159 118.349 0.810 18522 505 1 1 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.262 -0.132 18522 506 1 1 . 1 1 98 98 GLN C C 110 178.298 178.298 178.363 -0.065 18522 507 1 1 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.161 0.499 18522 508 1 1 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.628 0.092 18522 509 1 1 . 1 1 98 98 GLN H H 110 7.985 7.985 8.043 -0.058 18522 510 1 1 . 1 1 99 99 LEU N N 111 120.490 120.490 123.033 -2.543 18522 511 1 1 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.198 -0.321 18522 512 1 1 . 1 1 99 99 LEU C C 111 177.729 177.729 178.212 -0.483 18522 513 1 1 . 1 1 99 99 LEU CA C 111 57.049 57.049 58.066 -1.017 18522 514 1 1 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.722 -0.256 18522 515 1 1 . 1 1 99 99 LEU H H 111 7.994 7.994 8.555 -0.561 18522 516 1 1 . 1 1 100 100 GLU N N 112 118.251 118.251 118.522 -0.271 18522 517 1 1 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.120 -0.148 18522 518 1 1 . 1 1 100 100 GLU C C 112 178.402 178.402 179.321 -0.919 18522 519 1 1 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.114 -0.058 18522 520 1 1 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.002 0.730 18522 521 1 1 . 1 1 100 100 GLU H H 112 7.760 7.760 8.001 -0.241 18522 522 1 1 . 1 1 101 101 VAL N N 113 117.229 117.229 120.132 -2.903 18522 523 1 1 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.904 -0.142 18522 524 1 1 . 1 1 101 101 VAL C C 113 178.107 178.107 178.277 -0.170 18522 525 1 1 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.610 -0.819 18522 526 1 1 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.962 0.187 18522 527 1 1 . 1 1 101 101 VAL H H 113 7.437 7.437 7.329 0.108 18522 528 1 1 . 1 1 102 102 LEU N N 114 122.124 122.124 120.134 1.990 18522 529 1 1 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.162 -0.129 18522 530 1 1 . 1 1 102 102 LEU C C 114 178.506 178.506 177.415 1.091 18522 531 1 1 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.470 0.773 18522 532 1 1 . 1 1 102 102 LEU CB C 114 42.028 42.028 41.959 0.069 18522 533 1 1 . 1 1 102 102 LEU H H 114 7.765 7.765 7.948 -0.183 18522 534 1 1 . 1 1 103 103 PHE N N 115 115.346 115.346 117.217 -1.871 18522 535 1 1 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.245 -0.021 18522 536 1 1 . 1 1 103 103 PHE C C 115 175.621 175.621 175.165 0.456 18522 537 1 1 . 1 1 103 103 PHE CA C 115 57.537 57.537 60.017 -2.481 18522 538 1 1 . 1 1 103 103 PHE CB C 115 38.057 38.057 39.756 -1.699 18522 539 1 1 . 1 1 103 103 PHE H H 115 7.805 7.805 7.701 0.104 18522 540 1 1 . 1 1 104 104 GLN N N 116 119.021 119.021 116.757 2.264 18522 541 1 1 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.276 0.131 18522 542 1 1 . 1 1 104 104 GLN C C 116 176.402 176.402 175.282 1.120 18522 543 1 1 . 1 1 104 104 GLN CA C 116 55.521 55.521 56.723 -1.202 18522 544 1 1 . 1 1 104 104 GLN CB C 116 29.170 29.170 26.718 2.452 18522 545 1 1 . 1 1 104 104 GLN H H 116 7.974 7.974 7.678 0.296 18522 546 1 1 . 1 1 105 105 GLY N N 117 108.868 108.868 113.803 -4.935 18522 547 1 1 . 1 1 105 105 GLY CA C 117 45.124 45.124 45.651 -0.527 18522 548 1 1 . 1 1 105 105 GLY H H 117 8.195 8.195 8.489 -0.294 18522 549 1 1 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.486 0.004 18522 550 1 1 . 1 1 106 106 PRO C C 118 176.001 176.001 175.986 0.015 18522 551 1 1 . 1 1 106 106 PRO CA C 118 63.523 63.523 63.281 0.242 18522 552 1 1 . 1 1 106 106 PRO CB C 118 32.078 32.078 32.495 -0.417 18522 553 1 1 . 1 1 107 107 GLN N N 119 126.950 126.950 121.648 5.302 18522 554 1 1 . 1 1 107 107 GLN C C 119 181.211 181.211 175.632 5.579 18522 555 1 1 . 1 1 107 107 GLN CA C 119 57.416 57.416 55.002 2.414 18522 556 1 1 . 1 1 107 107 GLN H H 119 8.079 8.079 8.649 -0.570 18522 557 1 1 . 1 1 111 111 ARG C C 123 174.608 174.608 175.289 -0.681 18522 558 1 1 . 1 1 111 111 ARG CA C 123 55.099 55.099 56.876 -1.777 18522 559 1 1 . 1 1 112 112 HIS N N 124 122.212 122.212 120.974 1.238 18522 560 1 1 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.671 0.047 18522 561 1 1 . 1 1 112 112 HIS C C 124 176.040 176.040 174.239 1.801 18522 562 1 1 . 1 1 112 112 HIS CA C 124 54.213 54.213 54.657 -0.444 18522 563 1 1 . 1 1 112 112 HIS CB C 124 31.164 31.164 29.627 1.537 18522 564 1 1 . 1 1 112 112 HIS H H 124 7.640 7.640 8.581 -0.941 18522 565 1 1 . 1 1 113 113 TRP C C 125 176.168 176.168 174.610 1.558 18522 566 1 1 . 1 1 114 114 LEU N N 126 121.893 121.893 116.675 5.218 18522 567 1 1 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.767 0.102 18522 568 1 1 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.632 0.519 18522 569 1 1 . 1 1 114 114 LEU CB C 126 45.144 45.144 45.535 -0.391 18522 570 1 1 . 1 1 114 114 LEU H H 126 8.606 8.606 8.952 -0.346 18522 571 1 1 . 1 1 115 115 LYS N N 127 125.850 125.850 118.252 7.598 18522 572 1 1 . 1 1 115 115 LYS HA H 127 4.203 4.203 4.813 -0.610 18522 573 1 1 . 1 1 115 115 LYS C C 127 175.564 175.564 175.008 0.556 18522 574 1 1 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.641 1.611 18522 575 1 1 . 1 1 115 115 LYS CB C 127 33.406 33.406 35.385 -1.979 18522 576 1 1 . 1 1 115 115 LYS H H 127 8.647 8.647 8.152 0.495 18522 577 1 2 . 1 1 3 3 PRO C C 15 177.225 177.225 176.940 0.285 18522 578 1 2 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.280 1.228 18522 579 1 2 . 1 1 3 3 PRO CB C 15 32.090 32.090 30.212 1.878 18522 580 1 2 . 1 1 4 4 GLY N N 16 108.829 108.829 108.779 0.050 18522 581 1 2 . 1 1 4 4 GLY C C 16 173.398 173.398 173.309 0.089 18522 582 1 2 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.611 0.516 18522 583 1 2 . 1 1 4 4 GLY H H 16 8.489 8.489 7.802 0.687 18522 584 1 2 . 1 1 5 5 ILE N N 17 121.763 121.763 118.788 2.975 18522 585 1 2 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.688 -0.134 18522 586 1 2 . 1 1 5 5 ILE C C 17 174.332 174.332 174.983 -0.651 18522 587 1 2 . 1 1 5 5 ILE CA C 17 58.245 58.245 57.992 0.253 18522 588 1 2 . 1 1 5 5 ILE CB C 17 38.762 38.762 38.574 0.188 18522 589 1 2 . 1 1 5 5 ILE H H 17 8.014 8.014 8.106 -0.092 18522 590 1 2 . 1 1 6 6 PRO C C 18 176.437 176.437 176.795 -0.358 18522 591 1 2 . 1 1 6 6 PRO CA C 18 62.667 62.667 63.995 -1.328 18522 592 1 2 . 1 1 6 6 PRO CB C 18 32.469 32.469 32.316 0.154 18522 593 1 2 . 1 1 7 7 VAL N N 19 123.849 123.849 114.039 9.810 18522 594 1 2 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.604 -0.054 18522 595 1 2 . 1 1 7 7 VAL C C 19 174.453 174.453 173.693 0.760 18522 596 1 2 . 1 1 7 7 VAL CA C 19 59.846 59.846 58.214 1.632 18522 597 1 2 . 1 1 7 7 VAL CB C 19 33.510 33.510 32.244 1.266 18522 598 1 2 . 1 1 7 7 VAL H H 19 8.754 8.754 7.749 1.005 18522 599 1 2 . 1 1 8 8 PRO HA H 20 5.338 5.338 5.636 -0.298 18522 600 1 2 . 1 1 8 8 PRO C C 20 177.585 177.585 176.446 1.139 18522 601 1 2 . 1 1 8 8 PRO CA C 20 62.406 62.406 61.280 1.126 18522 602 1 2 . 1 1 8 8 PRO CB C 20 32.891 32.891 33.254 -0.363 18522 603 1 2 . 1 1 9 9 GLY N N 21 108.426 108.426 109.035 -0.609 18522 604 1 2 . 1 1 9 9 GLY C C 21 171.443 171.443 171.090 0.353 18522 605 1 2 . 1 1 9 9 GLY CA C 21 44.581 44.581 45.205 -0.624 18522 606 1 2 . 1 1 9 9 GLY H H 21 8.258 8.258 8.385 -0.127 18522 607 1 2 . 1 1 10 10 LYS N N 22 117.372 117.372 117.830 -0.458 18522 608 1 2 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.078 -1.039 18522 609 1 2 . 1 1 10 10 LYS C C 22 174.463 174.463 174.765 -0.302 18522 610 1 2 . 1 1 10 10 LYS CA C 22 55.263 55.263 54.247 1.016 18522 611 1 2 . 1 1 10 10 LYS CB C 22 35.227 35.227 36.962 -1.736 18522 612 1 2 . 1 1 10 10 LYS H H 22 8.175 8.175 8.093 0.082 18522 613 1 2 . 1 1 11 11 VAL N N 23 120.387 120.387 120.063 0.324 18522 614 1 2 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.568 0.140 18522 615 1 2 . 1 1 11 11 VAL C C 23 171.873 171.873 173.429 -1.556 18522 616 1 2 . 1 1 11 11 VAL CA C 23 59.866 59.866 60.885 -1.019 18522 617 1 2 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.684 -0.414 18522 618 1 2 . 1 1 11 11 VAL H H 23 8.862 8.862 8.641 0.221 18522 619 1 2 . 1 1 12 12 THR N N 24 125.797 125.797 122.816 2.981 18522 620 1 2 . 1 1 12 12 THR HA H 24 5.121 5.121 4.975 0.146 18522 621 1 2 . 1 1 12 12 THR C C 24 173.407 173.407 173.389 0.018 18522 622 1 2 . 1 1 12 12 THR CA C 24 62.115 62.115 60.091 2.024 18522 623 1 2 . 1 1 12 12 THR CB C 24 69.606 69.606 69.207 0.399 18522 624 1 2 . 1 1 12 12 THR H H 24 8.859 8.859 8.342 0.517 18522 625 1 2 . 1 1 13 13 LEU N N 25 127.960 127.960 127.503 0.457 18522 626 1 2 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.885 -0.076 18522 627 1 2 . 1 1 13 13 LEU C C 25 175.029 175.029 175.360 -0.331 18522 628 1 2 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.541 0.082 18522 629 1 2 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.723 0.519 18522 630 1 2 . 1 1 13 13 LEU H H 25 9.258 9.258 8.218 1.040 18522 631 1 2 . 1 1 14 14 GLN N N 26 120.858 120.858 118.100 2.758 18522 632 1 2 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.580 -0.098 18522 633 1 2 . 1 1 14 14 GLN C C 26 174.515 174.515 175.088 -0.573 18522 634 1 2 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.233 0.343 18522 635 1 2 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.796 -2.280 18522 636 1 2 . 1 1 14 14 GLN H H 26 8.530 8.530 8.350 0.180 18522 637 1 2 . 1 1 15 15 LYS N N 27 119.583 119.583 123.680 -4.097 18522 638 1 2 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.305 -0.125 18522 639 1 2 . 1 1 15 15 LYS C C 27 177.468 177.468 177.072 0.396 18522 640 1 2 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.858 -0.902 18522 641 1 2 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.344 1.755 18522 642 1 2 . 1 1 15 15 LYS H H 27 8.099 8.099 8.077 0.022 18522 643 1 2 . 1 1 16 16 ASP N N 28 121.439 121.439 122.348 -0.909 18522 644 1 2 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.672 -0.082 18522 645 1 2 . 1 1 16 16 ASP C C 28 178.392 178.392 177.745 0.647 18522 646 1 2 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.342 -0.916 18522 647 1 2 . 1 1 16 16 ASP CB C 28 41.377 41.377 41.547 -0.170 18522 648 1 2 . 1 1 16 16 ASP H H 28 8.888 8.888 8.501 0.387 18522 649 1 2 . 1 1 17 17 ALA N N 29 119.578 119.578 120.473 -0.895 18522 650 1 2 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.150 0.038 18522 651 1 2 . 1 1 17 17 ALA C C 29 178.763 178.763 178.385 0.378 18522 652 1 2 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.489 -0.055 18522 653 1 2 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.694 -0.401 18522 654 1 2 . 1 1 17 17 ALA H H 29 8.392 8.392 8.474 -0.082 18522 655 1 2 . 1 1 18 18 GLN N N 30 117.564 117.564 116.550 1.014 18522 656 1 2 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.299 0.100 18522 657 1 2 . 1 1 18 18 GLN C C 30 175.168 175.168 175.676 -0.508 18522 658 1 2 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.208 0.131 18522 659 1 2 . 1 1 18 18 GLN CB C 30 28.589 28.589 28.918 -0.329 18522 660 1 2 . 1 1 18 18 GLN H H 30 8.353 8.353 8.500 -0.147 18522 661 1 2 . 1 1 19 19 ASN N N 31 115.365 115.365 116.297 -0.932 18522 662 1 2 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.414 -0.099 18522 663 1 2 . 1 1 19 19 ASN C C 31 174.043 174.043 173.757 0.286 18522 664 1 2 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.452 -0.149 18522 665 1 2 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.915 -0.305 18522 666 1 2 . 1 1 19 19 ASN H H 31 8.521 8.521 7.933 0.588 18522 667 1 2 . 1 1 20 20 LEU N N 32 118.660 118.660 113.256 5.404 18522 668 1 2 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.930 -0.030 18522 669 1 2 . 1 1 20 20 LEU C C 32 178.117 178.117 176.409 1.708 18522 670 1 2 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.243 0.714 18522 671 1 2 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.408 1.366 18522 672 1 2 . 1 1 20 20 LEU H H 32 8.155 8.155 8.402 -0.247 18522 673 1 2 . 1 1 21 21 ILE N N 33 116.785 116.785 115.733 1.052 18522 674 1 2 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.426 0.248 18522 675 1 2 . 1 1 21 21 ILE C C 33 176.185 176.185 176.470 -0.285 18522 676 1 2 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.217 1.385 18522 677 1 2 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.377 -0.361 18522 678 1 2 . 1 1 21 21 ILE H H 33 11.488 11.488 8.329 3.159 18522 679 1 2 . 1 1 22 22 GLY N N 34 111.234 111.234 108.822 2.412 18522 680 1 2 . 1 1 22 22 GLY C C 34 173.993 173.993 173.200 0.793 18522 681 1 2 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.128 0.852 18522 682 1 2 . 1 1 22 22 GLY H H 34 9.854 9.854 8.568 1.286 18522 683 1 2 . 1 1 23 23 ILE N N 35 111.117 111.117 113.927 -2.810 18522 684 1 2 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.157 0.378 18522 685 1 2 . 1 1 23 23 ILE C C 35 175.033 175.033 174.149 0.884 18522 686 1 2 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.745 0.670 18522 687 1 2 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.328 0.249 18522 688 1 2 . 1 1 23 23 ILE H H 35 7.835 7.835 7.247 0.588 18522 689 1 2 . 1 1 24 24 SER N N 36 114.908 114.908 115.948 -1.040 18522 690 1 2 . 1 1 24 24 SER HA H 36 4.232 4.232 4.634 -0.402 18522 691 1 2 . 1 1 24 24 SER C C 36 174.735 174.735 172.652 2.083 18522 692 1 2 . 1 1 24 24 SER CA C 36 56.121 56.121 56.844 -0.723 18522 693 1 2 . 1 1 24 24 SER CB C 36 66.097 66.097 65.524 0.573 18522 694 1 2 . 1 1 24 24 SER H H 36 8.623 8.623 8.550 0.073 18522 695 1 2 . 1 1 25 25 ILE N N 37 117.739 117.739 124.683 -6.944 18522 696 1 2 . 1 1 25 25 ILE C C 37 174.340 174.340 175.918 -1.578 18522 697 1 2 . 1 1 25 25 ILE CA C 37 59.123 59.123 58.736 0.387 18522 698 1 2 . 1 1 25 25 ILE CB C 37 41.637 41.637 39.442 2.195 18522 699 1 2 . 1 1 25 25 ILE H H 37 9.130 9.130 8.145 0.985 18522 700 1 2 . 1 1 26 26 GLY N N 38 108.069 108.069 111.423 -3.354 18522 701 1 2 . 1 1 26 26 GLY CA C 38 44.112 44.112 44.090 0.022 18522 702 1 2 . 1 1 26 26 GLY H H 38 8.841 8.841 8.310 0.531 18522 703 1 2 . 1 1 27 27 GLY N N 39 109.016 109.016 108.382 0.634 18522 704 1 2 . 1 1 27 27 GLY C C 39 173.956 173.956 175.029 -1.073 18522 705 1 2 . 1 1 27 27 GLY H H 39 8.187 8.187 8.509 -0.322 18522 706 1 2 . 1 1 28 28 GLY N N 40 111.783 111.783 108.984 2.799 18522 707 1 2 . 1 1 28 28 GLY C C 40 174.255 174.255 172.897 1.358 18522 708 1 2 . 1 1 28 28 GLY CA C 40 47.098 47.098 45.053 2.045 18522 709 1 2 . 1 1 28 28 GLY H H 40 8.275 8.275 8.188 0.087 18522 710 1 2 . 1 1 29 29 ALA N N 41 123.128 123.128 123.476 -0.348 18522 711 1 2 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.458 0.101 18522 712 1 2 . 1 1 29 29 ALA CA C 41 51.073 51.073 51.753 -0.680 18522 713 1 2 . 1 1 29 29 ALA CB C 41 21.926 21.926 20.360 1.566 18522 714 1 2 . 1 1 29 29 ALA H H 41 8.012 8.012 7.622 0.390 18522 715 1 2 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.173 0.376 18522 716 1 2 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.137 -1.990 18522 717 1 2 . 1 1 31 31 TYR CB C 43 37.495 37.495 37.575 -0.080 18522 718 1 2 . 1 1 32 32 CYS N N 44 119.332 119.332 119.227 0.105 18522 719 1 2 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.828 0.031 18522 720 1 2 . 1 1 32 32 CYS CA C 44 57.406 57.406 57.064 0.342 18522 721 1 2 . 1 1 32 32 CYS CB C 44 27.673 27.673 29.052 -1.379 18522 722 1 2 . 1 1 32 32 CYS H H 44 7.504 7.504 7.681 -0.177 18522 723 1 2 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.587 -0.174 18522 724 1 2 . 1 1 33 33 PRO CA C 45 64.885 64.885 63.062 1.823 18522 725 1 2 . 1 1 33 33 PRO CB C 45 32.318 32.318 30.702 1.616 18522 726 1 2 . 1 1 34 34 CYS N N 46 117.327 117.327 114.801 2.526 18522 727 1 2 . 1 1 34 34 CYS C C 46 172.064 172.064 175.227 -3.163 18522 728 1 2 . 1 1 34 34 CYS CA C 46 60.066 60.066 58.826 1.240 18522 729 1 2 . 1 1 34 34 CYS CB C 46 28.715 28.715 29.913 -1.198 18522 730 1 2 . 1 1 34 34 CYS H H 46 7.973 7.973 7.411 0.562 18522 731 1 2 . 1 1 35 35 LEU N N 47 124.270 124.270 117.342 6.928 18522 732 1 2 . 1 1 35 35 LEU HA H 47 4.928 4.928 3.875 1.053 18522 733 1 2 . 1 1 35 35 LEU C C 47 175.076 175.076 177.920 -2.844 18522 734 1 2 . 1 1 35 35 LEU CA C 47 53.278 53.278 56.992 -3.714 18522 735 1 2 . 1 1 35 35 LEU CB C 47 44.321 44.321 40.522 3.799 18522 736 1 2 . 1 1 35 35 LEU H H 47 8.629 8.629 8.491 0.138 18522 737 1 2 . 1 1 36 36 TYR N N 48 119.326 119.326 113.599 5.727 18522 738 1 2 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.221 1.034 18522 739 1 2 . 1 1 36 36 TYR C C 48 175.766 175.766 177.148 -1.382 18522 740 1 2 . 1 1 36 36 TYR CA C 48 56.696 56.696 61.129 -4.433 18522 741 1 2 . 1 1 36 36 TYR CB C 48 42.590 42.590 37.487 5.103 18522 742 1 2 . 1 1 36 36 TYR H H 48 8.761 8.761 7.848 0.913 18522 743 1 2 . 1 1 37 37 ILE N N 49 120.259 120.259 122.692 -2.433 18522 744 1 2 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.474 -0.259 18522 745 1 2 . 1 1 37 37 ILE C C 49 177.429 177.429 176.661 0.768 18522 746 1 2 . 1 1 37 37 ILE CA C 49 62.456 62.456 60.737 1.718 18522 747 1 2 . 1 1 37 37 ILE CB C 49 37.352 37.352 37.148 0.204 18522 748 1 2 . 1 1 37 37 ILE H H 49 8.959 8.959 7.870 1.089 18522 749 1 2 . 1 1 38 38 VAL HA H 50 3.937 3.937 4.338 -0.401 18522 750 1 2 . 1 1 38 38 VAL C C 50 174.408 174.408 175.287 -0.879 18522 751 1 2 . 1 1 38 38 VAL CA C 50 62.259 62.259 62.108 0.151 18522 752 1 2 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.764 -1.180 18522 753 1 2 . 1 1 39 39 GLN N N 51 116.821 116.821 118.088 -1.267 18522 754 1 2 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.613 -0.510 18522 755 1 2 . 1 1 39 39 GLN C C 51 172.856 172.856 172.888 -0.032 18522 756 1 2 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.643 -0.516 18522 757 1 2 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.892 -0.515 18522 758 1 2 . 1 1 39 39 GLN H H 51 6.967 6.967 7.484 -0.517 18522 759 1 2 . 1 1 40 40 VAL N N 52 123.482 123.482 121.981 1.501 18522 760 1 2 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.606 -0.329 18522 761 1 2 . 1 1 40 40 VAL C C 52 176.198 176.198 173.970 2.228 18522 762 1 2 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.471 2.103 18522 763 1 2 . 1 1 40 40 VAL CB C 52 32.875 32.875 34.310 -1.435 18522 764 1 2 . 1 1 40 40 VAL H H 52 8.447 8.447 8.208 0.239 18522 765 1 2 . 1 1 41 41 PHE N N 53 128.296 128.296 123.684 4.612 18522 766 1 2 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.736 -0.336 18522 767 1 2 . 1 1 41 41 PHE C C 53 175.299 175.299 175.056 0.243 18522 768 1 2 . 1 1 41 41 PHE CA C 53 58.494 58.494 57.914 0.580 18522 769 1 2 . 1 1 41 41 PHE CB C 53 39.561 39.561 39.598 -0.037 18522 770 1 2 . 1 1 41 41 PHE H H 53 8.707 8.707 8.118 0.589 18522 771 1 2 . 1 1 42 42 ASP N N 54 122.696 122.696 115.889 6.807 18522 772 1 2 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.680 -0.408 18522 773 1 2 . 1 1 42 42 ASP C C 54 176.837 176.837 175.924 0.913 18522 774 1 2 . 1 1 42 42 ASP CA C 54 55.291 55.291 55.018 0.273 18522 775 1 2 . 1 1 42 42 ASP CB C 54 41.093 41.093 42.575 -1.482 18522 776 1 2 . 1 1 42 42 ASP H H 54 8.901 8.901 8.401 0.500 18522 777 1 2 . 1 1 43 43 ASN N N 55 113.923 113.923 117.276 -3.353 18522 778 1 2 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.847 -0.589 18522 779 1 2 . 1 1 43 43 ASN C C 55 173.714 173.714 174.517 -0.803 18522 780 1 2 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.657 1.301 18522 781 1 2 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.432 -2.282 18522 782 1 2 . 1 1 43 43 ASN H H 55 9.319 9.319 8.303 1.016 18522 783 1 2 . 1 1 44 44 THR N N 56 108.020 108.020 111.505 -3.485 18522 784 1 2 . 1 1 44 44 THR HA H 56 5.377 5.377 4.729 0.648 18522 785 1 2 . 1 1 44 44 THR CA C 56 59.712 59.712 59.160 0.552 18522 786 1 2 . 1 1 44 44 THR CB C 56 69.529 69.529 69.944 -0.415 18522 787 1 2 . 1 1 44 44 THR H H 56 7.149 7.149 7.512 -0.363 18522 788 1 2 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.094 0.210 18522 789 1 2 . 1 1 45 45 PRO C C 57 180.141 180.141 178.149 1.992 18522 790 1 2 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.697 0.393 18522 791 1 2 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.470 1.724 18522 792 1 2 . 1 1 46 46 ALA N N 58 116.854 116.854 119.923 -3.069 18522 793 1 2 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.022 0.013 18522 794 1 2 . 1 1 46 46 ALA C C 58 180.647 180.647 179.513 1.134 18522 795 1 2 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.239 -0.044 18522 796 1 2 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.127 0.753 18522 797 1 2 . 1 1 46 46 ALA H H 58 8.938 8.938 7.931 1.007 18522 798 1 2 . 1 1 47 47 ALA N N 59 123.250 123.250 121.014 2.236 18522 799 1 2 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.046 -0.016 18522 800 1 2 . 1 1 47 47 ALA C C 59 179.852 179.852 179.516 0.336 18522 801 1 2 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.504 0.435 18522 802 1 2 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.605 1.083 18522 803 1 2 . 1 1 47 47 ALA H H 59 7.658 7.658 7.444 0.214 18522 804 1 2 . 1 1 48 48 LEU N N 60 118.654 118.654 119.666 -1.012 18522 805 1 2 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.129 -0.103 18522 806 1 2 . 1 1 48 48 LEU C C 60 179.238 179.238 178.594 0.644 18522 807 1 2 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.112 -0.851 18522 808 1 2 . 1 1 48 48 LEU CB C 60 41.445 41.445 40.930 0.515 18522 809 1 2 . 1 1 48 48 LEU H H 60 8.636 8.636 8.375 0.261 18522 810 1 2 . 1 1 49 49 ASP N N 61 117.382 117.382 116.908 0.474 18522 811 1 2 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.654 -0.233 18522 812 1 2 . 1 1 49 49 ASP C C 61 177.668 177.668 178.140 -0.472 18522 813 1 2 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.900 2.187 18522 814 1 2 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.899 2.579 18522 815 1 2 . 1 1 49 49 ASP H H 61 7.665 7.665 7.905 -0.240 18522 816 1 2 . 1 1 50 50 GLY N N 62 103.228 103.228 107.217 -3.989 18522 817 1 2 . 1 1 50 50 GLY C C 62 174.776 174.776 175.221 -0.445 18522 818 1 2 . 1 1 50 50 GLY CA C 62 46.533 46.533 45.788 0.745 18522 819 1 2 . 1 1 50 50 GLY H H 62 7.216 7.216 8.251 -1.035 18522 820 1 2 . 1 1 51 51 THR N N 63 117.230 117.230 114.226 3.004 18522 821 1 2 . 1 1 51 51 THR HA H 63 3.907 3.907 3.870 0.037 18522 822 1 2 . 1 1 51 51 THR C C 63 175.961 175.961 174.006 1.955 18522 823 1 2 . 1 1 51 51 THR CA C 63 66.478 66.478 62.637 3.841 18522 824 1 2 . 1 1 51 51 THR CB C 63 68.268 68.268 67.632 0.636 18522 825 1 2 . 1 1 51 51 THR H H 63 8.319 8.319 7.752 0.567 18522 826 1 2 . 1 1 52 52 VAL N N 64 113.826 113.826 114.828 -1.002 18522 827 1 2 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.239 -0.289 18522 828 1 2 . 1 1 52 52 VAL C C 64 173.883 173.883 174.280 -0.397 18522 829 1 2 . 1 1 52 52 VAL CA C 64 60.708 60.708 60.041 0.667 18522 830 1 2 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.396 2.683 18522 831 1 2 . 1 1 52 52 VAL H H 64 8.147 8.147 7.339 0.808 18522 832 1 2 . 1 1 53 53 ALA N N 65 123.521 123.521 123.938 -0.417 18522 833 1 2 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.429 -0.015 18522 834 1 2 . 1 1 53 53 ALA C C 65 175.247 175.247 176.766 -1.519 18522 835 1 2 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.824 -0.384 18522 836 1 2 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.578 2.688 18522 837 1 2 . 1 1 53 53 ALA H H 65 8.633 8.633 7.156 1.477 18522 838 1 2 . 1 1 54 54 ALA N N 66 120.818 120.818 122.493 -1.675 18522 839 1 2 . 1 1 54 54 ALA HA H 66 3.720 3.720 3.911 -0.191 18522 840 1 2 . 1 1 54 54 ALA C C 66 178.411 178.411 178.245 0.166 18522 841 1 2 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.309 -0.293 18522 842 1 2 . 1 1 54 54 ALA CB C 66 17.840 17.840 18.392 -0.552 18522 843 1 2 . 1 1 54 54 ALA H H 66 8.451 8.451 8.206 0.245 18522 844 1 2 . 1 1 55 55 GLY N N 67 112.260 112.260 112.017 0.243 18522 845 1 2 . 1 1 55 55 GLY C C 67 173.296 173.296 173.396 -0.100 18522 846 1 2 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.837 0.189 18522 847 1 2 . 1 1 55 55 GLY H H 67 9.600 9.600 8.805 0.795 18522 848 1 2 . 1 1 56 56 ASP N N 68 121.293 121.293 120.012 1.281 18522 849 1 2 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.825 0.036 18522 850 1 2 . 1 1 56 56 ASP C C 68 174.937 174.937 173.937 1.000 18522 851 1 2 . 1 1 56 56 ASP CA C 68 55.641 55.641 53.551 2.090 18522 852 1 2 . 1 1 56 56 ASP CB C 68 40.696 40.696 43.925 -3.228 18522 853 1 2 . 1 1 56 56 ASP H H 68 8.043 8.043 7.532 0.511 18522 854 1 2 . 1 1 57 57 GLU N N 69 122.814 122.814 122.025 0.789 18522 855 1 2 . 1 1 57 57 GLU C C 69 177.202 177.202 175.802 1.400 18522 856 1 2 . 1 1 57 57 GLU CA C 69 54.472 54.472 54.816 -0.344 18522 857 1 2 . 1 1 57 57 GLU CB C 69 32.800 32.800 31.025 1.775 18522 858 1 2 . 1 1 57 57 GLU H H 69 8.455 8.455 8.075 0.380 18522 859 1 2 . 1 1 58 58 ILE N N 70 125.862 125.862 129.261 -3.399 18522 860 1 2 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.364 0.162 18522 861 1 2 . 1 1 58 58 ILE C C 70 175.035 175.035 175.853 -0.818 18522 862 1 2 . 1 1 58 58 ILE CA C 70 60.918 60.918 60.263 0.655 18522 863 1 2 . 1 1 58 58 ILE CB C 70 39.236 39.236 35.374 3.862 18522 864 1 2 . 1 1 58 58 ILE H H 70 8.619 8.619 8.150 0.469 18522 865 1 2 . 1 1 59 59 THR N N 71 115.507 115.507 120.151 -4.644 18522 866 1 2 . 1 1 59 59 THR HA H 71 4.513 4.513 4.284 0.229 18522 867 1 2 . 1 1 59 59 THR C C 71 176.425 176.425 174.225 2.200 18522 868 1 2 . 1 1 59 59 THR CA C 71 61.158 61.158 62.374 -1.216 18522 869 1 2 . 1 1 59 59 THR CB C 71 69.604 69.604 70.540 -0.936 18522 870 1 2 . 1 1 59 59 THR H H 71 9.242 9.242 8.538 0.704 18522 871 1 2 . 1 1 60 60 GLY N N 72 111.789 111.789 109.603 2.186 18522 872 1 2 . 1 1 60 60 GLY C C 72 170.981 170.981 171.639 -0.658 18522 873 1 2 . 1 1 60 60 GLY CA C 72 46.554 46.554 44.870 1.685 18522 874 1 2 . 1 1 60 60 GLY H H 72 7.883 7.883 7.813 0.070 18522 875 1 2 . 1 1 61 61 VAL N N 73 119.277 119.277 123.207 -3.930 18522 876 1 2 . 1 1 61 61 VAL C C 73 175.951 175.951 175.497 0.454 18522 877 1 2 . 1 1 61 61 VAL CA C 73 60.982 60.982 60.198 0.784 18522 878 1 2 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.278 1.919 18522 879 1 2 . 1 1 61 61 VAL H H 73 8.424 8.424 8.957 -0.533 18522 880 1 2 . 1 1 62 62 ASN N N 74 127.731 127.731 127.389 0.342 18522 881 1 2 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.472 0.048 18522 882 1 2 . 1 1 62 62 ASN C C 74 174.878 174.878 175.072 -0.194 18522 883 1 2 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.372 0.046 18522 884 1 2 . 1 1 62 62 ASN CB C 74 36.655 36.655 37.800 -1.145 18522 885 1 2 . 1 1 62 62 ASN H H 74 10.384 10.384 8.857 1.527 18522 886 1 2 . 1 1 63 63 GLY N N 75 104.633 104.633 102.638 1.995 18522 887 1 2 . 1 1 63 63 GLY C C 75 173.610 173.610 173.421 0.189 18522 888 1 2 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.973 0.288 18522 889 1 2 . 1 1 63 63 GLY H H 75 8.926 8.926 8.126 0.800 18522 890 1 2 . 1 1 64 64 ARG N N 76 120.451 120.451 121.820 -1.369 18522 891 1 2 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.618 -0.117 18522 892 1 2 . 1 1 64 64 ARG C C 76 175.085 175.085 175.777 -0.692 18522 893 1 2 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.283 -0.031 18522 894 1 2 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.444 0.038 18522 895 1 2 . 1 1 64 64 ARG H H 76 7.753 7.753 7.948 -0.195 18522 896 1 2 . 1 1 65 65 SER N N 77 116.586 116.586 120.568 -3.982 18522 897 1 2 . 1 1 65 65 SER HA H 77 4.483 4.483 4.558 -0.075 18522 898 1 2 . 1 1 65 65 SER C C 77 176.953 176.953 176.376 0.577 18522 899 1 2 . 1 1 65 65 SER CA C 77 58.292 58.292 60.090 -1.798 18522 900 1 2 . 1 1 65 65 SER CB C 77 63.643 63.643 63.520 0.123 18522 901 1 2 . 1 1 65 65 SER H H 77 8.555 8.555 8.931 -0.376 18522 902 1 2 . 1 1 66 66 ILE N N 78 116.618 116.618 123.123 -6.505 18522 903 1 2 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.066 0.354 18522 904 1 2 . 1 1 66 66 ILE C C 78 175.072 175.072 176.890 -1.818 18522 905 1 2 . 1 1 66 66 ILE CA C 78 59.122 59.122 62.212 -3.091 18522 906 1 2 . 1 1 66 66 ILE CB C 78 36.758 36.758 36.970 -0.212 18522 907 1 2 . 1 1 66 66 ILE H H 78 7.599 7.599 8.603 -1.004 18522 908 1 2 . 1 1 67 67 LYS N N 79 123.287 123.287 121.846 1.441 18522 909 1 2 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.181 -0.132 18522 910 1 2 . 1 1 67 67 LYS C C 79 178.333 178.333 177.783 0.550 18522 911 1 2 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.099 0.222 18522 912 1 2 . 1 1 67 67 LYS CB C 79 31.635 31.635 32.043 -0.408 18522 913 1 2 . 1 1 67 67 LYS H H 79 7.898 7.898 8.266 -0.368 18522 914 1 2 . 1 1 68 68 GLY N N 80 114.933 114.933 106.895 8.038 18522 915 1 2 . 1 1 68 68 GLY C C 80 174.385 174.385 174.913 -0.528 18522 916 1 2 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.429 0.089 18522 917 1 2 . 1 1 68 68 GLY H H 80 8.999 8.999 7.755 1.244 18522 918 1 2 . 1 1 69 69 LYS N N 81 119.403 119.403 119.917 -0.514 18522 919 1 2 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.580 -0.537 18522 920 1 2 . 1 1 69 69 LYS C C 81 177.064 177.064 175.473 1.591 18522 921 1 2 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.456 -0.734 18522 922 1 2 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.999 -0.439 18522 923 1 2 . 1 1 69 69 LYS H H 81 7.845 7.845 7.906 -0.061 18522 924 1 2 . 1 1 70 70 THR N N 82 112.066 112.066 112.907 -0.841 18522 925 1 2 . 1 1 70 70 THR HA H 82 4.666 4.666 4.564 0.102 18522 926 1 2 . 1 1 70 70 THR C C 82 175.955 175.955 174.922 1.033 18522 927 1 2 . 1 1 70 70 THR CA C 82 60.438 60.438 60.903 -0.465 18522 928 1 2 . 1 1 70 70 THR CB C 82 71.629 71.629 71.826 -0.197 18522 929 1 2 . 1 1 70 70 THR H H 82 9.153 9.153 7.944 1.209 18522 930 1 2 . 1 1 71 71 LYS N N 83 118.730 118.730 124.988 -6.258 18522 931 1 2 . 1 1 71 71 LYS HA H 83 3.870 3.870 4.023 -0.153 18522 932 1 2 . 1 1 71 71 LYS C C 83 177.464 177.464 178.763 -1.299 18522 933 1 2 . 1 1 71 71 LYS CA C 83 60.357 60.357 60.068 0.289 18522 934 1 2 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.903 -0.553 18522 935 1 2 . 1 1 71 71 LYS H H 83 8.969 8.969 8.851 0.118 18522 936 1 2 . 1 1 72 72 VAL N N 84 117.444 117.444 118.367 -0.923 18522 937 1 2 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.616 0.017 18522 938 1 2 . 1 1 72 72 VAL C C 84 178.315 178.315 177.353 0.962 18522 939 1 2 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.946 0.133 18522 940 1 2 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.519 0.572 18522 941 1 2 . 1 1 72 72 VAL H H 84 7.631 7.631 8.223 -0.592 18522 942 1 2 . 1 1 73 73 GLU N N 85 120.890 120.890 119.521 1.369 18522 943 1 2 . 1 1 73 73 GLU HA H 85 3.964 3.964 3.982 -0.018 18522 944 1 2 . 1 1 73 73 GLU C C 85 179.971 179.971 178.837 1.134 18522 945 1 2 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.331 -0.015 18522 946 1 2 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.758 0.597 18522 947 1 2 . 1 1 73 73 GLU H H 85 7.617 7.617 7.371 0.246 18522 948 1 2 . 1 1 74 74 VAL N N 86 121.246 121.246 118.132 3.114 18522 949 1 2 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.627 0.003 18522 950 1 2 . 1 1 74 74 VAL C C 86 177.217 177.217 177.684 -0.467 18522 951 1 2 . 1 1 74 74 VAL CA C 86 66.678 66.678 66.566 0.112 18522 952 1 2 . 1 1 74 74 VAL CB C 86 31.307 31.307 31.383 -0.076 18522 953 1 2 . 1 1 74 74 VAL H H 86 8.368 8.368 8.588 -0.220 18522 954 1 2 . 1 1 75 75 ALA N N 87 122.148 122.148 121.814 0.334 18522 955 1 2 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.917 0.030 18522 956 1 2 . 1 1 75 75 ALA C C 87 179.545 179.545 179.152 0.393 18522 957 1 2 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.324 0.527 18522 958 1 2 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.938 0.553 18522 959 1 2 . 1 1 75 75 ALA H H 87 8.577 8.577 7.956 0.621 18522 960 1 2 . 1 1 76 76 LYS N N 88 117.733 117.733 119.579 -1.846 18522 961 1 2 . 1 1 76 76 LYS HA H 88 4.051 4.051 3.964 0.087 18522 962 1 2 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.472 -0.079 18522 963 1 2 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.383 -0.325 18522 964 1 2 . 1 1 76 76 LYS H H 88 7.854 7.854 7.348 0.506 18522 965 1 2 . 1 1 77 77 MET N N 89 117.676 117.676 117.779 -0.103 18522 966 1 2 . 1 1 77 77 MET HA H 89 4.048 4.048 4.103 -0.055 18522 967 1 2 . 1 1 77 77 MET C C 89 178.791 178.791 179.114 -0.323 18522 968 1 2 . 1 1 77 77 MET CA C 89 59.128 59.128 57.793 1.335 18522 969 1 2 . 1 1 77 77 MET CB C 89 33.801 33.801 31.500 2.301 18522 970 1 2 . 1 1 77 77 MET H H 89 7.759 7.759 8.432 -0.673 18522 971 1 2 . 1 1 78 78 ILE N N 90 117.305 117.305 119.152 -1.847 18522 972 1 2 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.599 -0.009 18522 973 1 2 . 1 1 78 78 ILE C C 90 178.658 178.658 178.032 0.626 18522 974 1 2 . 1 1 78 78 ILE CA C 90 65.482 65.482 65.491 -0.009 18522 975 1 2 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.625 1.220 18522 976 1 2 . 1 1 78 78 ILE H H 90 7.972 7.972 8.407 -0.435 18522 977 1 2 . 1 1 79 79 GLN N N 91 120.935 120.935 118.063 2.872 18522 978 1 2 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.264 -0.266 18522 979 1 2 . 1 1 79 79 GLN C C 91 178.274 178.274 177.634 0.640 18522 980 1 2 . 1 1 79 79 GLN CA C 91 59.151 59.151 57.599 1.552 18522 981 1 2 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.971 -0.037 18522 982 1 2 . 1 1 79 79 GLN H H 91 8.826 8.826 8.044 0.782 18522 983 1 2 . 1 1 80 80 GLU N N 92 115.213 115.213 120.812 -5.599 18522 984 1 2 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.098 -0.037 18522 985 1 2 . 1 1 80 80 GLU C C 92 176.824 176.824 178.431 -1.607 18522 986 1 2 . 1 1 80 80 GLU CA C 92 58.006 58.006 58.812 -0.806 18522 987 1 2 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.877 0.013 18522 988 1 2 . 1 1 80 80 GLU H H 92 8.020 8.020 8.204 -0.184 18522 989 1 2 . 1 1 81 81 VAL N N 93 119.047 119.047 114.812 4.235 18522 990 1 2 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.793 0.137 18522 991 1 2 . 1 1 81 81 VAL C C 93 176.016 176.016 175.899 0.117 18522 992 1 2 . 1 1 81 81 VAL CA C 93 63.153 63.153 63.723 -0.570 18522 993 1 2 . 1 1 81 81 VAL CB C 93 32.154 32.154 32.097 0.057 18522 994 1 2 . 1 1 81 81 VAL H H 93 7.073 7.073 7.587 -0.514 18522 995 1 2 . 1 1 82 82 LYS N N 94 128.366 128.366 119.240 9.126 18522 996 1 2 . 1 1 82 82 LYS C C 94 177.460 177.460 176.709 0.751 18522 997 1 2 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.068 -1.315 18522 998 1 2 . 1 1 82 82 LYS CB C 94 32.332 32.332 32.228 0.104 18522 999 1 2 . 1 1 82 82 LYS H H 94 8.762 8.762 7.435 1.327 18522 1000 1 2 . 1 1 83 83 GLY N N 95 112.528 112.528 113.122 -0.594 18522 1001 1 2 . 1 1 83 83 GLY C C 95 173.468 173.468 172.783 0.685 18522 1002 1 2 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.145 1.098 18522 1003 1 2 . 1 1 83 83 GLY H H 95 8.673 8.673 8.933 -0.260 18522 1004 1 2 . 1 1 84 84 GLU N N 96 121.485 121.485 119.366 2.119 18522 1005 1 2 . 1 1 84 84 GLU HA H 96 4.749 4.749 4.890 -0.141 18522 1006 1 2 . 1 1 84 84 GLU C C 96 174.583 174.583 174.117 0.466 18522 1007 1 2 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.820 1.001 18522 1008 1 2 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.653 -2.243 18522 1009 1 2 . 1 1 84 84 GLU H H 96 8.297 8.297 7.324 0.973 18522 1010 1 2 . 1 1 85 85 VAL N N 97 120.501 120.501 111.693 8.808 18522 1011 1 2 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.725 -0.060 18522 1012 1 2 . 1 1 85 85 VAL C C 97 173.047 173.047 173.538 -0.491 18522 1013 1 2 . 1 1 85 85 VAL CA C 97 60.114 60.114 59.990 0.124 18522 1014 1 2 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.330 -0.146 18522 1015 1 2 . 1 1 85 85 VAL H H 97 9.096 9.096 8.623 0.473 18522 1016 1 2 . 1 1 86 86 THR N N 98 125.019 125.019 119.545 5.474 18522 1017 1 2 . 1 1 86 86 THR HA H 98 4.076 4.076 4.959 -0.883 18522 1018 1 2 . 1 1 86 86 THR C C 98 173.807 173.807 173.509 0.298 18522 1019 1 2 . 1 1 86 86 THR CA C 98 61.735 61.735 61.929 -0.194 18522 1020 1 2 . 1 1 86 86 THR CB C 98 69.531 69.531 69.257 0.274 18522 1021 1 2 . 1 1 86 86 THR H H 98 9.352 9.352 8.391 0.961 18522 1022 1 2 . 1 1 87 87 ILE N N 99 128.383 128.383 123.835 4.548 18522 1023 1 2 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.809 -0.148 18522 1024 1 2 . 1 1 87 87 ILE C C 99 174.614 174.614 174.592 0.022 18522 1025 1 2 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.212 -0.954 18522 1026 1 2 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.041 0.487 18522 1027 1 2 . 1 1 87 87 ILE H H 99 9.329 9.329 8.637 0.692 18522 1028 1 2 . 1 1 88 88 HIS N N 100 128.279 128.279 128.065 0.214 18522 1029 1 2 . 1 1 88 88 HIS HA H 100 4.948 4.948 4.977 -0.029 18522 1030 1 2 . 1 1 88 88 HIS C C 100 174.787 174.787 174.426 0.361 18522 1031 1 2 . 1 1 88 88 HIS CA C 100 54.620 54.620 54.034 0.586 18522 1032 1 2 . 1 1 88 88 HIS H H 100 8.647 8.647 8.546 0.101 18522 1033 1 2 . 1 1 89 89 TYR N N 101 121.320 121.320 123.349 -2.029 18522 1034 1 2 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.451 0.496 18522 1035 1 2 . 1 1 89 89 TYR C C 101 173.769 173.769 173.322 0.447 18522 1036 1 2 . 1 1 89 89 TYR CA C 101 55.669 55.669 54.457 1.212 18522 1037 1 2 . 1 1 89 89 TYR CB C 101 42.195 42.195 40.946 1.249 18522 1038 1 2 . 1 1 89 89 TYR H H 101 8.414 8.414 8.734 -0.320 18522 1039 1 2 . 1 1 90 90 ASN N N 102 116.679 116.679 119.543 -2.864 18522 1040 1 2 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.432 -0.097 18522 1041 1 2 . 1 1 90 90 ASN C C 102 175.406 175.406 174.446 0.960 18522 1042 1 2 . 1 1 90 90 ASN CA C 102 51.961 51.961 52.299 -0.338 18522 1043 1 2 . 1 1 90 90 ASN CB C 102 41.800 41.800 40.778 1.022 18522 1044 1 2 . 1 1 90 90 ASN H H 102 9.282 9.282 8.713 0.569 18522 1045 1 2 . 1 1 91 91 LYS N N 103 124.129 124.129 124.427 -0.298 18522 1046 1 2 . 1 1 91 91 LYS C C 103 176.678 176.678 175.761 0.917 18522 1047 1 2 . 1 1 91 91 LYS CA C 103 55.006 55.006 56.026 -1.020 18522 1048 1 2 . 1 1 91 91 LYS H H 103 8.949 8.949 8.583 0.366 18522 1049 1 2 . 1 1 92 92 LEU N N 104 127.043 127.043 119.497 7.546 18522 1050 1 2 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.592 -0.167 18522 1051 1 2 . 1 1 92 92 LEU CA C 104 55.060 55.060 55.785 -0.725 18522 1052 1 2 . 1 1 92 92 LEU CB C 104 42.559 42.559 42.694 -0.135 18522 1053 1 2 . 1 1 92 92 LEU H H 104 9.150 9.150 8.203 0.947 18522 1054 1 2 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.118 0.197 18522 1055 1 2 . 1 1 93 93 GLN C C 105 175.070 175.070 174.912 0.158 18522 1056 1 2 . 1 1 93 93 GLN CA C 105 55.490 55.490 56.692 -1.202 18522 1057 1 2 . 1 1 93 93 GLN CB C 105 28.909 28.909 26.972 1.937 18522 1058 1 2 . 1 1 94 94 ALA N N 106 125.133 125.133 118.738 6.395 18522 1059 1 2 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.016 0.350 18522 1060 1 2 . 1 1 94 94 ALA C C 106 176.392 176.392 175.155 1.237 18522 1061 1 2 . 1 1 94 94 ALA CA C 106 51.723 51.723 52.584 -0.862 18522 1062 1 2 . 1 1 94 94 ALA CB C 106 20.185 20.185 19.049 1.136 18522 1063 1 2 . 1 1 94 94 ALA H H 106 8.226 8.226 8.002 0.224 18522 1064 1 2 . 1 1 95 95 ASP N N 107 122.013 122.013 120.145 1.868 18522 1065 1 2 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.914 -0.501 18522 1066 1 2 . 1 1 95 95 ASP C C 107 175.019 175.019 175.527 -0.508 18522 1067 1 2 . 1 1 95 95 ASP CA C 107 55.642 55.642 51.119 4.523 18522 1068 1 2 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.365 -1.099 18522 1069 1 2 . 1 1 95 95 ASP H H 107 8.429 8.429 8.292 0.137 18522 1070 1 2 . 1 1 96 96 PRO HA H 108 4.207 4.207 3.984 0.223 18522 1071 1 2 . 1 1 96 96 PRO C C 108 178.840 178.840 178.185 0.655 18522 1072 1 2 . 1 1 96 96 PRO CA C 108 65.396 65.396 65.792 -0.396 18522 1073 1 2 . 1 1 96 96 PRO CB C 108 32.181 32.181 32.020 0.161 18522 1074 1 2 . 1 1 97 97 LYS N N 109 117.942 117.942 115.316 2.626 18522 1075 1 2 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.022 0.121 18522 1076 1 2 . 1 1 97 97 LYS C C 109 178.099 178.099 179.402 -1.303 18522 1077 1 2 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.062 -0.895 18522 1078 1 2 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.451 0.198 18522 1079 1 2 . 1 1 97 97 LYS H H 109 8.335 8.335 7.749 0.586 18522 1080 1 2 . 1 1 98 98 GLN N N 110 119.159 119.159 118.371 0.788 18522 1081 1 2 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.297 -0.167 18522 1082 1 2 . 1 1 98 98 GLN C C 110 178.298 178.298 178.373 -0.075 18522 1083 1 2 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.256 0.404 18522 1084 1 2 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.637 0.083 18522 1085 1 2 . 1 1 98 98 GLN H H 110 7.985 7.985 8.254 -0.269 18522 1086 1 2 . 1 1 99 99 LEU N N 111 120.490 120.490 122.407 -1.917 18522 1087 1 2 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.170 -0.293 18522 1088 1 2 . 1 1 99 99 LEU C C 111 177.729 177.729 178.489 -0.760 18522 1089 1 2 . 1 1 99 99 LEU CA C 111 57.049 57.049 58.149 -1.100 18522 1090 1 2 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.733 -0.267 18522 1091 1 2 . 1 1 99 99 LEU H H 111 7.994 7.994 8.441 -0.447 18522 1092 1 2 . 1 1 100 100 GLU N N 112 118.251 118.251 118.920 -0.669 18522 1093 1 2 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.128 -0.156 18522 1094 1 2 . 1 1 100 100 GLU C C 112 178.402 178.402 179.105 -0.703 18522 1095 1 2 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.361 -0.305 18522 1096 1 2 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.026 0.706 18522 1097 1 2 . 1 1 100 100 GLU H H 112 7.760 7.760 8.039 -0.279 18522 1098 1 2 . 1 1 101 101 VAL N N 113 117.229 117.229 120.304 -3.075 18522 1099 1 2 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.782 -0.020 18522 1100 1 2 . 1 1 101 101 VAL C C 113 178.107 178.107 177.529 0.578 18522 1101 1 2 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.785 -0.994 18522 1102 1 2 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.846 0.303 18522 1103 1 2 . 1 1 101 101 VAL H H 113 7.437 7.437 7.259 0.178 18522 1104 1 2 . 1 1 102 102 LEU N N 114 122.124 122.124 118.602 3.522 18522 1105 1 2 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.186 -0.153 18522 1106 1 2 . 1 1 102 102 LEU C C 114 178.506 178.506 178.850 -0.344 18522 1107 1 2 . 1 1 102 102 LEU CA C 114 57.243 57.243 57.184 0.059 18522 1108 1 2 . 1 1 102 102 LEU CB C 114 42.028 42.028 42.149 -0.121 18522 1109 1 2 . 1 1 102 102 LEU H H 114 7.765 7.765 7.898 -0.133 18522 1110 1 2 . 1 1 103 103 PHE N N 115 115.346 115.346 119.999 -4.653 18522 1111 1 2 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.326 -0.102 18522 1112 1 2 . 1 1 103 103 PHE C C 115 175.621 175.621 177.311 -1.690 18522 1113 1 2 . 1 1 103 103 PHE CA C 115 57.537 57.537 60.807 -3.270 18522 1114 1 2 . 1 1 103 103 PHE CB C 115 38.057 38.057 39.817 -1.760 18522 1115 1 2 . 1 1 103 103 PHE H H 115 7.805 7.805 7.822 -0.017 18522 1116 1 2 . 1 1 104 104 GLN N N 116 119.021 119.021 117.382 1.639 18522 1117 1 2 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.283 0.124 18522 1118 1 2 . 1 1 104 104 GLN C C 116 176.402 176.402 175.786 0.616 18522 1119 1 2 . 1 1 104 104 GLN CA C 116 55.521 55.521 55.928 -0.408 18522 1120 1 2 . 1 1 104 104 GLN CB C 116 29.170 29.170 27.534 1.636 18522 1121 1 2 . 1 1 104 104 GLN H H 116 7.974 7.974 8.602 -0.628 18522 1122 1 2 . 1 1 105 105 GLY N N 117 108.868 108.868 108.186 0.682 18522 1123 1 2 . 1 1 105 105 GLY CA C 117 45.124 45.124 45.466 -0.342 18522 1124 1 2 . 1 1 105 105 GLY H H 117 8.195 8.195 7.786 0.409 18522 1125 1 2 . 1 1 106 106 PRO HA H 118 4.490 4.490 3.882 0.608 18522 1126 1 2 . 1 1 106 106 PRO C C 118 176.001 176.001 175.276 0.725 18522 1127 1 2 . 1 1 106 106 PRO CA C 118 63.523 63.523 64.112 -0.590 18522 1128 1 2 . 1 1 106 106 PRO CB C 118 32.078 32.078 30.305 1.773 18522 1129 1 2 . 1 1 107 107 GLN N N 119 126.950 126.950 119.968 6.982 18522 1130 1 2 . 1 1 107 107 GLN C C 119 181.211 181.211 174.440 6.771 18522 1131 1 2 . 1 1 107 107 GLN CA C 119 57.416 57.416 55.679 1.737 18522 1132 1 2 . 1 1 107 107 GLN H H 119 8.079 8.079 8.045 0.034 18522 1133 1 2 . 1 1 111 111 ARG C C 123 174.608 174.608 174.751 -0.143 18522 1134 1 2 . 1 1 111 111 ARG CA C 123 55.099 55.099 54.191 0.907 18522 1135 1 2 . 1 1 112 112 HIS N N 124 122.212 122.212 119.762 2.450 18522 1136 1 2 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.742 -0.024 18522 1137 1 2 . 1 1 112 112 HIS C C 124 176.040 176.040 174.685 1.355 18522 1138 1 2 . 1 1 112 112 HIS CA C 124 54.213 54.213 55.955 -1.742 18522 1139 1 2 . 1 1 112 112 HIS CB C 124 31.164 31.164 29.824 1.340 18522 1140 1 2 . 1 1 112 112 HIS H H 124 7.640 7.640 8.562 -0.922 18522 1141 1 2 . 1 1 113 113 TRP C C 125 176.168 176.168 174.596 1.572 18522 1142 1 2 . 1 1 114 114 LEU N N 126 121.893 121.893 124.828 -2.935 18522 1143 1 2 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.621 0.248 18522 1144 1 2 . 1 1 114 114 LEU CA C 126 54.151 54.151 52.682 1.469 18522 1145 1 2 . 1 1 114 114 LEU CB C 126 45.144 45.144 45.926 -0.782 18522 1146 1 2 . 1 1 114 114 LEU H H 126 8.606 8.606 7.481 1.125 18522 1147 1 2 . 1 1 115 115 LYS N N 127 125.850 125.850 118.746 7.104 18522 1148 1 2 . 1 1 115 115 LYS HA H 127 4.203 4.203 4.429 -0.226 18522 1149 1 2 . 1 1 115 115 LYS C C 127 175.564 175.564 173.859 1.705 18522 1150 1 2 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.528 1.724 18522 1151 1 2 . 1 1 115 115 LYS CB C 127 33.406 33.406 34.223 -0.817 18522 1152 1 2 . 1 1 115 115 LYS H H 127 8.647 8.647 7.898 0.749 18522 1153 1 3 . 1 1 3 3 PRO C C 15 177.225 177.225 176.727 0.498 18522 1154 1 3 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.585 0.923 18522 1155 1 3 . 1 1 3 3 PRO CB C 15 32.090 32.090 30.367 1.723 18522 1156 1 3 . 1 1 4 4 GLY N N 16 108.829 108.829 110.202 -1.373 18522 1157 1 3 . 1 1 4 4 GLY C C 16 173.398 173.398 174.534 -1.136 18522 1158 1 3 . 1 1 4 4 GLY CA C 16 45.128 45.128 45.115 0.013 18522 1159 1 3 . 1 1 4 4 GLY H H 16 8.489 8.489 8.459 0.030 18522 1160 1 3 . 1 1 5 5 ILE N N 17 121.763 121.763 117.939 3.824 18522 1161 1 3 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.779 -0.225 18522 1162 1 3 . 1 1 5 5 ILE C C 17 174.332 174.332 173.716 0.616 18522 1163 1 3 . 1 1 5 5 ILE CA C 17 58.245 58.245 57.813 0.432 18522 1164 1 3 . 1 1 5 5 ILE CB C 17 38.762 38.762 38.519 0.243 18522 1165 1 3 . 1 1 5 5 ILE H H 17 8.014 8.014 7.590 0.424 18522 1166 1 3 . 1 1 6 6 PRO C C 18 176.437 176.437 176.439 -0.002 18522 1167 1 3 . 1 1 6 6 PRO CA C 18 62.667 62.667 62.203 0.464 18522 1168 1 3 . 1 1 6 6 PRO CB C 18 32.469 32.469 32.456 0.013 18522 1169 1 3 . 1 1 7 7 VAL N N 19 123.849 123.849 117.536 6.313 18522 1170 1 3 . 1 1 7 7 VAL HA H 19 4.550 4.550 3.935 0.615 18522 1171 1 3 . 1 1 7 7 VAL C C 19 174.453 174.453 174.434 0.019 18522 1172 1 3 . 1 1 7 7 VAL CA C 19 59.846 59.846 62.182 -2.336 18522 1173 1 3 . 1 1 7 7 VAL CB C 19 33.510 33.510 30.789 2.721 18522 1174 1 3 . 1 1 7 7 VAL H H 19 8.754 8.754 8.364 0.390 18522 1175 1 3 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.606 0.732 18522 1176 1 3 . 1 1 8 8 PRO C C 20 177.585 177.585 176.098 1.487 18522 1177 1 3 . 1 1 8 8 PRO CA C 20 62.406 62.406 61.879 0.527 18522 1178 1 3 . 1 1 8 8 PRO CB C 20 32.891 32.891 32.226 0.665 18522 1179 1 3 . 1 1 9 9 GLY N N 21 108.426 108.426 111.428 -3.002 18522 1180 1 3 . 1 1 9 9 GLY C C 21 171.443 171.443 171.498 -0.055 18522 1181 1 3 . 1 1 9 9 GLY CA C 21 44.581 44.581 43.694 0.887 18522 1182 1 3 . 1 1 9 9 GLY H H 21 8.258 8.258 8.820 -0.562 18522 1183 1 3 . 1 1 10 10 LYS N N 22 117.372 117.372 122.176 -4.804 18522 1184 1 3 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.318 -1.279 18522 1185 1 3 . 1 1 10 10 LYS C C 22 174.463 174.463 174.718 -0.255 18522 1186 1 3 . 1 1 10 10 LYS CA C 22 55.263 55.263 54.923 0.340 18522 1187 1 3 . 1 1 10 10 LYS CB C 22 35.227 35.227 34.753 0.474 18522 1188 1 3 . 1 1 10 10 LYS H H 22 8.175 8.175 7.950 0.225 18522 1189 1 3 . 1 1 11 11 VAL N N 23 120.387 120.387 118.544 1.843 18522 1190 1 3 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.574 0.134 18522 1191 1 3 . 1 1 11 11 VAL C C 23 171.873 171.873 174.421 -2.548 18522 1192 1 3 . 1 1 11 11 VAL CA C 23 59.866 59.866 59.921 -0.055 18522 1193 1 3 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.772 -0.503 18522 1194 1 3 . 1 1 11 11 VAL H H 23 8.862 8.862 8.320 0.542 18522 1195 1 3 . 1 1 12 12 THR N N 24 125.797 125.797 118.904 6.893 18522 1196 1 3 . 1 1 12 12 THR HA H 24 5.121 5.121 5.058 0.063 18522 1197 1 3 . 1 1 12 12 THR C C 24 173.407 173.407 173.951 -0.544 18522 1198 1 3 . 1 1 12 12 THR CA C 24 62.115 62.115 60.165 1.950 18522 1199 1 3 . 1 1 12 12 THR CB C 24 69.606 69.606 69.401 0.205 18522 1200 1 3 . 1 1 12 12 THR H H 24 8.859 8.859 8.299 0.560 18522 1201 1 3 . 1 1 13 13 LEU N N 25 127.960 127.960 127.299 0.661 18522 1202 1 3 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.853 -0.044 18522 1203 1 3 . 1 1 13 13 LEU C C 25 175.029 175.029 175.107 -0.078 18522 1204 1 3 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.881 -0.258 18522 1205 1 3 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.075 1.167 18522 1206 1 3 . 1 1 13 13 LEU H H 25 9.258 9.258 8.355 0.903 18522 1207 1 3 . 1 1 14 14 GLN N N 26 120.858 120.858 117.530 3.328 18522 1208 1 3 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.600 -0.118 18522 1209 1 3 . 1 1 14 14 GLN C C 26 174.515 174.515 175.006 -0.491 18522 1210 1 3 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.327 0.249 18522 1211 1 3 . 1 1 14 14 GLN CB C 26 29.516 29.516 32.058 -2.542 18522 1212 1 3 . 1 1 14 14 GLN H H 26 8.530 8.530 8.355 0.175 18522 1213 1 3 . 1 1 15 15 LYS N N 27 119.583 119.583 122.811 -3.228 18522 1214 1 3 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.224 -0.044 18522 1215 1 3 . 1 1 15 15 LYS C C 27 177.468 177.468 176.913 0.555 18522 1216 1 3 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.931 -0.975 18522 1217 1 3 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.497 1.602 18522 1218 1 3 . 1 1 15 15 LYS H H 27 8.099 8.099 8.047 0.052 18522 1219 1 3 . 1 1 16 16 ASP N N 28 121.439 121.439 122.644 -1.205 18522 1220 1 3 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.634 -0.044 18522 1221 1 3 . 1 1 16 16 ASP C C 28 178.392 178.392 177.754 0.638 18522 1222 1 3 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.570 -1.144 18522 1223 1 3 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.726 -1.349 18522 1224 1 3 . 1 1 16 16 ASP H H 28 8.888 8.888 8.639 0.249 18522 1225 1 3 . 1 1 17 17 ALA N N 29 119.578 119.578 123.344 -3.766 18522 1226 1 3 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.077 0.111 18522 1227 1 3 . 1 1 17 17 ALA C C 29 178.763 178.763 178.085 0.678 18522 1228 1 3 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.548 -0.114 18522 1229 1 3 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.750 -0.457 18522 1230 1 3 . 1 1 17 17 ALA H H 29 8.392 8.392 8.690 -0.298 18522 1231 1 3 . 1 1 18 18 GLN N N 30 117.564 117.564 118.368 -0.804 18522 1232 1 3 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.382 0.017 18522 1233 1 3 . 1 1 18 18 GLN C C 30 175.168 175.168 175.365 -0.197 18522 1234 1 3 . 1 1 18 18 GLN CA C 30 55.339 55.339 54.719 0.620 18522 1235 1 3 . 1 1 18 18 GLN CB C 30 28.589 28.589 28.950 -0.361 18522 1236 1 3 . 1 1 18 18 GLN H H 30 8.353 8.353 7.792 0.561 18522 1237 1 3 . 1 1 19 19 ASN N N 31 115.365 115.365 115.124 0.241 18522 1238 1 3 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.372 -0.057 18522 1239 1 3 . 1 1 19 19 ASN C C 31 174.043 174.043 173.097 0.946 18522 1240 1 3 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.666 -0.363 18522 1241 1 3 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.541 0.069 18522 1242 1 3 . 1 1 19 19 ASN H H 31 8.521 8.521 8.284 0.237 18522 1243 1 3 . 1 1 20 20 LEU N N 32 118.660 118.660 112.326 6.334 18522 1244 1 3 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.846 0.054 18522 1245 1 3 . 1 1 20 20 LEU C C 32 178.117 178.117 176.553 1.564 18522 1246 1 3 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.378 0.579 18522 1247 1 3 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.730 1.044 18522 1248 1 3 . 1 1 20 20 LEU H H 32 8.155 8.155 7.413 0.742 18522 1249 1 3 . 1 1 21 21 ILE N N 33 116.785 116.785 116.243 0.542 18522 1250 1 3 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.436 0.238 18522 1251 1 3 . 1 1 21 21 ILE C C 33 176.185 176.185 176.585 -0.400 18522 1252 1 3 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.446 1.156 18522 1253 1 3 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.439 -0.423 18522 1254 1 3 . 1 1 21 21 ILE H H 33 11.488 11.488 8.370 3.118 18522 1255 1 3 . 1 1 22 22 GLY N N 34 111.234 111.234 108.454 2.780 18522 1256 1 3 . 1 1 22 22 GLY C C 34 173.993 173.993 174.197 -0.204 18522 1257 1 3 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.084 0.896 18522 1258 1 3 . 1 1 22 22 GLY H H 34 9.854 9.854 8.638 1.216 18522 1259 1 3 . 1 1 23 23 ILE N N 35 111.117 111.117 114.020 -2.903 18522 1260 1 3 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.232 0.303 18522 1261 1 3 . 1 1 23 23 ILE C C 35 175.033 175.033 173.943 1.090 18522 1262 1 3 . 1 1 23 23 ILE CA C 35 58.415 58.415 58.002 0.413 18522 1263 1 3 . 1 1 23 23 ILE CB C 35 41.577 41.577 42.395 -0.818 18522 1264 1 3 . 1 1 23 23 ILE H H 35 7.835 7.835 7.127 0.708 18522 1265 1 3 . 1 1 24 24 SER N N 36 114.908 114.908 115.595 -0.687 18522 1266 1 3 . 1 1 24 24 SER HA H 36 4.232 4.232 5.202 -0.970 18522 1267 1 3 . 1 1 24 24 SER C C 36 174.735 174.735 173.001 1.734 18522 1268 1 3 . 1 1 24 24 SER CA C 36 56.121 56.121 57.493 -1.373 18522 1269 1 3 . 1 1 24 24 SER CB C 36 66.097 66.097 65.789 0.308 18522 1270 1 3 . 1 1 24 24 SER H H 36 8.623 8.623 8.463 0.160 18522 1271 1 3 . 1 1 25 25 ILE N N 37 117.739 117.739 121.175 -3.436 18522 1272 1 3 . 1 1 25 25 ILE C C 37 174.340 174.340 174.305 0.035 18522 1273 1 3 . 1 1 25 25 ILE CA C 37 59.123 59.123 58.609 0.514 18522 1274 1 3 . 1 1 25 25 ILE CB C 37 41.637 41.637 41.793 -0.156 18522 1275 1 3 . 1 1 25 25 ILE H H 37 9.130 9.130 8.183 0.947 18522 1276 1 3 . 1 1 26 26 GLY N N 38 108.069 108.069 111.290 -3.221 18522 1277 1 3 . 1 1 26 26 GLY CA C 38 44.112 44.112 43.429 0.683 18522 1278 1 3 . 1 1 26 26 GLY H H 38 8.841 8.841 8.874 -0.033 18522 1279 1 3 . 1 1 27 27 GLY N N 39 109.016 109.016 108.890 0.126 18522 1280 1 3 . 1 1 27 27 GLY C C 39 173.956 173.956 175.765 -1.809 18522 1281 1 3 . 1 1 27 27 GLY H H 39 8.187 8.187 8.284 -0.096 18522 1282 1 3 . 1 1 28 28 GLY N N 40 111.783 111.783 107.731 4.052 18522 1283 1 3 . 1 1 28 28 GLY C C 40 174.255 174.255 173.668 0.587 18522 1284 1 3 . 1 1 28 28 GLY CA C 40 47.098 47.098 44.326 2.772 18522 1285 1 3 . 1 1 28 28 GLY H H 40 8.275 8.275 7.577 0.698 18522 1286 1 3 . 1 1 29 29 ALA N N 41 123.128 123.128 118.169 4.959 18522 1287 1 3 . 1 1 29 29 ALA HA H 41 4.559 4.559 3.773 0.786 18522 1288 1 3 . 1 1 29 29 ALA CA C 41 51.073 51.073 53.331 -2.258 18522 1289 1 3 . 1 1 29 29 ALA CB C 41 21.926 21.926 17.803 4.123 18522 1290 1 3 . 1 1 29 29 ALA H H 41 8.012 8.012 8.375 -0.363 18522 1291 1 3 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.241 0.308 18522 1292 1 3 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.785 -2.638 18522 1293 1 3 . 1 1 31 31 TYR CB C 43 37.495 37.495 39.498 -2.003 18522 1294 1 3 . 1 1 32 32 CYS N N 44 119.332 119.332 112.119 7.213 18522 1295 1 3 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.010 0.849 18522 1296 1 3 . 1 1 32 32 CYS CA C 44 57.406 57.406 59.268 -1.862 18522 1297 1 3 . 1 1 32 32 CYS CB C 44 27.673 27.673 27.738 -0.065 18522 1298 1 3 . 1 1 32 32 CYS H H 44 7.504 7.504 7.750 -0.246 18522 1299 1 3 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.478 -0.065 18522 1300 1 3 . 1 1 33 33 PRO CA C 45 64.885 64.885 63.053 1.832 18522 1301 1 3 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.535 -0.216 18522 1302 1 3 . 1 1 34 34 CYS N N 46 117.327 117.327 121.739 -4.412 18522 1303 1 3 . 1 1 34 34 CYS C C 46 172.064 172.064 176.176 -4.112 18522 1304 1 3 . 1 1 34 34 CYS CA C 46 60.066 60.066 62.882 -2.816 18522 1305 1 3 . 1 1 34 34 CYS CB C 46 28.715 28.715 28.063 0.652 18522 1306 1 3 . 1 1 34 34 CYS H H 46 7.973 7.973 8.597 -0.624 18522 1307 1 3 . 1 1 35 35 LEU N N 47 124.270 124.270 115.607 8.663 18522 1308 1 3 . 1 1 35 35 LEU HA H 47 4.928 4.928 3.797 1.131 18522 1309 1 3 . 1 1 35 35 LEU C C 47 175.076 175.076 177.315 -2.239 18522 1310 1 3 . 1 1 35 35 LEU CA C 47 53.278 53.278 57.498 -4.220 18522 1311 1 3 . 1 1 35 35 LEU CB C 47 44.321 44.321 40.020 4.301 18522 1312 1 3 . 1 1 35 35 LEU H H 47 8.629 8.629 8.202 0.427 18522 1313 1 3 . 1 1 36 36 TYR N N 48 119.326 119.326 112.734 6.592 18522 1314 1 3 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.200 1.055 18522 1315 1 3 . 1 1 36 36 TYR C C 48 175.766 175.766 176.929 -1.163 18522 1316 1 3 . 1 1 36 36 TYR CA C 48 56.696 56.696 60.871 -4.175 18522 1317 1 3 . 1 1 36 36 TYR CB C 48 42.590 42.590 36.641 5.949 18522 1318 1 3 . 1 1 36 36 TYR H H 48 8.761 8.761 8.144 0.617 18522 1319 1 3 . 1 1 37 37 ILE N N 49 120.259 120.259 121.989 -1.730 18522 1320 1 3 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.216 -0.001 18522 1321 1 3 . 1 1 37 37 ILE C C 49 177.429 177.429 177.032 0.397 18522 1322 1 3 . 1 1 37 37 ILE CA C 49 62.456 62.456 62.115 0.341 18522 1323 1 3 . 1 1 37 37 ILE CB C 49 37.352 37.352 38.112 -0.760 18522 1324 1 3 . 1 1 37 37 ILE H H 49 8.959 8.959 7.882 1.077 18522 1325 1 3 . 1 1 38 38 VAL HA H 50 3.937 3.937 4.353 -0.416 18522 1326 1 3 . 1 1 38 38 VAL C C 50 174.408 174.408 175.016 -0.608 18522 1327 1 3 . 1 1 38 38 VAL CA C 50 62.259 62.259 61.811 0.448 18522 1328 1 3 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.877 -1.293 18522 1329 1 3 . 1 1 39 39 GLN N N 51 116.821 116.821 119.414 -2.593 18522 1330 1 3 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.430 -0.327 18522 1331 1 3 . 1 1 39 39 GLN C C 51 172.856 172.856 172.973 -0.117 18522 1332 1 3 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.399 -0.272 18522 1333 1 3 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.555 -0.179 18522 1334 1 3 . 1 1 39 39 GLN H H 51 6.967 6.967 7.687 -0.720 18522 1335 1 3 . 1 1 40 40 VAL N N 52 123.482 123.482 122.358 1.124 18522 1336 1 3 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.507 -0.230 18522 1337 1 3 . 1 1 40 40 VAL C C 52 176.198 176.198 174.245 1.953 18522 1338 1 3 . 1 1 40 40 VAL CA C 52 61.574 61.574 60.044 1.530 18522 1339 1 3 . 1 1 40 40 VAL CB C 52 32.875 32.875 34.967 -2.092 18522 1340 1 3 . 1 1 40 40 VAL H H 52 8.447 8.447 8.101 0.346 18522 1341 1 3 . 1 1 41 41 PHE N N 53 128.296 128.296 123.867 4.429 18522 1342 1 3 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.752 -0.352 18522 1343 1 3 . 1 1 41 41 PHE C C 53 175.299 175.299 175.154 0.145 18522 1344 1 3 . 1 1 41 41 PHE CA C 53 58.494 58.494 58.114 0.380 18522 1345 1 3 . 1 1 41 41 PHE CB C 53 39.561 39.561 39.809 -0.248 18522 1346 1 3 . 1 1 41 41 PHE H H 53 8.707 8.707 8.138 0.569 18522 1347 1 3 . 1 1 42 42 ASP N N 54 122.696 122.696 115.813 6.883 18522 1348 1 3 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.658 -0.386 18522 1349 1 3 . 1 1 42 42 ASP C C 54 176.837 176.837 176.117 0.720 18522 1350 1 3 . 1 1 42 42 ASP CA C 54 55.291 55.291 54.946 0.345 18522 1351 1 3 . 1 1 42 42 ASP CB C 54 41.093 41.093 42.479 -1.386 18522 1352 1 3 . 1 1 42 42 ASP H H 54 8.901 8.901 8.470 0.431 18522 1353 1 3 . 1 1 43 43 ASN N N 55 113.923 113.923 116.730 -2.807 18522 1354 1 3 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.856 -0.598 18522 1355 1 3 . 1 1 43 43 ASN C C 55 173.714 173.714 174.832 -1.118 18522 1356 1 3 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.510 1.448 18522 1357 1 3 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.570 -2.420 18522 1358 1 3 . 1 1 43 43 ASN H H 55 9.319 9.319 8.295 1.024 18522 1359 1 3 . 1 1 44 44 THR N N 56 108.020 108.020 110.608 -2.588 18522 1360 1 3 . 1 1 44 44 THR HA H 56 5.377 5.377 4.837 0.540 18522 1361 1 3 . 1 1 44 44 THR CA C 56 59.712 59.712 59.072 0.640 18522 1362 1 3 . 1 1 44 44 THR CB C 56 69.529 69.529 70.136 -0.607 18522 1363 1 3 . 1 1 44 44 THR H H 56 7.149 7.149 7.520 -0.371 18522 1364 1 3 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.087 0.217 18522 1365 1 3 . 1 1 45 45 PRO C C 57 180.141 180.141 177.852 2.289 18522 1366 1 3 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.622 0.468 18522 1367 1 3 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.515 1.679 18522 1368 1 3 . 1 1 46 46 ALA N N 58 116.854 116.854 119.296 -2.442 18522 1369 1 3 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.017 0.018 18522 1370 1 3 . 1 1 46 46 ALA C C 58 180.647 180.647 179.395 1.252 18522 1371 1 3 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.167 0.028 18522 1372 1 3 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.116 0.764 18522 1373 1 3 . 1 1 46 46 ALA H H 58 8.938 8.938 7.942 0.996 18522 1374 1 3 . 1 1 47 47 ALA N N 59 123.250 123.250 121.018 2.232 18522 1375 1 3 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.064 -0.034 18522 1376 1 3 . 1 1 47 47 ALA C C 59 179.852 179.852 179.731 0.121 18522 1377 1 3 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.683 0.256 18522 1378 1 3 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.774 0.914 18522 1379 1 3 . 1 1 47 47 ALA H H 59 7.658 7.658 7.390 0.268 18522 1380 1 3 . 1 1 48 48 LEU N N 60 118.654 118.654 118.245 0.409 18522 1381 1 3 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.133 -0.107 18522 1382 1 3 . 1 1 48 48 LEU C C 60 179.238 179.238 178.157 1.081 18522 1383 1 3 . 1 1 48 48 LEU CA C 60 57.261 57.261 57.795 -0.534 18522 1384 1 3 . 1 1 48 48 LEU CB C 60 41.445 41.445 41.711 -0.265 18522 1385 1 3 . 1 1 48 48 LEU H H 60 8.636 8.636 8.444 0.192 18522 1386 1 3 . 1 1 49 49 ASP N N 61 117.382 117.382 119.244 -1.862 18522 1387 1 3 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.626 -0.205 18522 1388 1 3 . 1 1 49 49 ASP C C 61 177.668 177.668 177.639 0.029 18522 1389 1 3 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.520 2.567 18522 1390 1 3 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.676 2.802 18522 1391 1 3 . 1 1 49 49 ASP H H 61 7.665 7.665 7.724 -0.059 18522 1392 1 3 . 1 1 50 50 GLY N N 62 103.228 103.228 109.764 -6.536 18522 1393 1 3 . 1 1 50 50 GLY C C 62 174.776 174.776 175.173 -0.397 18522 1394 1 3 . 1 1 50 50 GLY CA C 62 46.533 46.533 46.041 0.492 18522 1395 1 3 . 1 1 50 50 GLY H H 62 7.216 7.216 8.163 -0.947 18522 1396 1 3 . 1 1 51 51 THR N N 63 117.230 117.230 111.256 5.974 18522 1397 1 3 . 1 1 51 51 THR HA H 63 3.907 3.907 3.827 0.080 18522 1398 1 3 . 1 1 51 51 THR C C 63 175.961 175.961 173.932 2.029 18522 1399 1 3 . 1 1 51 51 THR CA C 63 66.478 66.478 63.435 3.042 18522 1400 1 3 . 1 1 51 51 THR CB C 63 68.268 68.268 66.244 2.024 18522 1401 1 3 . 1 1 51 51 THR H H 63 8.319 8.319 7.852 0.467 18522 1402 1 3 . 1 1 52 52 VAL N N 64 113.826 113.826 113.218 0.608 18522 1403 1 3 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.132 -0.182 18522 1404 1 3 . 1 1 52 52 VAL C C 64 173.883 173.883 174.681 -0.798 18522 1405 1 3 . 1 1 52 52 VAL CA C 64 60.708 60.708 59.964 0.744 18522 1406 1 3 . 1 1 52 52 VAL CB C 64 33.079 33.079 31.023 2.056 18522 1407 1 3 . 1 1 52 52 VAL H H 64 8.147 8.147 7.268 0.879 18522 1408 1 3 . 1 1 53 53 ALA N N 65 123.521 123.521 123.818 -0.297 18522 1409 1 3 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.489 -0.075 18522 1410 1 3 . 1 1 53 53 ALA C C 65 175.247 175.247 176.440 -1.193 18522 1411 1 3 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.713 -0.273 18522 1412 1 3 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.742 2.524 18522 1413 1 3 . 1 1 53 53 ALA H H 65 8.633 8.633 7.303 1.330 18522 1414 1 3 . 1 1 54 54 ALA N N 66 120.818 120.818 122.389 -1.571 18522 1415 1 3 . 1 1 54 54 ALA HA H 66 3.720 3.720 3.874 -0.154 18522 1416 1 3 . 1 1 54 54 ALA C C 66 178.411 178.411 177.627 0.784 18522 1417 1 3 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.308 -0.292 18522 1418 1 3 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.691 0.149 18522 1419 1 3 . 1 1 54 54 ALA H H 66 8.451 8.451 8.342 0.109 18522 1420 1 3 . 1 1 55 55 GLY N N 67 112.260 112.260 113.723 -1.463 18522 1421 1 3 . 1 1 55 55 GLY C C 67 173.296 173.296 174.464 -1.168 18522 1422 1 3 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.663 0.362 18522 1423 1 3 . 1 1 55 55 GLY H H 67 9.600 9.600 8.383 1.217 18522 1424 1 3 . 1 1 56 56 ASP N N 68 121.293 121.293 122.935 -1.642 18522 1425 1 3 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.760 0.101 18522 1426 1 3 . 1 1 56 56 ASP C C 68 174.937 174.937 174.830 0.107 18522 1427 1 3 . 1 1 56 56 ASP CA C 68 55.641 55.641 54.929 0.712 18522 1428 1 3 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.041 -1.345 18522 1429 1 3 . 1 1 56 56 ASP H H 68 8.043 8.043 7.692 0.351 18522 1430 1 3 . 1 1 57 57 GLU N N 69 122.814 122.814 122.103 0.711 18522 1431 1 3 . 1 1 57 57 GLU C C 69 177.202 177.202 176.076 1.126 18522 1432 1 3 . 1 1 57 57 GLU CA C 69 54.472 54.472 55.327 -0.855 18522 1433 1 3 . 1 1 57 57 GLU CB C 69 32.800 32.800 30.343 2.457 18522 1434 1 3 . 1 1 57 57 GLU H H 69 8.455 8.455 8.164 0.291 18522 1435 1 3 . 1 1 58 58 ILE N N 70 125.862 125.862 126.017 -0.155 18522 1436 1 3 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.107 0.419 18522 1437 1 3 . 1 1 58 58 ILE C C 70 175.035 175.035 175.445 -0.410 18522 1438 1 3 . 1 1 58 58 ILE CA C 70 60.918 60.918 62.012 -1.094 18522 1439 1 3 . 1 1 58 58 ILE CB C 70 39.236 39.236 38.012 1.224 18522 1440 1 3 . 1 1 58 58 ILE H H 70 8.619 8.619 8.203 0.416 18522 1441 1 3 . 1 1 59 59 THR N N 71 115.507 115.507 119.914 -4.407 18522 1442 1 3 . 1 1 59 59 THR HA H 71 4.513 4.513 4.313 0.200 18522 1443 1 3 . 1 1 59 59 THR C C 71 176.425 176.425 173.956 2.469 18522 1444 1 3 . 1 1 59 59 THR CA C 71 61.158 61.158 61.741 -0.583 18522 1445 1 3 . 1 1 59 59 THR CB C 71 69.604 69.604 70.768 -1.164 18522 1446 1 3 . 1 1 59 59 THR H H 71 9.242 9.242 8.975 0.267 18522 1447 1 3 . 1 1 60 60 GLY N N 72 111.789 111.789 109.343 2.446 18522 1448 1 3 . 1 1 60 60 GLY C C 72 170.981 170.981 171.105 -0.124 18522 1449 1 3 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.075 1.479 18522 1450 1 3 . 1 1 60 60 GLY H H 72 7.883 7.883 7.826 0.057 18522 1451 1 3 . 1 1 61 61 VAL N N 73 119.277 119.277 120.747 -1.470 18522 1452 1 3 . 1 1 61 61 VAL C C 73 175.951 175.951 175.521 0.430 18522 1453 1 3 . 1 1 61 61 VAL CA C 73 60.982 60.982 59.077 1.905 18522 1454 1 3 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.672 1.526 18522 1455 1 3 . 1 1 61 61 VAL H H 73 8.424 8.424 8.831 -0.407 18522 1456 1 3 . 1 1 62 62 ASN N N 74 127.731 127.731 126.885 0.846 18522 1457 1 3 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.384 0.136 18522 1458 1 3 . 1 1 62 62 ASN C C 74 174.878 174.878 174.978 -0.100 18522 1459 1 3 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.704 -0.286 18522 1460 1 3 . 1 1 62 62 ASN CB C 74 36.655 36.655 37.556 -0.901 18522 1461 1 3 . 1 1 62 62 ASN H H 74 10.384 10.384 9.443 0.941 18522 1462 1 3 . 1 1 63 63 GLY N N 75 104.633 104.633 101.145 3.488 18522 1463 1 3 . 1 1 63 63 GLY C C 75 173.610 173.610 173.565 0.045 18522 1464 1 3 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.658 0.603 18522 1465 1 3 . 1 1 63 63 GLY H H 75 8.926 8.926 8.166 0.760 18522 1466 1 3 . 1 1 64 64 ARG N N 76 120.451 120.451 121.572 -1.121 18522 1467 1 3 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.676 -0.175 18522 1468 1 3 . 1 1 64 64 ARG C C 76 175.085 175.085 175.502 -0.417 18522 1469 1 3 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.276 -0.025 18522 1470 1 3 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.627 -0.145 18522 1471 1 3 . 1 1 64 64 ARG H H 76 7.753 7.753 8.099 -0.346 18522 1472 1 3 . 1 1 65 65 SER N N 77 116.586 116.586 119.608 -3.022 18522 1473 1 3 . 1 1 65 65 SER HA H 77 4.483 4.483 4.703 -0.220 18522 1474 1 3 . 1 1 65 65 SER C C 77 176.953 176.953 175.744 1.209 18522 1475 1 3 . 1 1 65 65 SER CA C 77 58.292 58.292 58.575 -0.283 18522 1476 1 3 . 1 1 65 65 SER CB C 77 63.643 63.643 63.812 -0.169 18522 1477 1 3 . 1 1 65 65 SER H H 77 8.555 8.555 8.798 -0.243 18522 1478 1 3 . 1 1 66 66 ILE N N 78 116.618 116.618 118.865 -2.247 18522 1479 1 3 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.106 0.314 18522 1480 1 3 . 1 1 66 66 ILE C C 78 175.072 175.072 177.892 -2.820 18522 1481 1 3 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.603 -2.481 18522 1482 1 3 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.073 -0.315 18522 1483 1 3 . 1 1 66 66 ILE H H 78 7.599 7.599 8.240 -0.641 18522 1484 1 3 . 1 1 67 67 LYS N N 79 123.287 123.287 121.438 1.849 18522 1485 1 3 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.201 -0.152 18522 1486 1 3 . 1 1 67 67 LYS C C 79 178.333 178.333 177.834 0.499 18522 1487 1 3 . 1 1 67 67 LYS CA C 79 58.321 58.321 57.569 0.752 18522 1488 1 3 . 1 1 67 67 LYS CB C 79 31.635 31.635 31.891 -0.256 18522 1489 1 3 . 1 1 67 67 LYS H H 79 7.898 7.898 8.210 -0.312 18522 1490 1 3 . 1 1 68 68 GLY N N 80 114.933 114.933 107.099 7.834 18522 1491 1 3 . 1 1 68 68 GLY C C 80 174.385 174.385 174.498 -0.113 18522 1492 1 3 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.925 -0.407 18522 1493 1 3 . 1 1 68 68 GLY H H 80 8.999 8.999 7.614 1.385 18522 1494 1 3 . 1 1 69 69 LYS N N 81 119.403 119.403 118.754 0.649 18522 1495 1 3 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.663 -0.620 18522 1496 1 3 . 1 1 69 69 LYS C C 81 177.064 177.064 174.586 2.478 18522 1497 1 3 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.074 -0.352 18522 1498 1 3 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.696 -0.135 18522 1499 1 3 . 1 1 69 69 LYS H H 81 7.845 7.845 7.747 0.098 18522 1500 1 3 . 1 1 70 70 THR N N 82 112.066 112.066 108.777 3.289 18522 1501 1 3 . 1 1 70 70 THR HA H 82 4.666 4.666 4.731 -0.065 18522 1502 1 3 . 1 1 70 70 THR C C 82 175.955 175.955 175.516 0.439 18522 1503 1 3 . 1 1 70 70 THR CA C 82 60.438 60.438 59.112 1.326 18522 1504 1 3 . 1 1 70 70 THR CB C 82 71.629 71.629 72.572 -0.943 18522 1505 1 3 . 1 1 70 70 THR H H 82 9.153 9.153 7.845 1.308 18522 1506 1 3 . 1 1 71 71 LYS N N 83 118.730 118.730 121.504 -2.774 18522 1507 1 3 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.996 -0.126 18522 1508 1 3 . 1 1 71 71 LYS C C 83 177.464 177.464 178.750 -1.286 18522 1509 1 3 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.965 0.392 18522 1510 1 3 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.652 -0.302 18522 1511 1 3 . 1 1 71 71 LYS H H 83 8.969 8.969 8.889 0.080 18522 1512 1 3 . 1 1 72 72 VAL N N 84 117.444 117.444 118.858 -1.414 18522 1513 1 3 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.829 -0.196 18522 1514 1 3 . 1 1 72 72 VAL C C 84 178.315 178.315 177.363 0.952 18522 1515 1 3 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.501 0.578 18522 1516 1 3 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.309 0.782 18522 1517 1 3 . 1 1 72 72 VAL H H 84 7.631 7.631 8.186 -0.555 18522 1518 1 3 . 1 1 73 73 GLU N N 85 120.890 120.890 119.434 1.456 18522 1519 1 3 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.107 -0.143 18522 1520 1 3 . 1 1 73 73 GLU C C 85 179.971 179.971 178.960 1.011 18522 1521 1 3 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.438 -0.122 18522 1522 1 3 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.688 0.667 18522 1523 1 3 . 1 1 73 73 GLU H H 85 7.617 7.617 7.662 -0.045 18522 1524 1 3 . 1 1 74 74 VAL N N 86 121.246 121.246 118.337 2.909 18522 1525 1 3 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.807 -0.177 18522 1526 1 3 . 1 1 74 74 VAL C C 86 177.217 177.217 177.732 -0.515 18522 1527 1 3 . 1 1 74 74 VAL CA C 86 66.678 66.678 66.108 0.570 18522 1528 1 3 . 1 1 74 74 VAL CB C 86 31.307 31.307 30.516 0.791 18522 1529 1 3 . 1 1 74 74 VAL H H 86 8.368 8.368 8.620 -0.252 18522 1530 1 3 . 1 1 75 75 ALA N N 87 122.148 122.148 122.825 -0.677 18522 1531 1 3 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.964 -0.017 18522 1532 1 3 . 1 1 75 75 ALA C C 87 179.545 179.545 179.328 0.217 18522 1533 1 3 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.386 0.465 18522 1534 1 3 . 1 1 75 75 ALA CB C 87 18.491 18.491 18.108 0.383 18522 1535 1 3 . 1 1 75 75 ALA H H 87 8.577 8.577 7.878 0.699 18522 1536 1 3 . 1 1 76 76 LYS N N 88 117.733 117.733 119.585 -1.852 18522 1537 1 3 . 1 1 76 76 LYS HA H 88 4.051 4.051 4.015 0.036 18522 1538 1 3 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.487 -0.094 18522 1539 1 3 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.412 -0.354 18522 1540 1 3 . 1 1 76 76 LYS H H 88 7.854 7.854 7.516 0.338 18522 1541 1 3 . 1 1 77 77 MET N N 89 117.676 117.676 118.139 -0.463 18522 1542 1 3 . 1 1 77 77 MET HA H 89 4.048 4.048 4.130 -0.082 18522 1543 1 3 . 1 1 77 77 MET C C 89 178.791 178.791 179.004 -0.213 18522 1544 1 3 . 1 1 77 77 MET CA C 89 59.128 59.128 58.306 0.822 18522 1545 1 3 . 1 1 77 77 MET CB C 89 33.801 33.801 31.870 1.931 18522 1546 1 3 . 1 1 77 77 MET H H 89 7.759 7.759 8.469 -0.710 18522 1547 1 3 . 1 1 78 78 ILE N N 90 117.305 117.305 118.737 -1.432 18522 1548 1 3 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.634 -0.044 18522 1549 1 3 . 1 1 78 78 ILE C C 90 178.658 178.658 178.151 0.507 18522 1550 1 3 . 1 1 78 78 ILE CA C 90 65.482 65.482 65.345 0.137 18522 1551 1 3 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.689 1.156 18522 1552 1 3 . 1 1 78 78 ILE H H 90 7.972 7.972 8.019 -0.047 18522 1553 1 3 . 1 1 79 79 GLN N N 91 120.935 120.935 118.652 2.283 18522 1554 1 3 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.309 -0.311 18522 1555 1 3 . 1 1 79 79 GLN C C 91 178.274 178.274 178.695 -0.421 18522 1556 1 3 . 1 1 79 79 GLN CA C 91 59.151 59.151 58.048 1.103 18522 1557 1 3 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.726 0.208 18522 1558 1 3 . 1 1 79 79 GLN H H 91 8.826 8.826 8.250 0.576 18522 1559 1 3 . 1 1 80 80 GLU N N 92 115.213 115.213 122.260 -7.047 18522 1560 1 3 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.074 -0.013 18522 1561 1 3 . 1 1 80 80 GLU C C 92 176.824 176.824 178.631 -1.807 18522 1562 1 3 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.295 -1.289 18522 1563 1 3 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.439 0.451 18522 1564 1 3 . 1 1 80 80 GLU H H 92 8.020 8.020 8.609 -0.589 18522 1565 1 3 . 1 1 81 81 VAL N N 93 119.047 119.047 113.690 5.357 18522 1566 1 3 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.866 0.064 18522 1567 1 3 . 1 1 81 81 VAL C C 93 176.016 176.016 176.254 -0.238 18522 1568 1 3 . 1 1 81 81 VAL CA C 93 63.153 63.153 64.441 -1.288 18522 1569 1 3 . 1 1 81 81 VAL CB C 93 32.154 32.154 32.031 0.123 18522 1570 1 3 . 1 1 81 81 VAL H H 93 7.073 7.073 7.534 -0.461 18522 1571 1 3 . 1 1 82 82 LYS N N 94 128.366 128.366 118.202 10.164 18522 1572 1 3 . 1 1 82 82 LYS C C 94 177.460 177.460 177.535 -0.075 18522 1573 1 3 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.074 -1.321 18522 1574 1 3 . 1 1 82 82 LYS CB C 94 32.332 32.332 31.961 0.371 18522 1575 1 3 . 1 1 82 82 LYS H H 94 8.762 8.762 7.509 1.253 18522 1576 1 3 . 1 1 83 83 GLY N N 95 112.528 112.528 109.152 3.376 18522 1577 1 3 . 1 1 83 83 GLY C C 95 173.468 173.468 173.704 -0.236 18522 1578 1 3 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.485 0.758 18522 1579 1 3 . 1 1 83 83 GLY H H 95 8.673 8.673 8.957 -0.284 18522 1580 1 3 . 1 1 84 84 GLU N N 96 121.485 121.485 120.473 1.012 18522 1581 1 3 . 1 1 84 84 GLU HA H 96 4.749 4.749 5.097 -0.348 18522 1582 1 3 . 1 1 84 84 GLU C C 96 174.583 174.583 174.323 0.260 18522 1583 1 3 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.931 0.890 18522 1584 1 3 . 1 1 84 84 GLU CB C 96 31.410 31.410 34.080 -2.670 18522 1585 1 3 . 1 1 84 84 GLU H H 96 8.297 8.297 7.932 0.365 18522 1586 1 3 . 1 1 85 85 VAL N N 97 120.501 120.501 111.348 9.153 18522 1587 1 3 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.585 0.080 18522 1588 1 3 . 1 1 85 85 VAL C C 97 173.047 173.047 174.219 -1.172 18522 1589 1 3 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.341 -0.227 18522 1590 1 3 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.386 -0.202 18522 1591 1 3 . 1 1 85 85 VAL H H 97 9.096 9.096 8.706 0.390 18522 1592 1 3 . 1 1 86 86 THR N N 98 125.019 125.019 121.220 3.799 18522 1593 1 3 . 1 1 86 86 THR HA H 98 4.076 4.076 5.122 -1.046 18522 1594 1 3 . 1 1 86 86 THR C C 98 173.807 173.807 173.798 0.009 18522 1595 1 3 . 1 1 86 86 THR CA C 98 61.735 61.735 61.941 -0.206 18522 1596 1 3 . 1 1 86 86 THR CB C 98 69.531 69.531 69.936 -0.405 18522 1597 1 3 . 1 1 86 86 THR H H 98 9.352 9.352 8.573 0.779 18522 1598 1 3 . 1 1 87 87 ILE N N 99 128.383 128.383 124.510 3.873 18522 1599 1 3 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.746 -0.085 18522 1600 1 3 . 1 1 87 87 ILE C C 99 174.614 174.614 174.471 0.143 18522 1601 1 3 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.550 -1.292 18522 1602 1 3 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.307 0.221 18522 1603 1 3 . 1 1 87 87 ILE H H 99 9.329 9.329 8.972 0.357 18522 1604 1 3 . 1 1 88 88 HIS N N 100 128.279 128.279 126.371 1.908 18522 1605 1 3 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.416 -0.468 18522 1606 1 3 . 1 1 88 88 HIS C C 100 174.787 174.787 174.730 0.057 18522 1607 1 3 . 1 1 88 88 HIS CA C 100 54.620 54.620 53.917 0.703 18522 1608 1 3 . 1 1 88 88 HIS H H 100 8.647 8.647 9.138 -0.491 18522 1609 1 3 . 1 1 89 89 TYR N N 101 121.320 121.320 121.900 -0.580 18522 1610 1 3 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.243 0.704 18522 1611 1 3 . 1 1 89 89 TYR C C 101 173.769 173.769 172.876 0.893 18522 1612 1 3 . 1 1 89 89 TYR CA C 101 55.669 55.669 55.467 0.202 18522 1613 1 3 . 1 1 89 89 TYR CB C 101 42.195 42.195 40.542 1.653 18522 1614 1 3 . 1 1 89 89 TYR H H 101 8.414 8.414 9.077 -0.663 18522 1615 1 3 . 1 1 90 90 ASN N N 102 116.679 116.679 117.317 -0.638 18522 1616 1 3 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.565 -0.230 18522 1617 1 3 . 1 1 90 90 ASN C C 102 175.406 175.406 173.818 1.588 18522 1618 1 3 . 1 1 90 90 ASN CA C 102 51.961 51.961 52.187 -0.226 18522 1619 1 3 . 1 1 90 90 ASN CB C 102 41.800 41.800 43.390 -1.590 18522 1620 1 3 . 1 1 90 90 ASN H H 102 9.282 9.282 8.966 0.316 18522 1621 1 3 . 1 1 91 91 LYS N N 103 124.129 124.129 119.276 4.853 18522 1622 1 3 . 1 1 91 91 LYS C C 103 176.678 176.678 174.746 1.932 18522 1623 1 3 . 1 1 91 91 LYS CA C 103 55.006 55.006 56.053 -1.047 18522 1624 1 3 . 1 1 91 91 LYS H H 103 8.949 8.949 8.362 0.587 18522 1625 1 3 . 1 1 92 92 LEU N N 104 127.043 127.043 123.376 3.667 18522 1626 1 3 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.761 -0.336 18522 1627 1 3 . 1 1 92 92 LEU CA C 104 55.060 55.060 53.105 1.955 18522 1628 1 3 . 1 1 92 92 LEU CB C 104 42.559 42.559 43.786 -1.227 18522 1629 1 3 . 1 1 92 92 LEU H H 104 9.150 9.150 9.266 -0.116 18522 1630 1 3 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.411 -0.096 18522 1631 1 3 . 1 1 93 93 GLN C C 105 175.070 175.070 176.099 -1.029 18522 1632 1 3 . 1 1 93 93 GLN CA C 105 55.490 55.490 55.535 -0.045 18522 1633 1 3 . 1 1 93 93 GLN CB C 105 28.909 28.909 28.874 0.035 18522 1634 1 3 . 1 1 94 94 ALA N N 106 125.133 125.133 123.388 1.745 18522 1635 1 3 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.081 0.285 18522 1636 1 3 . 1 1 94 94 ALA C C 106 176.392 176.392 176.109 0.283 18522 1637 1 3 . 1 1 94 94 ALA CA C 106 51.723 51.723 52.720 -0.997 18522 1638 1 3 . 1 1 94 94 ALA CB C 106 20.185 20.185 18.627 1.558 18522 1639 1 3 . 1 1 94 94 ALA H H 106 8.226 8.226 8.054 0.172 18522 1640 1 3 . 1 1 95 95 ASP N N 107 122.013 122.013 118.570 3.443 18522 1641 1 3 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.686 -0.273 18522 1642 1 3 . 1 1 95 95 ASP C C 107 175.019 175.019 174.512 0.507 18522 1643 1 3 . 1 1 95 95 ASP CA C 107 55.642 55.642 52.457 3.185 18522 1644 1 3 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.615 -1.349 18522 1645 1 3 . 1 1 95 95 ASP H H 107 8.429 8.429 7.995 0.434 18522 1646 1 3 . 1 1 96 96 PRO HA H 108 4.207 4.207 4.027 0.180 18522 1647 1 3 . 1 1 96 96 PRO C C 108 178.840 178.840 178.034 0.806 18522 1648 1 3 . 1 1 96 96 PRO CA C 108 65.396 65.396 65.851 -0.455 18522 1649 1 3 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.876 0.305 18522 1650 1 3 . 1 1 97 97 LYS N N 109 117.942 117.942 115.847 2.095 18522 1651 1 3 . 1 1 97 97 LYS HA H 109 4.143 4.143 3.988 0.155 18522 1652 1 3 . 1 1 97 97 LYS C C 109 178.099 178.099 179.203 -1.104 18522 1653 1 3 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.243 -1.076 18522 1654 1 3 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.493 0.156 18522 1655 1 3 . 1 1 97 97 LYS H H 109 8.335 8.335 7.890 0.445 18522 1656 1 3 . 1 1 98 98 GLN N N 110 119.159 119.159 118.103 1.056 18522 1657 1 3 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.290 -0.160 18522 1658 1 3 . 1 1 98 98 GLN C C 110 178.298 178.298 178.369 -0.071 18522 1659 1 3 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.016 0.644 18522 1660 1 3 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.523 0.197 18522 1661 1 3 . 1 1 98 98 GLN H H 110 7.985 7.985 8.120 -0.135 18522 1662 1 3 . 1 1 99 99 LEU N N 111 120.490 120.490 122.688 -2.198 18522 1663 1 3 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.257 -0.380 18522 1664 1 3 . 1 1 99 99 LEU C C 111 177.729 177.729 178.298 -0.569 18522 1665 1 3 . 1 1 99 99 LEU CA C 111 57.049 57.049 57.793 -0.744 18522 1666 1 3 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.896 -0.430 18522 1667 1 3 . 1 1 99 99 LEU H H 111 7.994 7.994 8.396 -0.402 18522 1668 1 3 . 1 1 100 100 GLU N N 112 118.251 118.251 118.085 0.166 18522 1669 1 3 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.230 -0.258 18522 1670 1 3 . 1 1 100 100 GLU C C 112 178.402 178.402 178.398 0.004 18522 1671 1 3 . 1 1 100 100 GLU CA C 112 59.056 59.056 58.962 0.094 18522 1672 1 3 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.103 0.629 18522 1673 1 3 . 1 1 100 100 GLU H H 112 7.760 7.760 8.165 -0.405 18522 1674 1 3 . 1 1 101 101 VAL N N 113 117.229 117.229 118.796 -1.567 18522 1675 1 3 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.815 -0.053 18522 1676 1 3 . 1 1 101 101 VAL C C 113 178.107 178.107 178.139 -0.032 18522 1677 1 3 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.454 -0.662 18522 1678 1 3 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.539 0.610 18522 1679 1 3 . 1 1 101 101 VAL H H 113 7.437 7.437 7.473 -0.036 18522 1680 1 3 . 1 1 102 102 LEU N N 114 122.124 122.124 118.960 3.164 18522 1681 1 3 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.201 -0.168 18522 1682 1 3 . 1 1 102 102 LEU C C 114 178.506 178.506 178.229 0.277 18522 1683 1 3 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.955 0.288 18522 1684 1 3 . 1 1 102 102 LEU CB C 114 42.028 42.028 42.044 -0.016 18522 1685 1 3 . 1 1 102 102 LEU H H 114 7.765 7.765 7.208 0.557 18522 1686 1 3 . 1 1 103 103 PHE N N 115 115.346 115.346 119.653 -4.307 18522 1687 1 3 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.682 -0.458 18522 1688 1 3 . 1 1 103 103 PHE C C 115 175.621 175.621 174.569 1.052 18522 1689 1 3 . 1 1 103 103 PHE CA C 115 57.537 57.537 54.958 2.579 18522 1690 1 3 . 1 1 103 103 PHE CB C 115 38.057 38.057 38.438 -0.381 18522 1691 1 3 . 1 1 103 103 PHE H H 115 7.805 7.805 7.607 0.198 18522 1692 1 3 . 1 1 104 104 GLN N N 116 119.021 119.021 119.931 -0.910 18522 1693 1 3 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.191 0.216 18522 1694 1 3 . 1 1 104 104 GLN C C 116 176.402 176.402 176.078 0.324 18522 1695 1 3 . 1 1 104 104 GLN CA C 116 55.521 55.521 55.892 -0.370 18522 1696 1 3 . 1 1 104 104 GLN CB C 116 29.170 29.170 27.054 2.116 18522 1697 1 3 . 1 1 104 104 GLN H H 116 7.974 7.974 7.290 0.684 18522 1698 1 3 . 1 1 105 105 GLY N N 117 108.868 108.868 111.944 -3.076 18522 1699 1 3 . 1 1 105 105 GLY CA C 117 45.124 45.124 44.574 0.550 18522 1700 1 3 . 1 1 105 105 GLY H H 117 8.195 8.195 7.785 0.410 18522 1701 1 3 . 1 1 106 106 PRO HA H 118 4.490 4.490 2.814 1.676 18522 1702 1 3 . 1 1 106 106 PRO C C 118 176.001 176.001 175.213 0.788 18522 1703 1 3 . 1 1 106 106 PRO CA C 118 63.523 63.523 62.830 0.693 18522 1704 1 3 . 1 1 106 106 PRO CB C 118 32.078 32.078 31.892 0.186 18522 1705 1 3 . 1 1 107 107 GLN N N 119 126.950 126.950 121.575 5.375 18522 1706 1 3 . 1 1 107 107 GLN C C 119 181.211 181.211 173.925 7.286 18522 1707 1 3 . 1 1 107 107 GLN CA C 119 57.416 57.416 54.177 3.239 18522 1708 1 3 . 1 1 107 107 GLN H H 119 8.079 8.079 8.000 0.079 18522 1709 1 3 . 1 1 111 111 ARG C C 123 174.608 174.608 174.642 -0.034 18522 1710 1 3 . 1 1 111 111 ARG CA C 123 55.099 55.099 54.344 0.755 18522 1711 1 3 . 1 1 112 112 HIS N N 124 122.212 122.212 121.408 0.804 18522 1712 1 3 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.113 0.605 18522 1713 1 3 . 1 1 112 112 HIS C C 124 176.040 176.040 175.532 0.508 18522 1714 1 3 . 1 1 112 112 HIS CA C 124 54.213 54.213 57.014 -2.801 18522 1715 1 3 . 1 1 112 112 HIS CB C 124 31.164 31.164 30.306 0.858 18522 1716 1 3 . 1 1 112 112 HIS H H 124 7.640 7.640 8.430 -0.790 18522 1717 1 3 . 1 1 113 113 TRP C C 125 176.168 176.168 176.453 -0.285 18522 1718 1 3 . 1 1 114 114 LEU N N 126 121.893 121.893 120.960 0.933 18522 1719 1 3 . 1 1 114 114 LEU HA H 126 4.869 4.869 5.028 -0.159 18522 1720 1 3 . 1 1 114 114 LEU CA C 126 54.151 54.151 54.194 -0.042 18522 1721 1 3 . 1 1 114 114 LEU CB C 126 45.144 45.144 43.616 1.528 18522 1722 1 3 . 1 1 114 114 LEU H H 126 8.606 8.606 8.491 0.115 18522 1723 1 3 . 1 1 115 115 LYS N N 127 125.850 125.850 118.818 7.032 18522 1724 1 3 . 1 1 115 115 LYS HA H 127 4.203 4.203 4.978 -0.775 18522 1725 1 3 . 1 1 115 115 LYS C C 127 175.564 175.564 174.605 0.959 18522 1726 1 3 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.312 1.940 18522 1727 1 3 . 1 1 115 115 LYS CB C 127 33.406 33.406 34.369 -0.963 18522 1728 1 3 . 1 1 115 115 LYS H H 127 8.647 8.647 8.413 0.234 18522 1729 1 4 . 1 1 3 3 PRO C C 15 177.225 177.225 176.116 1.109 18522 1730 1 4 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.786 0.722 18522 1731 1 4 . 1 1 3 3 PRO CB C 15 32.090 32.090 29.993 2.097 18522 1732 1 4 . 1 1 4 4 GLY N N 16 108.829 108.829 111.593 -2.764 18522 1733 1 4 . 1 1 4 4 GLY C C 16 173.398 173.398 174.021 -0.623 18522 1734 1 4 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.441 0.687 18522 1735 1 4 . 1 1 4 4 GLY H H 16 8.489 8.489 8.173 0.316 18522 1736 1 4 . 1 1 5 5 ILE N N 17 121.763 121.763 121.822 -0.059 18522 1737 1 4 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.615 -0.061 18522 1738 1 4 . 1 1 5 5 ILE C C 17 174.332 174.332 175.083 -0.751 18522 1739 1 4 . 1 1 5 5 ILE CA C 17 58.245 58.245 57.165 1.080 18522 1740 1 4 . 1 1 5 5 ILE CB C 17 38.762 38.762 37.213 1.549 18522 1741 1 4 . 1 1 5 5 ILE H H 17 8.014 8.014 7.627 0.387 18522 1742 1 4 . 1 1 6 6 PRO C C 18 176.437 176.437 176.169 0.268 18522 1743 1 4 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.005 -1.338 18522 1744 1 4 . 1 1 6 6 PRO CB C 18 32.469 32.469 32.105 0.364 18522 1745 1 4 . 1 1 7 7 VAL N N 19 123.849 123.849 119.771 4.078 18522 1746 1 4 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.397 0.153 18522 1747 1 4 . 1 1 7 7 VAL C C 19 174.453 174.453 173.838 0.615 18522 1748 1 4 . 1 1 7 7 VAL CA C 19 59.846 59.846 59.826 0.020 18522 1749 1 4 . 1 1 7 7 VAL CB C 19 33.510 33.510 32.182 1.328 18522 1750 1 4 . 1 1 7 7 VAL H H 19 8.754 8.754 8.021 0.733 18522 1751 1 4 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.960 0.378 18522 1752 1 4 . 1 1 8 8 PRO C C 20 177.585 177.585 178.294 -0.709 18522 1753 1 4 . 1 1 8 8 PRO CA C 20 62.406 62.406 62.221 0.185 18522 1754 1 4 . 1 1 8 8 PRO CB C 20 32.891 32.891 32.628 0.263 18522 1755 1 4 . 1 1 9 9 GLY N N 21 108.426 108.426 108.393 0.033 18522 1756 1 4 . 1 1 9 9 GLY C C 21 171.443 171.443 173.783 -2.340 18522 1757 1 4 . 1 1 9 9 GLY CA C 21 44.581 44.581 45.343 -0.762 18522 1758 1 4 . 1 1 9 9 GLY H H 21 8.258 8.258 8.493 -0.235 18522 1759 1 4 . 1 1 10 10 LYS N N 22 117.372 117.372 118.148 -0.776 18522 1760 1 4 . 1 1 10 10 LYS HA H 22 4.039 4.039 3.848 0.191 18522 1761 1 4 . 1 1 10 10 LYS C C 22 174.463 174.463 174.898 -0.435 18522 1762 1 4 . 1 1 10 10 LYS CA C 22 55.263 55.263 57.603 -2.340 18522 1763 1 4 . 1 1 10 10 LYS CB C 22 35.227 35.227 31.943 3.284 18522 1764 1 4 . 1 1 10 10 LYS H H 22 8.175 8.175 8.073 0.102 18522 1765 1 4 . 1 1 11 11 VAL N N 23 120.387 120.387 116.640 3.747 18522 1766 1 4 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.495 0.213 18522 1767 1 4 . 1 1 11 11 VAL C C 23 171.873 171.873 174.137 -2.264 18522 1768 1 4 . 1 1 11 11 VAL CA C 23 59.866 59.866 60.296 -0.430 18522 1769 1 4 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.424 -0.155 18522 1770 1 4 . 1 1 11 11 VAL H H 23 8.862 8.862 8.109 0.753 18522 1771 1 4 . 1 1 12 12 THR N N 24 125.797 125.797 118.013 7.784 18522 1772 1 4 . 1 1 12 12 THR HA H 24 5.121 5.121 4.687 0.434 18522 1773 1 4 . 1 1 12 12 THR C C 24 173.407 173.407 173.464 -0.057 18522 1774 1 4 . 1 1 12 12 THR CA C 24 62.115 62.115 60.627 1.488 18522 1775 1 4 . 1 1 12 12 THR CB C 24 69.606 69.606 69.464 0.142 18522 1776 1 4 . 1 1 12 12 THR H H 24 8.859 8.859 8.226 0.633 18522 1777 1 4 . 1 1 13 13 LEU N N 25 127.960 127.960 126.921 1.039 18522 1778 1 4 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.828 -0.019 18522 1779 1 4 . 1 1 13 13 LEU C C 25 175.029 175.029 175.501 -0.472 18522 1780 1 4 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.364 0.259 18522 1781 1 4 . 1 1 13 13 LEU CB C 25 46.242 46.242 44.633 1.609 18522 1782 1 4 . 1 1 13 13 LEU H H 25 9.258 9.258 8.129 1.129 18522 1783 1 4 . 1 1 14 14 GLN N N 26 120.858 120.858 117.408 3.450 18522 1784 1 4 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.563 -0.081 18522 1785 1 4 . 1 1 14 14 GLN C C 26 174.515 174.515 175.437 -0.922 18522 1786 1 4 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.234 0.342 18522 1787 1 4 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.619 -2.103 18522 1788 1 4 . 1 1 14 14 GLN H H 26 8.530 8.530 8.330 0.200 18522 1789 1 4 . 1 1 15 15 LYS N N 27 119.583 119.583 122.125 -2.542 18522 1790 1 4 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.278 -0.098 18522 1791 1 4 . 1 1 15 15 LYS C C 27 177.468 177.468 176.796 0.672 18522 1792 1 4 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.520 -0.564 18522 1793 1 4 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.343 1.756 18522 1794 1 4 . 1 1 15 15 LYS H H 27 8.099 8.099 7.986 0.114 18522 1795 1 4 . 1 1 16 16 ASP N N 28 121.439 121.439 122.526 -1.087 18522 1796 1 4 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.639 -0.049 18522 1797 1 4 . 1 1 16 16 ASP C C 28 178.392 178.392 177.820 0.572 18522 1798 1 4 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.512 -1.086 18522 1799 1 4 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.730 -1.353 18522 1800 1 4 . 1 1 16 16 ASP H H 28 8.888 8.888 8.659 0.229 18522 1801 1 4 . 1 1 17 17 ALA N N 29 119.578 119.578 123.979 -4.401 18522 1802 1 4 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.101 0.087 18522 1803 1 4 . 1 1 17 17 ALA C C 29 178.763 178.763 178.280 0.483 18522 1804 1 4 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.631 -0.197 18522 1805 1 4 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.717 -0.424 18522 1806 1 4 . 1 1 17 17 ALA H H 29 8.392 8.392 8.709 -0.317 18522 1807 1 4 . 1 1 18 18 GLN N N 30 117.564 117.564 117.007 0.557 18522 1808 1 4 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.381 0.018 18522 1809 1 4 . 1 1 18 18 GLN C C 30 175.168 175.168 175.646 -0.478 18522 1810 1 4 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.000 0.339 18522 1811 1 4 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.057 -0.468 18522 1812 1 4 . 1 1 18 18 GLN H H 30 8.353 8.353 7.845 0.508 18522 1813 1 4 . 1 1 19 19 ASN N N 31 115.365 115.365 115.651 -0.286 18522 1814 1 4 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.393 -0.078 18522 1815 1 4 . 1 1 19 19 ASN C C 31 174.043 174.043 172.866 1.177 18522 1816 1 4 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.700 -0.397 18522 1817 1 4 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.967 -0.357 18522 1818 1 4 . 1 1 19 19 ASN H H 31 8.521 8.521 8.375 0.146 18522 1819 1 4 . 1 1 20 20 LEU N N 32 118.660 118.660 111.560 7.100 18522 1820 1 4 . 1 1 20 20 LEU HA H 32 4.900 4.900 5.196 -0.296 18522 1821 1 4 . 1 1 20 20 LEU C C 32 178.117 178.117 177.649 0.468 18522 1822 1 4 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.292 0.665 18522 1823 1 4 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.641 1.133 18522 1824 1 4 . 1 1 20 20 LEU H H 32 8.155 8.155 7.344 0.811 18522 1825 1 4 . 1 1 21 21 ILE N N 33 116.785 116.785 114.828 1.957 18522 1826 1 4 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.606 0.068 18522 1827 1 4 . 1 1 21 21 ILE C C 33 176.185 176.185 176.703 -0.518 18522 1828 1 4 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.282 1.320 18522 1829 1 4 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.129 -0.113 18522 1830 1 4 . 1 1 21 21 ILE H H 33 11.488 11.488 8.566 2.922 18522 1831 1 4 . 1 1 22 22 GLY N N 34 111.234 111.234 108.653 2.581 18522 1832 1 4 . 1 1 22 22 GLY C C 34 173.993 173.993 173.254 0.739 18522 1833 1 4 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.125 0.855 18522 1834 1 4 . 1 1 22 22 GLY H H 34 9.854 9.854 8.757 1.097 18522 1835 1 4 . 1 1 23 23 ILE N N 35 111.117 111.117 114.151 -3.034 18522 1836 1 4 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.230 0.305 18522 1837 1 4 . 1 1 23 23 ILE C C 35 175.033 175.033 174.121 0.912 18522 1838 1 4 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.753 0.662 18522 1839 1 4 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.526 0.051 18522 1840 1 4 . 1 1 23 23 ILE H H 35 7.835 7.835 7.432 0.403 18522 1841 1 4 . 1 1 24 24 SER N N 36 114.908 114.908 115.192 -0.284 18522 1842 1 4 . 1 1 24 24 SER HA H 36 4.232 4.232 5.214 -0.982 18522 1843 1 4 . 1 1 24 24 SER C C 36 174.735 174.735 173.029 1.706 18522 1844 1 4 . 1 1 24 24 SER CA C 36 56.121 56.121 57.511 -1.390 18522 1845 1 4 . 1 1 24 24 SER CB C 36 66.097 66.097 65.918 0.179 18522 1846 1 4 . 1 1 24 24 SER H H 36 8.623 8.623 8.659 -0.036 18522 1847 1 4 . 1 1 25 25 ILE N N 37 117.739 117.739 126.072 -8.333 18522 1848 1 4 . 1 1 25 25 ILE C C 37 174.340 174.340 175.446 -1.106 18522 1849 1 4 . 1 1 25 25 ILE CA C 37 59.123 59.123 59.938 -0.815 18522 1850 1 4 . 1 1 25 25 ILE CB C 37 41.637 41.637 39.728 1.909 18522 1851 1 4 . 1 1 25 25 ILE H H 37 9.130 9.130 8.998 0.132 18522 1852 1 4 . 1 1 26 26 GLY N N 38 108.069 108.069 114.812 -6.743 18522 1853 1 4 . 1 1 26 26 GLY CA C 38 44.112 44.112 44.153 -0.041 18522 1854 1 4 . 1 1 26 26 GLY H H 38 8.841 8.841 8.808 0.033 18522 1855 1 4 . 1 1 27 27 GLY N N 39 109.016 109.016 106.161 2.855 18522 1856 1 4 . 1 1 27 27 GLY C C 39 173.956 173.956 174.785 -0.829 18522 1857 1 4 . 1 1 27 27 GLY H H 39 8.187 8.187 8.246 -0.059 18522 1858 1 4 . 1 1 28 28 GLY N N 40 111.783 111.783 109.346 2.437 18522 1859 1 4 . 1 1 28 28 GLY C C 40 174.255 174.255 175.192 -0.937 18522 1860 1 4 . 1 1 28 28 GLY CA C 40 47.098 47.098 45.383 1.715 18522 1861 1 4 . 1 1 28 28 GLY H H 40 8.275 8.275 8.048 0.227 18522 1862 1 4 . 1 1 29 29 ALA N N 41 123.128 123.128 119.121 4.007 18522 1863 1 4 . 1 1 29 29 ALA HA H 41 4.559 4.559 3.856 0.703 18522 1864 1 4 . 1 1 29 29 ALA CA C 41 51.073 51.073 53.461 -2.388 18522 1865 1 4 . 1 1 29 29 ALA CB C 41 21.926 21.926 17.370 4.556 18522 1866 1 4 . 1 1 29 29 ALA H H 41 8.012 8.012 8.325 -0.313 18522 1867 1 4 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.299 0.250 18522 1868 1 4 . 1 1 31 31 TYR CA C 43 57.147 57.147 60.147 -3.000 18522 1869 1 4 . 1 1 31 31 TYR CB C 43 37.495 37.495 36.560 0.935 18522 1870 1 4 . 1 1 32 32 CYS N N 44 119.332 119.332 117.948 1.384 18522 1871 1 4 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.808 0.051 18522 1872 1 4 . 1 1 32 32 CYS CA C 44 57.406 57.406 56.078 1.328 18522 1873 1 4 . 1 1 32 32 CYS CB C 44 27.673 27.673 27.943 -0.270 18522 1874 1 4 . 1 1 32 32 CYS H H 44 7.504 7.504 7.870 -0.366 18522 1875 1 4 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.377 0.036 18522 1876 1 4 . 1 1 33 33 PRO CA C 45 64.885 64.885 63.221 1.664 18522 1877 1 4 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.528 -0.210 18522 1878 1 4 . 1 1 34 34 CYS N N 46 117.327 117.327 114.572 2.755 18522 1879 1 4 . 1 1 34 34 CYS C C 46 172.064 172.064 174.506 -2.442 18522 1880 1 4 . 1 1 34 34 CYS CA C 46 60.066 60.066 59.954 0.112 18522 1881 1 4 . 1 1 34 34 CYS CB C 46 28.715 28.715 26.592 2.123 18522 1882 1 4 . 1 1 34 34 CYS H H 46 7.973 7.973 8.501 -0.528 18522 1883 1 4 . 1 1 35 35 LEU N N 47 124.270 124.270 118.837 5.433 18522 1884 1 4 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.718 0.210 18522 1885 1 4 . 1 1 35 35 LEU C C 47 175.076 175.076 177.258 -2.182 18522 1886 1 4 . 1 1 35 35 LEU CA C 47 53.278 53.278 53.390 -0.112 18522 1887 1 4 . 1 1 35 35 LEU CB C 47 44.321 44.321 43.606 0.715 18522 1888 1 4 . 1 1 35 35 LEU H H 47 8.629 8.629 8.178 0.451 18522 1889 1 4 . 1 1 36 36 TYR N N 48 119.326 119.326 115.572 3.754 18522 1890 1 4 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.103 1.152 18522 1891 1 4 . 1 1 36 36 TYR C C 48 175.766 175.766 175.922 -0.156 18522 1892 1 4 . 1 1 36 36 TYR CA C 48 56.696 56.696 61.734 -5.038 18522 1893 1 4 . 1 1 36 36 TYR CB C 48 42.590 42.590 37.201 5.389 18522 1894 1 4 . 1 1 36 36 TYR H H 48 8.761 8.761 8.071 0.690 18522 1895 1 4 . 1 1 37 37 ILE N N 49 120.259 120.259 121.571 -1.312 18522 1896 1 4 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.387 -0.172 18522 1897 1 4 . 1 1 37 37 ILE C C 49 177.429 177.429 176.469 0.960 18522 1898 1 4 . 1 1 37 37 ILE CA C 49 62.456 62.456 61.024 1.432 18522 1899 1 4 . 1 1 37 37 ILE CB C 49 37.352 37.352 37.460 -0.108 18522 1900 1 4 . 1 1 37 37 ILE H H 49 8.959 8.959 7.778 1.181 18522 1901 1 4 . 1 1 38 38 VAL HA H 50 3.937 3.937 4.169 -0.232 18522 1902 1 4 . 1 1 38 38 VAL C C 50 174.408 174.408 175.590 -1.182 18522 1903 1 4 . 1 1 38 38 VAL CA C 50 62.259 62.259 62.552 -0.293 18522 1904 1 4 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.955 -1.371 18522 1905 1 4 . 1 1 39 39 GLN N N 51 116.821 116.821 117.913 -1.092 18522 1906 1 4 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.493 -0.390 18522 1907 1 4 . 1 1 39 39 GLN C C 51 172.856 172.856 173.233 -0.377 18522 1908 1 4 . 1 1 39 39 GLN CA C 51 55.127 55.127 54.989 0.138 18522 1909 1 4 . 1 1 39 39 GLN CB C 51 32.376 32.376 33.054 -0.678 18522 1910 1 4 . 1 1 39 39 GLN H H 51 6.967 6.967 7.520 -0.553 18522 1911 1 4 . 1 1 40 40 VAL N N 52 123.482 123.482 119.863 3.619 18522 1912 1 4 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.706 -0.429 18522 1913 1 4 . 1 1 40 40 VAL C C 52 176.198 176.198 174.163 2.035 18522 1914 1 4 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.468 2.106 18522 1915 1 4 . 1 1 40 40 VAL CB C 52 32.875 32.875 35.792 -2.917 18522 1916 1 4 . 1 1 40 40 VAL H H 52 8.447 8.447 8.198 0.249 18522 1917 1 4 . 1 1 41 41 PHE N N 53 128.296 128.296 122.785 5.511 18522 1918 1 4 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.855 -0.455 18522 1919 1 4 . 1 1 41 41 PHE C C 53 175.299 175.299 176.159 -0.860 18522 1920 1 4 . 1 1 41 41 PHE CA C 53 58.494 58.494 56.197 2.297 18522 1921 1 4 . 1 1 41 41 PHE CB C 53 39.561 39.561 40.489 -0.928 18522 1922 1 4 . 1 1 41 41 PHE H H 53 8.707 8.707 8.303 0.404 18522 1923 1 4 . 1 1 42 42 ASP N N 54 122.696 122.696 123.227 -0.531 18522 1924 1 4 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.337 -0.065 18522 1925 1 4 . 1 1 42 42 ASP C C 54 176.837 176.837 176.414 0.423 18522 1926 1 4 . 1 1 42 42 ASP CA C 54 55.291 55.291 56.838 -1.547 18522 1927 1 4 . 1 1 42 42 ASP CB C 54 41.093 41.093 41.027 0.066 18522 1928 1 4 . 1 1 42 42 ASP H H 54 8.901 8.901 9.051 -0.150 18522 1929 1 4 . 1 1 43 43 ASN N N 55 113.923 113.923 112.815 1.108 18522 1930 1 4 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.778 -0.520 18522 1931 1 4 . 1 1 43 43 ASN C C 55 173.714 173.714 175.441 -1.727 18522 1932 1 4 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.039 1.919 18522 1933 1 4 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.460 -2.310 18522 1934 1 4 . 1 1 43 43 ASN H H 55 9.319 9.319 8.117 1.202 18522 1935 1 4 . 1 1 44 44 THR N N 56 108.020 108.020 112.967 -4.947 18522 1936 1 4 . 1 1 44 44 THR HA H 56 5.377 5.377 4.978 0.399 18522 1937 1 4 . 1 1 44 44 THR CA C 56 59.712 59.712 59.314 0.398 18522 1938 1 4 . 1 1 44 44 THR CB C 56 69.529 69.529 70.570 -1.041 18522 1939 1 4 . 1 1 44 44 THR H H 56 7.149 7.149 7.953 -0.804 18522 1940 1 4 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.088 0.216 18522 1941 1 4 . 1 1 45 45 PRO C C 57 180.141 180.141 178.081 2.060 18522 1942 1 4 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.649 0.441 18522 1943 1 4 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.432 1.762 18522 1944 1 4 . 1 1 46 46 ALA N N 58 116.854 116.854 120.016 -3.162 18522 1945 1 4 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.013 0.022 18522 1946 1 4 . 1 1 46 46 ALA C C 58 180.647 180.647 179.524 1.123 18522 1947 1 4 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.227 -0.032 18522 1948 1 4 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.134 0.746 18522 1949 1 4 . 1 1 46 46 ALA H H 58 8.938 8.938 7.843 1.095 18522 1950 1 4 . 1 1 47 47 ALA N N 59 123.250 123.250 121.069 2.181 18522 1951 1 4 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.175 -0.145 18522 1952 1 4 . 1 1 47 47 ALA C C 59 179.852 179.852 179.933 -0.081 18522 1953 1 4 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.466 0.473 18522 1954 1 4 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.461 1.227 18522 1955 1 4 . 1 1 47 47 ALA H H 59 7.658 7.658 7.430 0.228 18522 1956 1 4 . 1 1 48 48 LEU N N 60 118.654 118.654 120.507 -1.853 18522 1957 1 4 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.099 -0.073 18522 1958 1 4 . 1 1 48 48 LEU C C 60 179.238 179.238 178.423 0.815 18522 1959 1 4 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.202 -0.941 18522 1960 1 4 . 1 1 48 48 LEU CB C 60 41.445 41.445 40.679 0.766 18522 1961 1 4 . 1 1 48 48 LEU H H 60 8.636 8.636 8.523 0.113 18522 1962 1 4 . 1 1 49 49 ASP N N 61 117.382 117.382 116.968 0.414 18522 1963 1 4 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.604 -0.183 18522 1964 1 4 . 1 1 49 49 ASP C C 61 177.668 177.668 178.614 -0.946 18522 1965 1 4 . 1 1 49 49 ASP CA C 61 57.087 57.087 55.700 1.387 18522 1966 1 4 . 1 1 49 49 ASP CB C 61 44.478 44.478 42.243 2.235 18522 1967 1 4 . 1 1 49 49 ASP H H 61 7.665 7.665 8.017 -0.352 18522 1968 1 4 . 1 1 50 50 GLY N N 62 103.228 103.228 108.075 -4.847 18522 1969 1 4 . 1 1 50 50 GLY C C 62 174.776 174.776 174.564 0.212 18522 1970 1 4 . 1 1 50 50 GLY CA C 62 46.533 46.533 46.384 0.149 18522 1971 1 4 . 1 1 50 50 GLY H H 62 7.216 7.216 8.324 -1.108 18522 1972 1 4 . 1 1 51 51 THR N N 63 117.230 117.230 112.833 4.397 18522 1973 1 4 . 1 1 51 51 THR HA H 63 3.907 3.907 3.932 -0.025 18522 1974 1 4 . 1 1 51 51 THR C C 63 175.961 175.961 173.205 2.756 18522 1975 1 4 . 1 1 51 51 THR CA C 63 66.478 66.478 62.492 3.986 18522 1976 1 4 . 1 1 51 51 THR CB C 63 68.268 68.268 66.868 1.400 18522 1977 1 4 . 1 1 51 51 THR H H 63 8.319 8.319 7.762 0.557 18522 1978 1 4 . 1 1 52 52 VAL N N 64 113.826 113.826 114.361 -0.535 18522 1979 1 4 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.549 -0.599 18522 1980 1 4 . 1 1 52 52 VAL C C 64 173.883 173.883 174.668 -0.785 18522 1981 1 4 . 1 1 52 52 VAL CA C 64 60.708 60.708 59.328 1.380 18522 1982 1 4 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.995 2.084 18522 1983 1 4 . 1 1 52 52 VAL H H 64 8.147 8.147 7.386 0.761 18522 1984 1 4 . 1 1 53 53 ALA N N 65 123.521 123.521 123.439 0.082 18522 1985 1 4 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.337 0.077 18522 1986 1 4 . 1 1 53 53 ALA C C 65 175.247 175.247 176.459 -1.212 18522 1987 1 4 . 1 1 53 53 ALA CA C 65 50.440 50.440 51.113 -0.673 18522 1988 1 4 . 1 1 53 53 ALA CB C 65 23.266 23.266 19.968 3.298 18522 1989 1 4 . 1 1 53 53 ALA H H 65 8.633 8.633 7.682 0.951 18522 1990 1 4 . 1 1 54 54 ALA N N 66 120.818 120.818 121.675 -0.857 18522 1991 1 4 . 1 1 54 54 ALA HA H 66 3.720 3.720 3.939 -0.219 18522 1992 1 4 . 1 1 54 54 ALA C C 66 178.411 178.411 178.171 0.240 18522 1993 1 4 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.806 -0.790 18522 1994 1 4 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.872 -0.032 18522 1995 1 4 . 1 1 54 54 ALA H H 66 8.451 8.451 8.217 0.234 18522 1996 1 4 . 1 1 55 55 GLY N N 67 112.260 112.260 111.836 0.424 18522 1997 1 4 . 1 1 55 55 GLY C C 67 173.296 173.296 173.051 0.245 18522 1998 1 4 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.687 0.339 18522 1999 1 4 . 1 1 55 55 GLY H H 67 9.600 9.600 8.453 1.147 18522 2000 1 4 . 1 1 56 56 ASP N N 68 121.293 121.293 120.118 1.175 18522 2001 1 4 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.845 0.016 18522 2002 1 4 . 1 1 56 56 ASP C C 68 174.937 174.937 174.478 0.459 18522 2003 1 4 . 1 1 56 56 ASP CA C 68 55.641 55.641 52.867 2.774 18522 2004 1 4 . 1 1 56 56 ASP CB C 68 40.696 40.696 43.762 -3.066 18522 2005 1 4 . 1 1 56 56 ASP H H 68 8.043 8.043 7.675 0.368 18522 2006 1 4 . 1 1 57 57 GLU N N 69 122.814 122.814 120.875 1.939 18522 2007 1 4 . 1 1 57 57 GLU C C 69 177.202 177.202 176.074 1.128 18522 2008 1 4 . 1 1 57 57 GLU CA C 69 54.472 54.472 54.926 -0.454 18522 2009 1 4 . 1 1 57 57 GLU CB C 69 32.800 32.800 30.902 1.898 18522 2010 1 4 . 1 1 57 57 GLU H H 69 8.455 8.455 8.072 0.383 18522 2011 1 4 . 1 1 58 58 ILE N N 70 125.862 125.862 124.988 0.874 18522 2012 1 4 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.449 0.077 18522 2013 1 4 . 1 1 58 58 ILE C C 70 175.035 175.035 175.252 -0.217 18522 2014 1 4 . 1 1 58 58 ILE CA C 70 60.918 60.918 59.060 1.858 18522 2015 1 4 . 1 1 58 58 ILE CB C 70 39.236 39.236 38.950 0.286 18522 2016 1 4 . 1 1 58 58 ILE H H 70 8.619 8.619 8.143 0.476 18522 2017 1 4 . 1 1 59 59 THR N N 71 115.507 115.507 119.816 -4.309 18522 2018 1 4 . 1 1 59 59 THR HA H 71 4.513 4.513 4.049 0.464 18522 2019 1 4 . 1 1 59 59 THR C C 71 176.425 176.425 173.197 3.228 18522 2020 1 4 . 1 1 59 59 THR CA C 71 61.158 61.158 61.466 -0.308 18522 2021 1 4 . 1 1 59 59 THR CB C 71 69.604 69.604 70.066 -0.462 18522 2022 1 4 . 1 1 59 59 THR H H 71 9.242 9.242 8.868 0.374 18522 2023 1 4 . 1 1 60 60 GLY N N 72 111.789 111.789 109.353 2.436 18522 2024 1 4 . 1 1 60 60 GLY C C 72 170.981 170.981 171.517 -0.536 18522 2025 1 4 . 1 1 60 60 GLY CA C 72 46.554 46.554 44.416 2.138 18522 2026 1 4 . 1 1 60 60 GLY H H 72 7.883 7.883 7.990 -0.107 18522 2027 1 4 . 1 1 61 61 VAL N N 73 119.277 119.277 122.753 -3.476 18522 2028 1 4 . 1 1 61 61 VAL C C 73 175.951 175.951 175.750 0.201 18522 2029 1 4 . 1 1 61 61 VAL CA C 73 60.982 60.982 60.346 0.636 18522 2030 1 4 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.033 2.164 18522 2031 1 4 . 1 1 61 61 VAL H H 73 8.424 8.424 8.865 -0.441 18522 2032 1 4 . 1 1 62 62 ASN N N 74 127.731 127.731 128.009 -0.278 18522 2033 1 4 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.412 0.108 18522 2034 1 4 . 1 1 62 62 ASN C C 74 174.878 174.878 174.877 0.001 18522 2035 1 4 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.294 0.124 18522 2036 1 4 . 1 1 62 62 ASN CB C 74 36.655 36.655 37.661 -1.006 18522 2037 1 4 . 1 1 62 62 ASN H H 74 10.384 10.384 9.267 1.117 18522 2038 1 4 . 1 1 63 63 GLY N N 75 104.633 104.633 103.597 1.036 18522 2039 1 4 . 1 1 63 63 GLY C C 75 173.610 173.610 172.946 0.664 18522 2040 1 4 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.771 0.490 18522 2041 1 4 . 1 1 63 63 GLY H H 75 8.926 8.926 8.291 0.635 18522 2042 1 4 . 1 1 64 64 ARG N N 76 120.451 120.451 120.303 0.148 18522 2043 1 4 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.648 -0.147 18522 2044 1 4 . 1 1 64 64 ARG C C 76 175.085 175.085 175.619 -0.534 18522 2045 1 4 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.062 0.190 18522 2046 1 4 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.864 -0.382 18522 2047 1 4 . 1 1 64 64 ARG H H 76 7.753 7.753 7.810 -0.057 18522 2048 1 4 . 1 1 65 65 SER N N 77 116.586 116.586 117.699 -1.113 18522 2049 1 4 . 1 1 65 65 SER HA H 77 4.483 4.483 4.572 -0.090 18522 2050 1 4 . 1 1 65 65 SER C C 77 176.953 176.953 176.569 0.384 18522 2051 1 4 . 1 1 65 65 SER CA C 77 58.292 58.292 58.651 -0.359 18522 2052 1 4 . 1 1 65 65 SER CB C 77 63.643 63.643 63.750 -0.107 18522 2053 1 4 . 1 1 65 65 SER H H 77 8.555 8.555 8.758 -0.203 18522 2054 1 4 . 1 1 66 66 ILE N N 78 116.618 116.618 124.626 -8.008 18522 2055 1 4 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.248 0.172 18522 2056 1 4 . 1 1 66 66 ILE C C 78 175.072 175.072 176.828 -1.756 18522 2057 1 4 . 1 1 66 66 ILE CA C 78 59.122 59.122 62.073 -2.951 18522 2058 1 4 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.199 -0.441 18522 2059 1 4 . 1 1 66 66 ILE H H 78 7.599 7.599 8.762 -1.163 18522 2060 1 4 . 1 1 67 67 LYS N N 79 123.287 123.287 122.234 1.053 18522 2061 1 4 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.160 -0.111 18522 2062 1 4 . 1 1 67 67 LYS C C 79 178.333 178.333 177.957 0.376 18522 2063 1 4 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.225 0.096 18522 2064 1 4 . 1 1 67 67 LYS CB C 79 31.635 31.635 32.035 -0.400 18522 2065 1 4 . 1 1 67 67 LYS H H 79 7.898 7.898 7.619 0.279 18522 2066 1 4 . 1 1 68 68 GLY N N 80 114.933 114.933 107.389 7.544 18522 2067 1 4 . 1 1 68 68 GLY C C 80 174.385 174.385 174.620 -0.235 18522 2068 1 4 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.681 -0.163 18522 2069 1 4 . 1 1 68 68 GLY H H 80 8.999 8.999 8.002 0.997 18522 2070 1 4 . 1 1 69 69 LYS N N 81 119.403 119.403 118.900 0.503 18522 2071 1 4 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.617 -0.574 18522 2072 1 4 . 1 1 69 69 LYS C C 81 177.064 177.064 175.113 1.951 18522 2073 1 4 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.138 -0.416 18522 2074 1 4 . 1 1 69 69 LYS CB C 81 33.560 33.560 32.883 0.677 18522 2075 1 4 . 1 1 69 69 LYS H H 81 7.845 7.845 7.930 -0.085 18522 2076 1 4 . 1 1 70 70 THR N N 82 112.066 112.066 115.340 -3.274 18522 2077 1 4 . 1 1 70 70 THR HA H 82 4.666 4.666 4.612 0.054 18522 2078 1 4 . 1 1 70 70 THR C C 82 175.955 175.955 175.287 0.668 18522 2079 1 4 . 1 1 70 70 THR CA C 82 60.438 60.438 60.940 -0.502 18522 2080 1 4 . 1 1 70 70 THR CB C 82 71.629 71.629 72.614 -0.985 18522 2081 1 4 . 1 1 70 70 THR H H 82 9.153 9.153 8.018 1.135 18522 2082 1 4 . 1 1 71 71 LYS N N 83 118.730 118.730 124.580 -5.850 18522 2083 1 4 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.977 -0.107 18522 2084 1 4 . 1 1 71 71 LYS C C 83 177.464 177.464 178.311 -0.847 18522 2085 1 4 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.936 0.421 18522 2086 1 4 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.478 -0.128 18522 2087 1 4 . 1 1 71 71 LYS H H 83 8.969 8.969 8.812 0.157 18522 2088 1 4 . 1 1 72 72 VAL N N 84 117.444 117.444 118.766 -1.322 18522 2089 1 4 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.693 -0.061 18522 2090 1 4 . 1 1 72 72 VAL C C 84 178.315 178.315 177.932 0.383 18522 2091 1 4 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.672 0.407 18522 2092 1 4 . 1 1 72 72 VAL CB C 84 32.091 32.091 30.754 1.337 18522 2093 1 4 . 1 1 72 72 VAL H H 84 7.631 7.631 7.870 -0.239 18522 2094 1 4 . 1 1 73 73 GLU N N 85 120.890 120.890 119.472 1.418 18522 2095 1 4 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.061 -0.097 18522 2096 1 4 . 1 1 73 73 GLU C C 85 179.971 179.971 179.114 0.857 18522 2097 1 4 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.332 -0.016 18522 2098 1 4 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.127 1.228 18522 2099 1 4 . 1 1 73 73 GLU H H 85 7.617 7.617 8.363 -0.746 18522 2100 1 4 . 1 1 74 74 VAL N N 86 121.246 121.246 117.642 3.604 18522 2101 1 4 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.776 -0.146 18522 2102 1 4 . 1 1 74 74 VAL C C 86 177.217 177.217 177.388 -0.171 18522 2103 1 4 . 1 1 74 74 VAL CA C 86 66.678 66.678 65.896 0.782 18522 2104 1 4 . 1 1 74 74 VAL CB C 86 31.307 31.307 30.684 0.623 18522 2105 1 4 . 1 1 74 74 VAL H H 86 8.368 8.368 8.307 0.061 18522 2106 1 4 . 1 1 75 75 ALA N N 87 122.148 122.148 123.183 -1.035 18522 2107 1 4 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.891 0.056 18522 2108 1 4 . 1 1 75 75 ALA C C 87 179.545 179.545 178.984 0.561 18522 2109 1 4 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.626 0.225 18522 2110 1 4 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.974 0.517 18522 2111 1 4 . 1 1 75 75 ALA H H 87 8.577 8.577 7.627 0.950 18522 2112 1 4 . 1 1 76 76 LYS N N 88 117.733 117.733 119.083 -1.350 18522 2113 1 4 . 1 1 76 76 LYS HA H 88 4.051 4.051 3.936 0.115 18522 2114 1 4 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.480 -0.087 18522 2115 1 4 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.304 -0.246 18522 2116 1 4 . 1 1 76 76 LYS H H 88 7.854 7.854 7.605 0.249 18522 2117 1 4 . 1 1 77 77 MET N N 89 117.676 117.676 118.094 -0.418 18522 2118 1 4 . 1 1 77 77 MET HA H 89 4.048 4.048 4.047 0.001 18522 2119 1 4 . 1 1 77 77 MET C C 89 178.791 178.791 178.878 -0.087 18522 2120 1 4 . 1 1 77 77 MET CA C 89 59.128 59.128 59.373 -0.246 18522 2121 1 4 . 1 1 77 77 MET CB C 89 33.801 33.801 32.581 1.220 18522 2122 1 4 . 1 1 77 77 MET H H 89 7.759 7.759 8.018 -0.259 18522 2123 1 4 . 1 1 78 78 ILE N N 90 117.305 117.305 119.335 -2.030 18522 2124 1 4 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.645 -0.055 18522 2125 1 4 . 1 1 78 78 ILE C C 90 178.658 178.658 178.091 0.567 18522 2126 1 4 . 1 1 78 78 ILE CA C 90 65.482 65.482 64.988 0.494 18522 2127 1 4 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.753 1.092 18522 2128 1 4 . 1 1 78 78 ILE H H 90 7.972 7.972 7.922 0.050 18522 2129 1 4 . 1 1 79 79 GLN N N 91 120.935 120.935 117.978 2.957 18522 2130 1 4 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.204 -0.206 18522 2131 1 4 . 1 1 79 79 GLN C C 91 178.274 178.274 178.309 -0.035 18522 2132 1 4 . 1 1 79 79 GLN CA C 91 59.151 59.151 57.169 1.982 18522 2133 1 4 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.396 0.538 18522 2134 1 4 . 1 1 79 79 GLN H H 91 8.826 8.826 8.104 0.722 18522 2135 1 4 . 1 1 80 80 GLU N N 92 115.213 115.213 119.913 -4.700 18522 2136 1 4 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.154 -0.093 18522 2137 1 4 . 1 1 80 80 GLU C C 92 176.824 176.824 177.351 -0.527 18522 2138 1 4 . 1 1 80 80 GLU CA C 92 58.006 58.006 57.757 0.249 18522 2139 1 4 . 1 1 80 80 GLU CB C 92 29.890 29.890 30.085 -0.195 18522 2140 1 4 . 1 1 80 80 GLU H H 92 8.020 8.020 8.260 -0.240 18522 2141 1 4 . 1 1 81 81 VAL N N 93 119.047 119.047 118.042 1.005 18522 2142 1 4 . 1 1 81 81 VAL HA H 93 3.930 3.930 4.111 -0.181 18522 2143 1 4 . 1 1 81 81 VAL C C 93 176.016 176.016 174.693 1.323 18522 2144 1 4 . 1 1 81 81 VAL CA C 93 63.153 63.153 62.210 0.943 18522 2145 1 4 . 1 1 81 81 VAL CB C 93 32.154 32.154 32.565 -0.411 18522 2146 1 4 . 1 1 81 81 VAL H H 93 7.073 7.073 7.515 -0.442 18522 2147 1 4 . 1 1 82 82 LYS N N 94 128.366 128.366 124.604 3.762 18522 2148 1 4 . 1 1 82 82 LYS C C 94 177.460 177.460 176.796 0.664 18522 2149 1 4 . 1 1 82 82 LYS CA C 94 55.753 55.753 55.209 0.544 18522 2150 1 4 . 1 1 82 82 LYS CB C 94 32.332 32.332 35.276 -2.944 18522 2151 1 4 . 1 1 82 82 LYS H H 94 8.762 8.762 7.973 0.789 18522 2152 1 4 . 1 1 83 83 GLY N N 95 112.528 112.528 112.765 -0.237 18522 2153 1 4 . 1 1 83 83 GLY C C 95 173.468 173.468 172.735 0.733 18522 2154 1 4 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.581 0.662 18522 2155 1 4 . 1 1 83 83 GLY H H 95 8.673 8.673 9.148 -0.475 18522 2156 1 4 . 1 1 84 84 GLU N N 96 121.485 121.485 118.590 2.895 18522 2157 1 4 . 1 1 84 84 GLU HA H 96 4.749 4.749 4.936 -0.187 18522 2158 1 4 . 1 1 84 84 GLU C C 96 174.583 174.583 173.799 0.784 18522 2159 1 4 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.498 1.323 18522 2160 1 4 . 1 1 84 84 GLU CB C 96 31.410 31.410 34.087 -2.677 18522 2161 1 4 . 1 1 84 84 GLU H H 96 8.297 8.297 7.608 0.689 18522 2162 1 4 . 1 1 85 85 VAL N N 97 120.501 120.501 112.292 8.209 18522 2163 1 4 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.675 -0.010 18522 2164 1 4 . 1 1 85 85 VAL C C 97 173.047 173.047 173.579 -0.532 18522 2165 1 4 . 1 1 85 85 VAL CA C 97 60.114 60.114 59.972 0.141 18522 2166 1 4 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.518 -0.334 18522 2167 1 4 . 1 1 85 85 VAL H H 97 9.096 9.096 8.723 0.373 18522 2168 1 4 . 1 1 86 86 THR N N 98 125.019 125.019 118.854 6.165 18522 2169 1 4 . 1 1 86 86 THR HA H 98 4.076 4.076 4.993 -0.917 18522 2170 1 4 . 1 1 86 86 THR C C 98 173.807 173.807 173.283 0.524 18522 2171 1 4 . 1 1 86 86 THR CA C 98 61.735 61.735 61.968 -0.233 18522 2172 1 4 . 1 1 86 86 THR CB C 98 69.531 69.531 70.882 -1.351 18522 2173 1 4 . 1 1 86 86 THR H H 98 9.352 9.352 8.321 1.031 18522 2174 1 4 . 1 1 87 87 ILE N N 99 128.383 128.383 122.410 5.973 18522 2175 1 4 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.813 -0.152 18522 2176 1 4 . 1 1 87 87 ILE C C 99 174.614 174.614 174.707 -0.093 18522 2177 1 4 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.136 -0.878 18522 2178 1 4 . 1 1 87 87 ILE CB C 99 38.528 38.528 39.391 -0.863 18522 2179 1 4 . 1 1 87 87 ILE H H 99 9.329 9.329 8.898 0.431 18522 2180 1 4 . 1 1 88 88 HIS N N 100 128.279 128.279 125.905 2.374 18522 2181 1 4 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.646 -0.698 18522 2182 1 4 . 1 1 88 88 HIS C C 100 174.787 174.787 174.216 0.571 18522 2183 1 4 . 1 1 88 88 HIS CA C 100 54.620 54.620 54.331 0.289 18522 2184 1 4 . 1 1 88 88 HIS H H 100 8.647 8.647 8.258 0.389 18522 2185 1 4 . 1 1 89 89 TYR N N 101 121.320 121.320 123.540 -2.220 18522 2186 1 4 . 1 1 89 89 TYR HA H 101 5.947 5.947 4.452 1.495 18522 2187 1 4 . 1 1 89 89 TYR C C 101 173.769 173.769 172.713 1.056 18522 2188 1 4 . 1 1 89 89 TYR CA C 101 55.669 55.669 58.238 -2.569 18522 2189 1 4 . 1 1 89 89 TYR CB C 101 42.195 42.195 40.176 2.019 18522 2190 1 4 . 1 1 89 89 TYR H H 101 8.414 8.414 8.497 -0.083 18522 2191 1 4 . 1 1 90 90 ASN N N 102 116.679 116.679 114.970 1.709 18522 2192 1 4 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.112 0.223 18522 2193 1 4 . 1 1 90 90 ASN C C 102 175.406 175.406 172.623 2.783 18522 2194 1 4 . 1 1 90 90 ASN CA C 102 51.961 51.961 53.074 -1.113 18522 2195 1 4 . 1 1 90 90 ASN CB C 102 41.800 41.800 42.068 -0.268 18522 2196 1 4 . 1 1 90 90 ASN H H 102 9.282 9.282 7.666 1.616 18522 2197 1 4 . 1 1 91 91 LYS N N 103 124.129 124.129 117.283 6.846 18522 2198 1 4 . 1 1 91 91 LYS C C 103 176.678 176.678 175.828 0.850 18522 2199 1 4 . 1 1 91 91 LYS CA C 103 55.006 55.006 54.417 0.589 18522 2200 1 4 . 1 1 91 91 LYS H H 103 8.949 8.949 8.113 0.836 18522 2201 1 4 . 1 1 92 92 LEU N N 104 127.043 127.043 117.070 9.973 18522 2202 1 4 . 1 1 92 92 LEU HA H 104 4.425 4.425 3.835 0.590 18522 2203 1 4 . 1 1 92 92 LEU CA C 104 55.060 55.060 56.067 -1.007 18522 2204 1 4 . 1 1 92 92 LEU CB C 104 42.559 42.559 40.978 1.581 18522 2205 1 4 . 1 1 92 92 LEU H H 104 9.150 9.150 8.293 0.857 18522 2206 1 4 . 1 1 93 93 GLN HA H 105 4.315 4.315 3.981 0.334 18522 2207 1 4 . 1 1 93 93 GLN C C 105 175.070 175.070 173.958 1.112 18522 2208 1 4 . 1 1 93 93 GLN CA C 105 55.490 55.490 55.705 -0.215 18522 2209 1 4 . 1 1 93 93 GLN CB C 105 28.909 28.909 28.259 0.650 18522 2210 1 4 . 1 1 94 94 ALA N N 106 125.133 125.133 125.327 -0.194 18522 2211 1 4 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.712 -0.346 18522 2212 1 4 . 1 1 94 94 ALA C C 106 176.392 176.392 175.529 0.863 18522 2213 1 4 . 1 1 94 94 ALA CA C 106 51.723 51.723 51.655 0.068 18522 2214 1 4 . 1 1 94 94 ALA CB C 106 20.185 20.185 20.706 -0.520 18522 2215 1 4 . 1 1 94 94 ALA H H 106 8.226 8.226 8.001 0.225 18522 2216 1 4 . 1 1 95 95 ASP N N 107 122.013 122.013 119.490 2.523 18522 2217 1 4 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.973 -0.560 18522 2218 1 4 . 1 1 95 95 ASP C C 107 175.019 175.019 174.685 0.334 18522 2219 1 4 . 1 1 95 95 ASP CA C 107 55.642 55.642 52.651 2.991 18522 2220 1 4 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.543 -1.277 18522 2221 1 4 . 1 1 95 95 ASP H H 107 8.429 8.429 8.186 0.243 18522 2222 1 4 . 1 1 96 96 PRO HA H 108 4.207 4.207 4.066 0.141 18522 2223 1 4 . 1 1 96 96 PRO C C 108 178.840 178.840 178.325 0.515 18522 2224 1 4 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.220 -0.824 18522 2225 1 4 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.666 0.515 18522 2226 1 4 . 1 1 97 97 LYS N N 109 117.942 117.942 114.909 3.033 18522 2227 1 4 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.050 0.093 18522 2228 1 4 . 1 1 97 97 LYS C C 109 178.099 178.099 178.918 -0.819 18522 2229 1 4 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.086 -0.919 18522 2230 1 4 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.423 0.226 18522 2231 1 4 . 1 1 97 97 LYS H H 109 8.335 8.335 8.343 -0.008 18522 2232 1 4 . 1 1 98 98 GLN N N 110 119.159 119.159 117.793 1.366 18522 2233 1 4 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.425 -0.295 18522 2234 1 4 . 1 1 98 98 GLN C C 110 178.298 178.298 177.843 0.455 18522 2235 1 4 . 1 1 98 98 GLN CA C 110 57.660 57.660 56.671 0.989 18522 2236 1 4 . 1 1 98 98 GLN CB C 110 28.720 28.720 29.138 -0.418 18522 2237 1 4 . 1 1 98 98 GLN H H 110 7.985 7.985 8.014 -0.029 18522 2238 1 4 . 1 1 99 99 LEU N N 111 120.490 120.490 122.459 -1.969 18522 2239 1 4 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.196 -0.319 18522 2240 1 4 . 1 1 99 99 LEU C C 111 177.729 177.729 178.402 -0.673 18522 2241 1 4 . 1 1 99 99 LEU CA C 111 57.049 57.049 57.880 -0.831 18522 2242 1 4 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.801 -0.335 18522 2243 1 4 . 1 1 99 99 LEU H H 111 7.994 7.994 8.484 -0.490 18522 2244 1 4 . 1 1 100 100 GLU N N 112 118.251 118.251 118.858 -0.607 18522 2245 1 4 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.168 -0.196 18522 2246 1 4 . 1 1 100 100 GLU C C 112 178.402 178.402 179.007 -0.605 18522 2247 1 4 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.300 -0.244 18522 2248 1 4 . 1 1 100 100 GLU CB C 112 29.732 29.732 28.954 0.778 18522 2249 1 4 . 1 1 100 100 GLU H H 112 7.760 7.760 8.188 -0.428 18522 2250 1 4 . 1 1 101 101 VAL N N 113 117.229 117.229 120.672 -3.443 18522 2251 1 4 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.629 0.133 18522 2252 1 4 . 1 1 101 101 VAL C C 113 178.107 178.107 177.559 0.548 18522 2253 1 4 . 1 1 101 101 VAL CA C 113 64.791 64.791 66.354 -1.563 18522 2254 1 4 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.665 0.484 18522 2255 1 4 . 1 1 101 101 VAL H H 113 7.437 7.437 7.388 0.049 18522 2256 1 4 . 1 1 102 102 LEU N N 114 122.124 122.124 117.646 4.478 18522 2257 1 4 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.114 -0.081 18522 2258 1 4 . 1 1 102 102 LEU C C 114 178.506 178.506 178.209 0.297 18522 2259 1 4 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.329 0.914 18522 2260 1 4 . 1 1 102 102 LEU CB C 114 42.028 42.028 40.847 1.181 18522 2261 1 4 . 1 1 102 102 LEU H H 114 7.765 7.765 7.873 -0.108 18522 2262 1 4 . 1 1 103 103 PHE N N 115 115.346 115.346 118.220 -2.874 18522 2263 1 4 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.304 -0.080 18522 2264 1 4 . 1 1 103 103 PHE C C 115 175.621 175.621 176.479 -0.858 18522 2265 1 4 . 1 1 103 103 PHE CA C 115 57.537 57.537 60.516 -2.979 18522 2266 1 4 . 1 1 103 103 PHE CB C 115 38.057 38.057 40.375 -2.318 18522 2267 1 4 . 1 1 103 103 PHE H H 115 7.805 7.805 8.009 -0.204 18522 2268 1 4 . 1 1 104 104 GLN N N 116 119.021 119.021 115.883 3.138 18522 2269 1 4 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.374 0.033 18522 2270 1 4 . 1 1 104 104 GLN C C 116 176.402 176.402 175.601 0.801 18522 2271 1 4 . 1 1 104 104 GLN CA C 116 55.521 55.521 56.515 -0.994 18522 2272 1 4 . 1 1 104 104 GLN CB C 116 29.170 29.170 31.725 -2.555 18522 2273 1 4 . 1 1 104 104 GLN H H 116 7.974 7.974 8.159 -0.185 18522 2274 1 4 . 1 1 105 105 GLY N N 117 108.868 108.868 105.446 3.422 18522 2275 1 4 . 1 1 105 105 GLY CA C 117 45.124 45.124 46.197 -1.073 18522 2276 1 4 . 1 1 105 105 GLY H H 117 8.195 8.195 7.625 0.570 18522 2277 1 4 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.292 0.198 18522 2278 1 4 . 1 1 106 106 PRO C C 118 176.001 176.001 175.376 0.625 18522 2279 1 4 . 1 1 106 106 PRO CA C 118 63.523 63.523 64.704 -1.181 18522 2280 1 4 . 1 1 106 106 PRO CB C 118 32.078 32.078 30.496 1.582 18522 2281 1 4 . 1 1 107 107 GLN N N 119 126.950 126.950 118.860 8.090 18522 2282 1 4 . 1 1 107 107 GLN C C 119 181.211 181.211 174.513 6.698 18522 2283 1 4 . 1 1 107 107 GLN CA C 119 57.416 57.416 55.600 1.816 18522 2284 1 4 . 1 1 107 107 GLN H H 119 8.079 8.079 8.041 0.038 18522 2285 1 4 . 1 1 111 111 ARG C C 123 174.608 174.608 175.809 -1.201 18522 2286 1 4 . 1 1 111 111 ARG CA C 123 55.099 55.099 54.254 0.845 18522 2287 1 4 . 1 1 112 112 HIS N N 124 122.212 122.212 120.636 1.576 18522 2288 1 4 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.843 -0.125 18522 2289 1 4 . 1 1 112 112 HIS C C 124 176.040 176.040 175.110 0.930 18522 2290 1 4 . 1 1 112 112 HIS CA C 124 54.213 54.213 55.952 -1.739 18522 2291 1 4 . 1 1 112 112 HIS CB C 124 31.164 31.164 31.125 0.039 18522 2292 1 4 . 1 1 112 112 HIS H H 124 7.640 7.640 8.680 -1.040 18522 2293 1 4 . 1 1 113 113 TRP C C 125 176.168 176.168 174.678 1.490 18522 2294 1 4 . 1 1 114 114 LEU N N 126 121.893 121.893 119.679 2.214 18522 2295 1 4 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.889 -0.020 18522 2296 1 4 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.035 1.116 18522 2297 1 4 . 1 1 114 114 LEU CB C 126 45.144 45.144 45.305 -0.161 18522 2298 1 4 . 1 1 114 114 LEU H H 126 8.606 8.606 8.915 -0.309 18522 2299 1 4 . 1 1 115 115 LYS N N 127 125.850 125.850 118.674 7.176 18522 2300 1 4 . 1 1 115 115 LYS HA H 127 4.203 4.203 4.949 -0.746 18522 2301 1 4 . 1 1 115 115 LYS C C 127 175.564 175.564 174.809 0.755 18522 2302 1 4 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.412 1.840 18522 2303 1 4 . 1 1 115 115 LYS CB C 127 33.406 33.406 34.749 -1.343 18522 2304 1 4 . 1 1 115 115 LYS H H 127 8.647 8.647 8.206 0.441 18522 2305 1 5 . 1 1 3 3 PRO C C 15 177.225 177.225 177.290 -0.065 18522 2306 1 5 . 1 1 3 3 PRO CA C 15 63.508 63.508 63.672 -0.164 18522 2307 1 5 . 1 1 3 3 PRO CB C 15 32.090 32.090 32.182 -0.092 18522 2308 1 5 . 1 1 4 4 GLY N N 16 108.829 108.829 108.014 0.815 18522 2309 1 5 . 1 1 4 4 GLY C C 16 173.398 173.398 174.731 -1.333 18522 2310 1 5 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.885 0.243 18522 2311 1 5 . 1 1 4 4 GLY H H 16 8.489 8.489 8.434 0.055 18522 2312 1 5 . 1 1 5 5 ILE N N 17 121.763 121.763 119.661 2.102 18522 2313 1 5 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.498 0.056 18522 2314 1 5 . 1 1 5 5 ILE C C 17 174.332 174.332 175.624 -1.292 18522 2315 1 5 . 1 1 5 5 ILE CA C 17 58.245 58.245 58.869 -0.624 18522 2316 1 5 . 1 1 5 5 ILE CB C 17 38.762 38.762 37.226 1.536 18522 2317 1 5 . 1 1 5 5 ILE H H 17 8.014 8.014 8.039 -0.025 18522 2318 1 5 . 1 1 6 6 PRO C C 18 176.437 176.437 176.858 -0.421 18522 2319 1 5 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.543 -1.875 18522 2320 1 5 . 1 1 6 6 PRO CB C 18 32.469 32.469 31.635 0.834 18522 2321 1 5 . 1 1 7 7 VAL N N 19 123.849 123.849 119.260 4.589 18522 2322 1 5 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.300 0.250 18522 2323 1 5 . 1 1 7 7 VAL C C 19 174.453 174.453 174.013 0.440 18522 2324 1 5 . 1 1 7 7 VAL CA C 19 59.846 59.846 58.502 1.344 18522 2325 1 5 . 1 1 7 7 VAL CB C 19 33.510 33.510 31.975 1.535 18522 2326 1 5 . 1 1 7 7 VAL H H 19 8.754 8.754 7.840 0.914 18522 2327 1 5 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.470 0.868 18522 2328 1 5 . 1 1 8 8 PRO C C 20 177.585 177.585 176.797 0.788 18522 2329 1 5 . 1 1 8 8 PRO CA C 20 62.406 62.406 62.526 -0.121 18522 2330 1 5 . 1 1 8 8 PRO CB C 20 32.891 32.891 31.862 1.029 18522 2331 1 5 . 1 1 9 9 GLY N N 21 108.426 108.426 112.950 -4.524 18522 2332 1 5 . 1 1 9 9 GLY C C 21 171.443 171.443 172.791 -1.348 18522 2333 1 5 . 1 1 9 9 GLY CA C 21 44.581 44.581 44.586 -0.005 18522 2334 1 5 . 1 1 9 9 GLY H H 21 8.258 8.258 8.860 -0.602 18522 2335 1 5 . 1 1 10 10 LYS N N 22 117.372 117.372 126.443 -9.071 18522 2336 1 5 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.225 -1.186 18522 2337 1 5 . 1 1 10 10 LYS C C 22 174.463 174.463 174.854 -0.391 18522 2338 1 5 . 1 1 10 10 LYS CA C 22 55.263 55.263 54.451 0.812 18522 2339 1 5 . 1 1 10 10 LYS CB C 22 35.227 35.227 32.817 2.410 18522 2340 1 5 . 1 1 10 10 LYS H H 22 8.175 8.175 7.854 0.321 18522 2341 1 5 . 1 1 11 11 VAL N N 23 120.387 120.387 117.930 2.457 18522 2342 1 5 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.571 0.137 18522 2343 1 5 . 1 1 11 11 VAL C C 23 171.873 171.873 174.506 -2.633 18522 2344 1 5 . 1 1 11 11 VAL CA C 23 59.866 59.866 60.066 -0.201 18522 2345 1 5 . 1 1 11 11 VAL CB C 23 35.269 35.269 34.788 0.481 18522 2346 1 5 . 1 1 11 11 VAL H H 23 8.862 8.862 7.783 1.079 18522 2347 1 5 . 1 1 12 12 THR N N 24 125.797 125.797 120.418 5.379 18522 2348 1 5 . 1 1 12 12 THR HA H 24 5.121 5.121 4.907 0.214 18522 2349 1 5 . 1 1 12 12 THR C C 24 173.407 173.407 173.674 -0.267 18522 2350 1 5 . 1 1 12 12 THR CA C 24 62.115 62.115 60.508 1.607 18522 2351 1 5 . 1 1 12 12 THR CB C 24 69.606 69.606 69.148 0.458 18522 2352 1 5 . 1 1 12 12 THR H H 24 8.859 8.859 8.367 0.492 18522 2353 1 5 . 1 1 13 13 LEU N N 25 127.960 127.960 127.876 0.084 18522 2354 1 5 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.888 -0.079 18522 2355 1 5 . 1 1 13 13 LEU C C 25 175.029 175.029 175.904 -0.875 18522 2356 1 5 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.470 0.153 18522 2357 1 5 . 1 1 13 13 LEU CB C 25 46.242 46.242 44.436 1.806 18522 2358 1 5 . 1 1 13 13 LEU H H 25 9.258 9.258 8.248 1.010 18522 2359 1 5 . 1 1 14 14 GLN N N 26 120.858 120.858 117.270 3.588 18522 2360 1 5 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.583 -0.101 18522 2361 1 5 . 1 1 14 14 GLN C C 26 174.515 174.515 175.106 -0.591 18522 2362 1 5 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.343 0.233 18522 2363 1 5 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.982 -2.466 18522 2364 1 5 . 1 1 14 14 GLN H H 26 8.530 8.530 8.277 0.253 18522 2365 1 5 . 1 1 15 15 LYS N N 27 119.583 119.583 122.275 -2.692 18522 2366 1 5 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.269 -0.089 18522 2367 1 5 . 1 1 15 15 LYS C C 27 177.468 177.468 176.997 0.471 18522 2368 1 5 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.636 -0.680 18522 2369 1 5 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.525 1.574 18522 2370 1 5 . 1 1 15 15 LYS H H 27 8.099 8.099 8.264 -0.165 18522 2371 1 5 . 1 1 16 16 ASP N N 28 121.439 121.439 121.988 -0.549 18522 2372 1 5 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.627 -0.037 18522 2373 1 5 . 1 1 16 16 ASP C C 28 178.392 178.392 177.785 0.607 18522 2374 1 5 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.611 -1.185 18522 2375 1 5 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.630 -1.253 18522 2376 1 5 . 1 1 16 16 ASP H H 28 8.888 8.888 8.560 0.328 18522 2377 1 5 . 1 1 17 17 ALA N N 29 119.578 119.578 123.272 -3.694 18522 2378 1 5 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.087 0.101 18522 2379 1 5 . 1 1 17 17 ALA C C 29 178.763 178.763 178.178 0.585 18522 2380 1 5 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.536 -0.102 18522 2381 1 5 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.690 -0.397 18522 2382 1 5 . 1 1 17 17 ALA H H 29 8.392 8.392 8.698 -0.306 18522 2383 1 5 . 1 1 18 18 GLN N N 30 117.564 117.564 117.633 -0.069 18522 2384 1 5 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.367 0.032 18522 2385 1 5 . 1 1 18 18 GLN C C 30 175.168 175.168 175.293 -0.125 18522 2386 1 5 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.042 0.297 18522 2387 1 5 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.196 -0.607 18522 2388 1 5 . 1 1 18 18 GLN H H 30 8.353 8.353 7.791 0.562 18522 2389 1 5 . 1 1 19 19 ASN N N 31 115.365 115.365 114.696 0.669 18522 2390 1 5 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.355 -0.040 18522 2391 1 5 . 1 1 19 19 ASN C C 31 174.043 174.043 172.664 1.379 18522 2392 1 5 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.626 -0.323 18522 2393 1 5 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.279 0.331 18522 2394 1 5 . 1 1 19 19 ASN H H 31 8.521 8.521 8.363 0.158 18522 2395 1 5 . 1 1 20 20 LEU N N 32 118.660 118.660 112.089 6.571 18522 2396 1 5 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.891 0.009 18522 2397 1 5 . 1 1 20 20 LEU C C 32 178.117 178.117 176.727 1.390 18522 2398 1 5 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.514 0.443 18522 2399 1 5 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.267 1.507 18522 2400 1 5 . 1 1 20 20 LEU H H 32 8.155 8.155 7.321 0.834 18522 2401 1 5 . 1 1 21 21 ILE N N 33 116.785 116.785 115.117 1.668 18522 2402 1 5 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.553 0.121 18522 2403 1 5 . 1 1 21 21 ILE C C 33 176.185 176.185 176.627 -0.442 18522 2404 1 5 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.474 1.128 18522 2405 1 5 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.101 -0.085 18522 2406 1 5 . 1 1 21 21 ILE H H 33 11.488 11.488 8.610 2.878 18522 2407 1 5 . 1 1 22 22 GLY N N 34 111.234 111.234 108.371 2.863 18522 2408 1 5 . 1 1 22 22 GLY C C 34 173.993 173.993 173.547 0.446 18522 2409 1 5 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.141 0.839 18522 2410 1 5 . 1 1 22 22 GLY H H 34 9.854 9.854 8.741 1.113 18522 2411 1 5 . 1 1 23 23 ILE N N 35 111.117 111.117 114.252 -3.135 18522 2412 1 5 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.456 0.079 18522 2413 1 5 . 1 1 23 23 ILE C C 35 175.033 175.033 174.387 0.646 18522 2414 1 5 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.885 0.530 18522 2415 1 5 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.422 0.154 18522 2416 1 5 . 1 1 23 23 ILE H H 35 7.835 7.835 7.525 0.310 18522 2417 1 5 . 1 1 24 24 SER N N 36 114.908 114.908 115.469 -0.561 18522 2418 1 5 . 1 1 24 24 SER HA H 36 4.232 4.232 5.052 -0.820 18522 2419 1 5 . 1 1 24 24 SER C C 36 174.735 174.735 172.939 1.796 18522 2420 1 5 . 1 1 24 24 SER CA C 36 56.121 56.121 57.266 -1.145 18522 2421 1 5 . 1 1 24 24 SER CB C 36 66.097 66.097 65.784 0.313 18522 2422 1 5 . 1 1 24 24 SER H H 36 8.623 8.623 8.177 0.446 18522 2423 1 5 . 1 1 25 25 ILE N N 37 117.739 117.739 124.732 -6.993 18522 2424 1 5 . 1 1 25 25 ILE C C 37 174.340 174.340 175.765 -1.425 18522 2425 1 5 . 1 1 25 25 ILE CA C 37 59.123 59.123 60.210 -1.087 18522 2426 1 5 . 1 1 25 25 ILE CB C 37 41.637 41.637 40.429 1.208 18522 2427 1 5 . 1 1 25 25 ILE H H 37 9.130 9.130 8.556 0.574 18522 2428 1 5 . 1 1 26 26 GLY N N 38 108.069 108.069 112.271 -4.202 18522 2429 1 5 . 1 1 26 26 GLY CA C 38 44.112 44.112 45.189 -1.077 18522 2430 1 5 . 1 1 26 26 GLY H H 38 8.841 8.841 8.111 0.730 18522 2431 1 5 . 1 1 27 27 GLY N N 39 109.016 109.016 107.109 1.907 18522 2432 1 5 . 1 1 27 27 GLY C C 39 173.956 173.956 174.186 -0.230 18522 2433 1 5 . 1 1 27 27 GLY H H 39 8.187 8.187 8.558 -0.371 18522 2434 1 5 . 1 1 28 28 GLY N N 40 111.783 111.783 112.617 -0.834 18522 2435 1 5 . 1 1 28 28 GLY C C 40 174.255 174.255 173.689 0.566 18522 2436 1 5 . 1 1 28 28 GLY CA C 40 47.098 47.098 44.682 2.416 18522 2437 1 5 . 1 1 28 28 GLY H H 40 8.275 8.275 7.668 0.607 18522 2438 1 5 . 1 1 29 29 ALA N N 41 123.128 123.128 126.442 -3.314 18522 2439 1 5 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.104 0.455 18522 2440 1 5 . 1 1 29 29 ALA CA C 41 51.073 51.073 54.202 -3.129 18522 2441 1 5 . 1 1 29 29 ALA CB C 41 21.926 21.926 19.411 2.515 18522 2442 1 5 . 1 1 29 29 ALA H H 41 8.012 8.012 8.407 -0.395 18522 2443 1 5 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.511 0.038 18522 2444 1 5 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.771 -2.624 18522 2445 1 5 . 1 1 31 31 TYR CB C 43 37.495 37.495 40.478 -2.983 18522 2446 1 5 . 1 1 32 32 CYS N N 44 119.332 119.332 116.069 3.263 18522 2447 1 5 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.797 0.062 18522 2448 1 5 . 1 1 32 32 CYS CA C 44 57.406 57.406 56.532 0.874 18522 2449 1 5 . 1 1 32 32 CYS CB C 44 27.673 27.673 27.015 0.658 18522 2450 1 5 . 1 1 32 32 CYS H H 44 7.504 7.504 8.323 -0.819 18522 2451 1 5 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.488 -0.075 18522 2452 1 5 . 1 1 33 33 PRO CA C 45 64.885 64.885 64.090 0.795 18522 2453 1 5 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.363 -0.045 18522 2454 1 5 . 1 1 34 34 CYS N N 46 117.327 117.327 113.925 3.402 18522 2455 1 5 . 1 1 34 34 CYS C C 46 172.064 172.064 173.622 -1.558 18522 2456 1 5 . 1 1 34 34 CYS CA C 46 60.066 60.066 56.677 3.389 18522 2457 1 5 . 1 1 34 34 CYS CB C 46 28.715 28.715 31.686 -2.971 18522 2458 1 5 . 1 1 34 34 CYS H H 46 7.973 7.973 7.653 0.320 18522 2459 1 5 . 1 1 35 35 LEU N N 47 124.270 124.270 115.733 8.537 18522 2460 1 5 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.756 0.172 18522 2461 1 5 . 1 1 35 35 LEU C C 47 175.076 175.076 176.513 -1.437 18522 2462 1 5 . 1 1 35 35 LEU CA C 47 53.278 53.278 54.132 -0.854 18522 2463 1 5 . 1 1 35 35 LEU CB C 47 44.321 44.321 43.259 1.062 18522 2464 1 5 . 1 1 35 35 LEU H H 47 8.629 8.629 8.553 0.076 18522 2465 1 5 . 1 1 36 36 TYR N N 48 119.326 119.326 115.193 4.133 18522 2466 1 5 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.225 1.030 18522 2467 1 5 . 1 1 36 36 TYR C C 48 175.766 175.766 175.241 0.525 18522 2468 1 5 . 1 1 36 36 TYR CA C 48 56.696 56.696 62.175 -5.479 18522 2469 1 5 . 1 1 36 36 TYR CB C 48 42.590 42.590 38.008 4.582 18522 2470 1 5 . 1 1 36 36 TYR H H 48 8.761 8.761 9.155 -0.394 18522 2471 1 5 . 1 1 37 37 ILE N N 49 120.259 120.259 120.267 -0.008 18522 2472 1 5 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.869 -0.654 18522 2473 1 5 . 1 1 37 37 ILE C C 49 177.429 177.429 175.968 1.461 18522 2474 1 5 . 1 1 37 37 ILE CA C 49 62.456 62.456 59.714 2.742 18522 2475 1 5 . 1 1 37 37 ILE CB C 49 37.352 37.352 38.720 -1.368 18522 2476 1 5 . 1 1 37 37 ILE H H 49 8.959 8.959 7.786 1.173 18522 2477 1 5 . 1 1 38 38 VAL HA H 50 3.937 3.937 4.171 -0.234 18522 2478 1 5 . 1 1 38 38 VAL C C 50 174.408 174.408 175.364 -0.956 18522 2479 1 5 . 1 1 38 38 VAL CA C 50 62.259 62.259 62.664 -0.405 18522 2480 1 5 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.819 -1.235 18522 2481 1 5 . 1 1 39 39 GLN N N 51 116.821 116.821 116.448 0.373 18522 2482 1 5 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.438 -0.335 18522 2483 1 5 . 1 1 39 39 GLN C C 51 172.856 172.856 172.948 -0.092 18522 2484 1 5 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.077 0.050 18522 2485 1 5 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.685 -0.309 18522 2486 1 5 . 1 1 39 39 GLN H H 51 6.967 6.967 7.481 -0.514 18522 2487 1 5 . 1 1 40 40 VAL N N 52 123.482 123.482 119.386 4.096 18522 2488 1 5 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.916 -0.639 18522 2489 1 5 . 1 1 40 40 VAL C C 52 176.198 176.198 174.094 2.104 18522 2490 1 5 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.977 1.597 18522 2491 1 5 . 1 1 40 40 VAL CB C 52 32.875 32.875 35.873 -2.998 18522 2492 1 5 . 1 1 40 40 VAL H H 52 8.447 8.447 8.185 0.262 18522 2493 1 5 . 1 1 41 41 PHE N N 53 128.296 128.296 122.876 5.420 18522 2494 1 5 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.816 -0.416 18522 2495 1 5 . 1 1 41 41 PHE C C 53 175.299 175.299 176.179 -0.880 18522 2496 1 5 . 1 1 41 41 PHE CA C 53 58.494 58.494 57.093 1.401 18522 2497 1 5 . 1 1 41 41 PHE CB C 53 39.561 39.561 41.068 -1.506 18522 2498 1 5 . 1 1 41 41 PHE H H 53 8.707 8.707 8.574 0.133 18522 2499 1 5 . 1 1 42 42 ASP N N 54 122.696 122.696 123.740 -1.044 18522 2500 1 5 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.282 -0.010 18522 2501 1 5 . 1 1 42 42 ASP C C 54 176.837 176.837 176.679 0.158 18522 2502 1 5 . 1 1 42 42 ASP CA C 54 55.291 55.291 57.154 -1.863 18522 2503 1 5 . 1 1 42 42 ASP CB C 54 41.093 41.093 41.045 0.048 18522 2504 1 5 . 1 1 42 42 ASP H H 54 8.901 8.901 9.040 -0.139 18522 2505 1 5 . 1 1 43 43 ASN N N 55 113.923 113.923 112.985 0.938 18522 2506 1 5 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.750 -0.492 18522 2507 1 5 . 1 1 43 43 ASN C C 55 173.714 173.714 175.034 -1.320 18522 2508 1 5 . 1 1 43 43 ASN CA C 55 54.958 54.958 52.953 2.005 18522 2509 1 5 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.419 -2.269 18522 2510 1 5 . 1 1 43 43 ASN H H 55 9.319 9.319 8.067 1.252 18522 2511 1 5 . 1 1 44 44 THR N N 56 108.020 108.020 113.145 -5.125 18522 2512 1 5 . 1 1 44 44 THR HA H 56 5.377 5.377 4.883 0.494 18522 2513 1 5 . 1 1 44 44 THR CA C 56 59.712 59.712 59.533 0.179 18522 2514 1 5 . 1 1 44 44 THR CB C 56 69.529 69.529 69.998 -0.469 18522 2515 1 5 . 1 1 44 44 THR H H 56 7.149 7.149 7.826 -0.677 18522 2516 1 5 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.062 0.242 18522 2517 1 5 . 1 1 45 45 PRO C C 57 180.141 180.141 178.080 2.061 18522 2518 1 5 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.671 0.419 18522 2519 1 5 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.382 1.812 18522 2520 1 5 . 1 1 46 46 ALA N N 58 116.854 116.854 120.118 -3.264 18522 2521 1 5 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.038 -0.003 18522 2522 1 5 . 1 1 46 46 ALA C C 58 180.647 180.647 179.518 1.129 18522 2523 1 5 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.297 -0.102 18522 2524 1 5 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.162 0.718 18522 2525 1 5 . 1 1 46 46 ALA H H 58 8.938 8.938 7.837 1.101 18522 2526 1 5 . 1 1 47 47 ALA N N 59 123.250 123.250 121.184 2.066 18522 2527 1 5 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.215 -0.185 18522 2528 1 5 . 1 1 47 47 ALA C C 59 179.852 179.852 179.986 -0.134 18522 2529 1 5 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.448 0.491 18522 2530 1 5 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.486 1.202 18522 2531 1 5 . 1 1 47 47 ALA H H 59 7.658 7.658 7.525 0.133 18522 2532 1 5 . 1 1 48 48 LEU N N 60 118.654 118.654 120.267 -1.613 18522 2533 1 5 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.104 -0.078 18522 2534 1 5 . 1 1 48 48 LEU C C 60 179.238 179.238 178.368 0.870 18522 2535 1 5 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.197 -0.936 18522 2536 1 5 . 1 1 48 48 LEU CB C 60 41.445 41.445 40.727 0.718 18522 2537 1 5 . 1 1 48 48 LEU H H 60 8.636 8.636 8.519 0.117 18522 2538 1 5 . 1 1 49 49 ASP N N 61 117.382 117.382 117.191 0.191 18522 2539 1 5 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.612 -0.191 18522 2540 1 5 . 1 1 49 49 ASP C C 61 177.668 177.668 178.602 -0.934 18522 2541 1 5 . 1 1 49 49 ASP CA C 61 57.087 57.087 55.760 1.327 18522 2542 1 5 . 1 1 49 49 ASP CB C 61 44.478 44.478 42.297 2.182 18522 2543 1 5 . 1 1 49 49 ASP H H 61 7.665 7.665 7.969 -0.304 18522 2544 1 5 . 1 1 50 50 GLY N N 62 103.228 103.228 107.476 -4.248 18522 2545 1 5 . 1 1 50 50 GLY C C 62 174.776 174.776 174.311 0.465 18522 2546 1 5 . 1 1 50 50 GLY CA C 62 46.533 46.533 46.605 -0.072 18522 2547 1 5 . 1 1 50 50 GLY H H 62 7.216 7.216 8.432 -1.216 18522 2548 1 5 . 1 1 51 51 THR N N 63 117.230 117.230 112.538 4.692 18522 2549 1 5 . 1 1 51 51 THR HA H 63 3.907 3.907 3.853 0.054 18522 2550 1 5 . 1 1 51 51 THR C C 63 175.961 175.961 173.447 2.514 18522 2551 1 5 . 1 1 51 51 THR CA C 63 66.478 66.478 62.610 3.868 18522 2552 1 5 . 1 1 51 51 THR CB C 63 68.268 68.268 66.275 1.993 18522 2553 1 5 . 1 1 51 51 THR H H 63 8.319 8.319 7.578 0.741 18522 2554 1 5 . 1 1 52 52 VAL N N 64 113.826 113.826 113.491 0.335 18522 2555 1 5 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.853 -0.903 18522 2556 1 5 . 1 1 52 52 VAL C C 64 173.883 173.883 174.734 -0.851 18522 2557 1 5 . 1 1 52 52 VAL CA C 64 60.708 60.708 59.907 0.800 18522 2558 1 5 . 1 1 52 52 VAL CB C 64 33.079 33.079 31.685 1.394 18522 2559 1 5 . 1 1 52 52 VAL H H 64 8.147 8.147 7.437 0.710 18522 2560 1 5 . 1 1 53 53 ALA N N 65 123.521 123.521 123.925 -0.404 18522 2561 1 5 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.412 0.002 18522 2562 1 5 . 1 1 53 53 ALA C C 65 175.247 175.247 176.590 -1.343 18522 2563 1 5 . 1 1 53 53 ALA CA C 65 50.440 50.440 51.007 -0.567 18522 2564 1 5 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.285 2.981 18522 2565 1 5 . 1 1 53 53 ALA H H 65 8.633 8.633 7.737 0.896 18522 2566 1 5 . 1 1 54 54 ALA N N 66 120.818 120.818 121.965 -1.147 18522 2567 1 5 . 1 1 54 54 ALA HA H 66 3.720 3.720 3.956 -0.236 18522 2568 1 5 . 1 1 54 54 ALA C C 66 178.411 178.411 178.026 0.385 18522 2569 1 5 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.918 -0.902 18522 2570 1 5 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.711 0.129 18522 2571 1 5 . 1 1 54 54 ALA H H 66 8.451 8.451 8.323 0.128 18522 2572 1 5 . 1 1 55 55 GLY N N 67 112.260 112.260 113.141 -0.881 18522 2573 1 5 . 1 1 55 55 GLY C C 67 173.296 173.296 173.759 -0.463 18522 2574 1 5 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.737 0.288 18522 2575 1 5 . 1 1 55 55 GLY H H 67 9.600 9.600 8.487 1.113 18522 2576 1 5 . 1 1 56 56 ASP N N 68 121.293 121.293 120.219 1.074 18522 2577 1 5 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.841 0.020 18522 2578 1 5 . 1 1 56 56 ASP C C 68 174.937 174.937 174.330 0.607 18522 2579 1 5 . 1 1 56 56 ASP CA C 68 55.641 55.641 53.415 2.226 18522 2580 1 5 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.986 -2.290 18522 2581 1 5 . 1 1 56 56 ASP H H 68 8.043 8.043 7.694 0.349 18522 2582 1 5 . 1 1 57 57 GLU N N 69 122.814 122.814 118.943 3.871 18522 2583 1 5 . 1 1 57 57 GLU C C 69 177.202 177.202 175.436 1.766 18522 2584 1 5 . 1 1 57 57 GLU CA C 69 54.472 54.472 54.674 -0.202 18522 2585 1 5 . 1 1 57 57 GLU CB C 69 32.800 32.800 34.156 -1.356 18522 2586 1 5 . 1 1 57 57 GLU H H 69 8.455 8.455 7.852 0.603 18522 2587 1 5 . 1 1 58 58 ILE N N 70 125.862 125.862 124.467 1.395 18522 2588 1 5 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.477 0.049 18522 2589 1 5 . 1 1 58 58 ILE C C 70 175.035 175.035 175.193 -0.158 18522 2590 1 5 . 1 1 58 58 ILE CA C 70 60.918 60.918 60.743 0.175 18522 2591 1 5 . 1 1 58 58 ILE CB C 70 39.236 39.236 39.407 -0.171 18522 2592 1 5 . 1 1 58 58 ILE H H 70 8.619 8.619 8.305 0.314 18522 2593 1 5 . 1 1 59 59 THR N N 71 115.507 115.507 119.689 -4.182 18522 2594 1 5 . 1 1 59 59 THR HA H 71 4.513 4.513 4.181 0.332 18522 2595 1 5 . 1 1 59 59 THR C C 71 176.425 176.425 174.085 2.340 18522 2596 1 5 . 1 1 59 59 THR CA C 71 61.158 61.158 61.121 0.037 18522 2597 1 5 . 1 1 59 59 THR CB C 71 69.604 69.604 69.463 0.141 18522 2598 1 5 . 1 1 59 59 THR H H 71 9.242 9.242 8.915 0.327 18522 2599 1 5 . 1 1 60 60 GLY N N 72 111.789 111.789 109.020 2.769 18522 2600 1 5 . 1 1 60 60 GLY C C 72 170.981 170.981 171.393 -0.412 18522 2601 1 5 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.417 1.137 18522 2602 1 5 . 1 1 60 60 GLY H H 72 7.883 7.883 7.562 0.321 18522 2603 1 5 . 1 1 61 61 VAL N N 73 119.277 119.277 122.365 -3.088 18522 2604 1 5 . 1 1 61 61 VAL C C 73 175.951 175.951 175.620 0.331 18522 2605 1 5 . 1 1 61 61 VAL CA C 73 60.982 60.982 59.532 1.450 18522 2606 1 5 . 1 1 61 61 VAL CB C 73 36.197 36.197 33.725 2.472 18522 2607 1 5 . 1 1 61 61 VAL H H 73 8.424 8.424 8.870 -0.446 18522 2608 1 5 . 1 1 62 62 ASN N N 74 127.731 127.731 128.106 -0.375 18522 2609 1 5 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.460 0.060 18522 2610 1 5 . 1 1 62 62 ASN C C 74 174.878 174.878 175.123 -0.245 18522 2611 1 5 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.492 -0.074 18522 2612 1 5 . 1 1 62 62 ASN CB C 74 36.655 36.655 36.888 -0.233 18522 2613 1 5 . 1 1 62 62 ASN H H 74 10.384 10.384 9.547 0.837 18522 2614 1 5 . 1 1 63 63 GLY N N 75 104.633 104.633 103.782 0.851 18522 2615 1 5 . 1 1 63 63 GLY C C 75 173.610 173.610 173.503 0.107 18522 2616 1 5 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.945 0.316 18522 2617 1 5 . 1 1 63 63 GLY H H 75 8.926 8.926 8.717 0.209 18522 2618 1 5 . 1 1 64 64 ARG N N 76 120.451 120.451 121.576 -1.125 18522 2619 1 5 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.636 -0.135 18522 2620 1 5 . 1 1 64 64 ARG C C 76 175.085 175.085 175.539 -0.454 18522 2621 1 5 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.559 -0.307 18522 2622 1 5 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.466 0.016 18522 2623 1 5 . 1 1 64 64 ARG H H 76 7.753 7.753 7.972 -0.219 18522 2624 1 5 . 1 1 65 65 SER N N 77 116.586 116.586 117.888 -1.302 18522 2625 1 5 . 1 1 65 65 SER HA H 77 4.483 4.483 4.531 -0.048 18522 2626 1 5 . 1 1 65 65 SER C C 77 176.953 176.953 175.346 1.607 18522 2627 1 5 . 1 1 65 65 SER CA C 77 58.292 58.292 59.399 -1.107 18522 2628 1 5 . 1 1 65 65 SER CB C 77 63.643 63.643 63.673 -0.030 18522 2629 1 5 . 1 1 65 65 SER H H 77 8.555 8.555 8.667 -0.112 18522 2630 1 5 . 1 1 66 66 ILE N N 78 116.618 116.618 116.455 0.163 18522 2631 1 5 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.344 0.076 18522 2632 1 5 . 1 1 66 66 ILE C C 78 175.072 175.072 175.762 -0.690 18522 2633 1 5 . 1 1 66 66 ILE CA C 78 59.122 59.122 59.627 -0.505 18522 2634 1 5 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.722 -0.964 18522 2635 1 5 . 1 1 66 66 ILE H H 78 7.599 7.599 7.696 -0.097 18522 2636 1 5 . 1 1 67 67 LYS N N 79 123.287 123.287 122.332 0.955 18522 2637 1 5 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.089 -0.040 18522 2638 1 5 . 1 1 67 67 LYS C C 79 178.333 178.333 176.455 1.878 18522 2639 1 5 . 1 1 67 67 LYS CA C 79 58.321 58.321 56.616 1.705 18522 2640 1 5 . 1 1 67 67 LYS CB C 79 31.635 31.635 30.015 1.620 18522 2641 1 5 . 1 1 67 67 LYS H H 79 7.898 7.898 8.041 -0.143 18522 2642 1 5 . 1 1 68 68 GLY N N 80 114.933 114.933 113.624 1.309 18522 2643 1 5 . 1 1 68 68 GLY C C 80 174.385 174.385 174.234 0.151 18522 2644 1 5 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.403 0.115 18522 2645 1 5 . 1 1 68 68 GLY H H 80 8.999 8.999 8.139 0.860 18522 2646 1 5 . 1 1 69 69 LYS N N 81 119.403 119.403 122.282 -2.879 18522 2647 1 5 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.651 -0.608 18522 2648 1 5 . 1 1 69 69 LYS C C 81 177.064 177.064 175.730 1.334 18522 2649 1 5 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.204 -0.482 18522 2650 1 5 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.708 -0.148 18522 2651 1 5 . 1 1 69 69 LYS H H 81 7.845 7.845 7.738 0.107 18522 2652 1 5 . 1 1 70 70 THR N N 82 112.066 112.066 115.517 -3.451 18522 2653 1 5 . 1 1 70 70 THR HA H 82 4.666 4.666 4.610 0.056 18522 2654 1 5 . 1 1 70 70 THR C C 82 175.955 175.955 175.078 0.877 18522 2655 1 5 . 1 1 70 70 THR CA C 82 60.438 60.438 61.020 -0.583 18522 2656 1 5 . 1 1 70 70 THR CB C 82 71.629 71.629 72.638 -1.009 18522 2657 1 5 . 1 1 70 70 THR H H 82 9.153 9.153 7.747 1.406 18522 2658 1 5 . 1 1 71 71 LYS N N 83 118.730 118.730 125.402 -6.672 18522 2659 1 5 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.825 0.045 18522 2660 1 5 . 1 1 71 71 LYS C C 83 177.464 177.464 177.816 -0.352 18522 2661 1 5 . 1 1 71 71 LYS CA C 83 60.357 60.357 60.174 0.183 18522 2662 1 5 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.377 -0.026 18522 2663 1 5 . 1 1 71 71 LYS H H 83 8.969 8.969 8.845 0.124 18522 2664 1 5 . 1 1 72 72 VAL N N 84 117.444 117.444 118.552 -1.108 18522 2665 1 5 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.639 -0.006 18522 2666 1 5 . 1 1 72 72 VAL C C 84 178.315 178.315 177.690 0.625 18522 2667 1 5 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.610 0.469 18522 2668 1 5 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.546 0.545 18522 2669 1 5 . 1 1 72 72 VAL H H 84 7.631 7.631 8.141 -0.510 18522 2670 1 5 . 1 1 73 73 GLU N N 85 120.890 120.890 119.102 1.788 18522 2671 1 5 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.115 -0.151 18522 2672 1 5 . 1 1 73 73 GLU C C 85 179.971 179.971 178.748 1.223 18522 2673 1 5 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.159 0.157 18522 2674 1 5 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.816 0.539 18522 2675 1 5 . 1 1 73 73 GLU H H 85 7.617 7.617 7.630 -0.013 18522 2676 1 5 . 1 1 74 74 VAL N N 86 121.246 121.246 117.704 3.542 18522 2677 1 5 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.861 -0.231 18522 2678 1 5 . 1 1 74 74 VAL C C 86 177.217 177.217 177.854 -0.637 18522 2679 1 5 . 1 1 74 74 VAL CA C 86 66.678 66.678 65.771 0.907 18522 2680 1 5 . 1 1 74 74 VAL CB C 86 31.307 31.307 31.415 -0.108 18522 2681 1 5 . 1 1 74 74 VAL H H 86 8.368 8.368 8.130 0.238 18522 2682 1 5 . 1 1 75 75 ALA N N 87 122.148 122.148 122.835 -0.687 18522 2683 1 5 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.934 0.013 18522 2684 1 5 . 1 1 75 75 ALA C C 87 179.545 179.545 179.052 0.493 18522 2685 1 5 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.599 0.252 18522 2686 1 5 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.943 0.548 18522 2687 1 5 . 1 1 75 75 ALA H H 87 8.577 8.577 8.713 -0.136 18522 2688 1 5 . 1 1 76 76 LYS N N 88 117.733 117.733 119.012 -1.279 18522 2689 1 5 . 1 1 76 76 LYS HA H 88 4.051 4.051 3.993 0.058 18522 2690 1 5 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.287 0.106 18522 2691 1 5 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.307 -0.249 18522 2692 1 5 . 1 1 76 76 LYS H H 88 7.854 7.854 7.369 0.485 18522 2693 1 5 . 1 1 77 77 MET N N 89 117.676 117.676 118.442 -0.766 18522 2694 1 5 . 1 1 77 77 MET HA H 89 4.048 4.048 4.025 0.023 18522 2695 1 5 . 1 1 77 77 MET C C 89 178.791 178.791 178.941 -0.150 18522 2696 1 5 . 1 1 77 77 MET CA C 89 59.128 59.128 59.364 -0.236 18522 2697 1 5 . 1 1 77 77 MET CB C 89 33.801 33.801 32.591 1.210 18522 2698 1 5 . 1 1 77 77 MET H H 89 7.759 7.759 8.293 -0.534 18522 2699 1 5 . 1 1 78 78 ILE N N 90 117.305 117.305 119.548 -2.243 18522 2700 1 5 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.595 -0.005 18522 2701 1 5 . 1 1 78 78 ILE C C 90 178.658 178.658 177.746 0.912 18522 2702 1 5 . 1 1 78 78 ILE CA C 90 65.482 65.482 65.694 -0.212 18522 2703 1 5 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.858 0.987 18522 2704 1 5 . 1 1 78 78 ILE H H 90 7.972 7.972 8.451 -0.479 18522 2705 1 5 . 1 1 79 79 GLN N N 91 120.935 120.935 118.942 1.993 18522 2706 1 5 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.185 -0.187 18522 2707 1 5 . 1 1 79 79 GLN C C 91 178.274 178.274 178.142 0.132 18522 2708 1 5 . 1 1 79 79 GLN CA C 91 59.151 59.151 58.094 1.057 18522 2709 1 5 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.634 0.300 18522 2710 1 5 . 1 1 79 79 GLN H H 91 8.826 8.826 8.119 0.707 18522 2711 1 5 . 1 1 80 80 GLU N N 92 115.213 115.213 121.185 -5.972 18522 2712 1 5 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.044 0.017 18522 2713 1 5 . 1 1 80 80 GLU C C 92 176.824 176.824 179.129 -2.305 18522 2714 1 5 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.470 -1.464 18522 2715 1 5 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.759 0.132 18522 2716 1 5 . 1 1 80 80 GLU H H 92 8.020 8.020 8.522 -0.502 18522 2717 1 5 . 1 1 81 81 VAL N N 93 119.047 119.047 113.998 5.049 18522 2718 1 5 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.809 0.121 18522 2719 1 5 . 1 1 81 81 VAL C C 93 176.016 176.016 176.058 -0.042 18522 2720 1 5 . 1 1 81 81 VAL CA C 93 63.153 63.153 64.529 -1.376 18522 2721 1 5 . 1 1 81 81 VAL CB C 93 32.154 32.154 31.562 0.591 18522 2722 1 5 . 1 1 81 81 VAL H H 93 7.073 7.073 7.473 -0.400 18522 2723 1 5 . 1 1 82 82 LYS N N 94 128.366 128.366 117.911 10.455 18522 2724 1 5 . 1 1 82 82 LYS C C 94 177.460 177.460 177.618 -0.158 18522 2725 1 5 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.122 -1.369 18522 2726 1 5 . 1 1 82 82 LYS CB C 94 32.332 32.332 31.933 0.399 18522 2727 1 5 . 1 1 82 82 LYS H H 94 8.762 8.762 7.272 1.490 18522 2728 1 5 . 1 1 83 83 GLY N N 95 112.528 112.528 109.200 3.328 18522 2729 1 5 . 1 1 83 83 GLY C C 95 173.468 173.468 173.739 -0.271 18522 2730 1 5 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.562 0.680 18522 2731 1 5 . 1 1 83 83 GLY H H 95 8.673 8.673 8.954 -0.281 18522 2732 1 5 . 1 1 84 84 GLU N N 96 121.485 121.485 121.853 -0.368 18522 2733 1 5 . 1 1 84 84 GLU HA H 96 4.749 4.749 5.159 -0.410 18522 2734 1 5 . 1 1 84 84 GLU C C 96 174.583 174.583 174.771 -0.188 18522 2735 1 5 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.442 1.379 18522 2736 1 5 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.783 -2.373 18522 2737 1 5 . 1 1 84 84 GLU H H 96 8.297 8.297 8.025 0.272 18522 2738 1 5 . 1 1 85 85 VAL N N 97 120.501 120.501 113.962 6.539 18522 2739 1 5 . 1 1 85 85 VAL HA H 97 4.665 4.665 5.084 -0.419 18522 2740 1 5 . 1 1 85 85 VAL C C 97 173.047 173.047 174.252 -1.205 18522 2741 1 5 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.192 -0.078 18522 2742 1 5 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.571 -0.387 18522 2743 1 5 . 1 1 85 85 VAL H H 97 9.096 9.096 8.655 0.441 18522 2744 1 5 . 1 1 86 86 THR N N 98 125.019 125.019 120.294 4.725 18522 2745 1 5 . 1 1 86 86 THR HA H 98 4.076 4.076 5.193 -1.117 18522 2746 1 5 . 1 1 86 86 THR C C 98 173.807 173.807 173.850 -0.043 18522 2747 1 5 . 1 1 86 86 THR CA C 98 61.735 61.735 61.951 -0.216 18522 2748 1 5 . 1 1 86 86 THR CB C 98 69.531 69.531 70.972 -1.441 18522 2749 1 5 . 1 1 86 86 THR H H 98 9.352 9.352 9.150 0.202 18522 2750 1 5 . 1 1 87 87 ILE N N 99 128.383 128.383 122.854 5.529 18522 2751 1 5 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.816 -0.155 18522 2752 1 5 . 1 1 87 87 ILE C C 99 174.614 174.614 174.692 -0.078 18522 2753 1 5 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.096 -0.838 18522 2754 1 5 . 1 1 87 87 ILE CB C 99 38.528 38.528 39.710 -1.182 18522 2755 1 5 . 1 1 87 87 ILE H H 99 9.329 9.329 8.882 0.447 18522 2756 1 5 . 1 1 88 88 HIS N N 100 128.279 128.279 124.256 4.023 18522 2757 1 5 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.330 -0.382 18522 2758 1 5 . 1 1 88 88 HIS C C 100 174.787 174.787 173.889 0.898 18522 2759 1 5 . 1 1 88 88 HIS CA C 100 54.620 54.620 55.580 -0.960 18522 2760 1 5 . 1 1 88 88 HIS H H 100 8.647 8.647 8.356 0.291 18522 2761 1 5 . 1 1 89 89 TYR N N 101 121.320 121.320 125.848 -4.528 18522 2762 1 5 . 1 1 89 89 TYR HA H 101 5.947 5.947 4.685 1.262 18522 2763 1 5 . 1 1 89 89 TYR C C 101 173.769 173.769 172.863 0.906 18522 2764 1 5 . 1 1 89 89 TYR CA C 101 55.669 55.669 58.475 -2.806 18522 2765 1 5 . 1 1 89 89 TYR CB C 101 42.195 42.195 40.721 1.474 18522 2766 1 5 . 1 1 89 89 TYR H H 101 8.414 8.414 9.386 -0.972 18522 2767 1 5 . 1 1 90 90 ASN N N 102 116.679 116.679 117.014 -0.335 18522 2768 1 5 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.000 0.335 18522 2769 1 5 . 1 1 90 90 ASN C C 102 175.406 175.406 173.686 1.720 18522 2770 1 5 . 1 1 90 90 ASN CA C 102 51.961 51.961 52.501 -0.540 18522 2771 1 5 . 1 1 90 90 ASN CB C 102 41.800 41.800 40.818 0.982 18522 2772 1 5 . 1 1 90 90 ASN H H 102 9.282 9.282 7.773 1.509 18522 2773 1 5 . 1 1 91 91 LYS N N 103 124.129 124.129 119.291 4.838 18522 2774 1 5 . 1 1 91 91 LYS C C 103 176.678 176.678 175.083 1.595 18522 2775 1 5 . 1 1 91 91 LYS CA C 103 55.006 55.006 54.589 0.417 18522 2776 1 5 . 1 1 91 91 LYS H H 103 8.949 8.949 8.416 0.533 18522 2777 1 5 . 1 1 92 92 LEU N N 104 127.043 127.043 113.436 13.607 18522 2778 1 5 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.521 -0.096 18522 2779 1 5 . 1 1 92 92 LEU CA C 104 55.060 55.060 55.091 -0.031 18522 2780 1 5 . 1 1 92 92 LEU CB C 104 42.559 42.559 43.934 -1.375 18522 2781 1 5 . 1 1 92 92 LEU H H 104 9.150 9.150 7.383 1.767 18522 2782 1 5 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.544 -0.229 18522 2783 1 5 . 1 1 93 93 GLN C C 105 175.070 175.070 176.384 -1.314 18522 2784 1 5 . 1 1 93 93 GLN CA C 105 55.490 55.490 54.703 0.787 18522 2785 1 5 . 1 1 93 93 GLN CB C 105 28.909 28.909 29.803 -0.894 18522 2786 1 5 . 1 1 94 94 ALA N N 106 125.133 125.133 122.726 2.407 18522 2787 1 5 . 1 1 94 94 ALA HA H 106 4.366 4.366 3.936 0.430 18522 2788 1 5 . 1 1 94 94 ALA C C 106 176.392 176.392 176.494 -0.102 18522 2789 1 5 . 1 1 94 94 ALA CA C 106 51.723 51.723 53.239 -1.516 18522 2790 1 5 . 1 1 94 94 ALA CB C 106 20.185 20.185 17.436 2.749 18522 2791 1 5 . 1 1 94 94 ALA H H 106 8.226 8.226 8.244 -0.018 18522 2792 1 5 . 1 1 95 95 ASP N N 107 122.013 122.013 120.543 1.470 18522 2793 1 5 . 1 1 95 95 ASP HA H 107 4.413 4.413 5.005 -0.592 18522 2794 1 5 . 1 1 95 95 ASP C C 107 175.019 175.019 174.296 0.723 18522 2795 1 5 . 1 1 95 95 ASP CA C 107 55.642 55.642 51.810 3.832 18522 2796 1 5 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.418 -1.152 18522 2797 1 5 . 1 1 95 95 ASP H H 107 8.429 8.429 7.965 0.464 18522 2798 1 5 . 1 1 96 96 PRO HA H 108 4.207 4.207 3.970 0.237 18522 2799 1 5 . 1 1 96 96 PRO C C 108 178.840 178.840 178.227 0.613 18522 2800 1 5 . 1 1 96 96 PRO CA C 108 65.396 65.396 65.749 -0.353 18522 2801 1 5 . 1 1 96 96 PRO CB C 108 32.181 32.181 32.096 0.084 18522 2802 1 5 . 1 1 97 97 LYS N N 109 117.942 117.942 115.604 2.338 18522 2803 1 5 . 1 1 97 97 LYS HA H 109 4.143 4.143 3.969 0.174 18522 2804 1 5 . 1 1 97 97 LYS C C 109 178.099 178.099 179.296 -1.197 18522 2805 1 5 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.127 -0.960 18522 2806 1 5 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.393 0.256 18522 2807 1 5 . 1 1 97 97 LYS H H 109 8.335 8.335 7.711 0.624 18522 2808 1 5 . 1 1 98 98 GLN N N 110 119.159 119.159 118.472 0.687 18522 2809 1 5 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.286 -0.156 18522 2810 1 5 . 1 1 98 98 GLN C C 110 178.298 178.298 178.223 0.075 18522 2811 1 5 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.088 0.572 18522 2812 1 5 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.449 0.271 18522 2813 1 5 . 1 1 98 98 GLN H H 110 7.985 7.985 8.153 -0.168 18522 2814 1 5 . 1 1 99 99 LEU N N 111 120.490 120.490 123.342 -2.852 18522 2815 1 5 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.450 -0.573 18522 2816 1 5 . 1 1 99 99 LEU C C 111 177.729 177.729 178.822 -1.093 18522 2817 1 5 . 1 1 99 99 LEU CA C 111 57.049 57.049 58.347 -1.298 18522 2818 1 5 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.737 -0.271 18522 2819 1 5 . 1 1 99 99 LEU H H 111 7.994 7.994 8.502 -0.508 18522 2820 1 5 . 1 1 100 100 GLU N N 112 118.251 118.251 117.117 1.134 18522 2821 1 5 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.214 -0.242 18522 2822 1 5 . 1 1 100 100 GLU C C 112 178.402 178.402 177.914 0.488 18522 2823 1 5 . 1 1 100 100 GLU CA C 112 59.056 59.056 58.873 0.183 18522 2824 1 5 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.233 0.499 18522 2825 1 5 . 1 1 100 100 GLU H H 112 7.760 7.760 7.733 0.027 18522 2826 1 5 . 1 1 101 101 VAL N N 113 117.229 117.229 117.834 -0.605 18522 2827 1 5 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.837 -0.075 18522 2828 1 5 . 1 1 101 101 VAL C C 113 178.107 178.107 178.482 -0.375 18522 2829 1 5 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.290 -0.499 18522 2830 1 5 . 1 1 101 101 VAL CB C 113 32.149 32.149 32.073 0.076 18522 2831 1 5 . 1 1 101 101 VAL H H 113 7.437 7.437 7.328 0.109 18522 2832 1 5 . 1 1 102 102 LEU N N 114 122.124 122.124 119.897 2.227 18522 2833 1 5 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.219 -0.186 18522 2834 1 5 . 1 1 102 102 LEU C C 114 178.506 178.506 178.225 0.281 18522 2835 1 5 . 1 1 102 102 LEU CA C 114 57.243 57.243 57.255 -0.012 18522 2836 1 5 . 1 1 102 102 LEU CB C 114 42.028 42.028 41.973 0.055 18522 2837 1 5 . 1 1 102 102 LEU H H 114 7.765 7.765 8.378 -0.613 18522 2838 1 5 . 1 1 103 103 PHE N N 115 115.346 115.346 117.174 -1.828 18522 2839 1 5 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.551 -0.327 18522 2840 1 5 . 1 1 103 103 PHE C C 115 175.621 175.621 175.448 0.173 18522 2841 1 5 . 1 1 103 103 PHE CA C 115 57.537 57.537 56.984 0.553 18522 2842 1 5 . 1 1 103 103 PHE CB C 115 38.057 38.057 39.282 -1.225 18522 2843 1 5 . 1 1 103 103 PHE H H 115 7.805 7.805 7.815 -0.010 18522 2844 1 5 . 1 1 104 104 GLN N N 116 119.021 119.021 119.540 -0.519 18522 2845 1 5 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.269 0.138 18522 2846 1 5 . 1 1 104 104 GLN C C 116 176.402 176.402 175.813 0.589 18522 2847 1 5 . 1 1 104 104 GLN CA C 116 55.521 55.521 56.182 -0.661 18522 2848 1 5 . 1 1 104 104 GLN CB C 116 29.170 29.170 28.566 0.604 18522 2849 1 5 . 1 1 104 104 GLN H H 116 7.974 7.974 7.473 0.501 18522 2850 1 5 . 1 1 105 105 GLY N N 117 108.868 108.868 106.519 2.349 18522 2851 1 5 . 1 1 105 105 GLY CA C 117 45.124 45.124 44.967 0.157 18522 2852 1 5 . 1 1 105 105 GLY H H 117 8.195 8.195 7.436 0.759 18522 2853 1 5 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.096 0.394 18522 2854 1 5 . 1 1 106 106 PRO C C 118 176.001 176.001 175.569 0.432 18522 2855 1 5 . 1 1 106 106 PRO CA C 118 63.523 63.523 63.535 -0.012 18522 2856 1 5 . 1 1 106 106 PRO CB C 118 32.078 32.078 31.657 0.421 18522 2857 1 5 . 1 1 107 107 GLN N N 119 126.950 126.950 124.324 2.626 18522 2858 1 5 . 1 1 107 107 GLN C C 119 181.211 181.211 175.437 5.774 18522 2859 1 5 . 1 1 107 107 GLN CA C 119 57.416 57.416 54.383 3.034 18522 2860 1 5 . 1 1 107 107 GLN H H 119 8.079 8.079 8.194 -0.115 18522 2861 1 5 . 1 1 111 111 ARG C C 123 174.608 174.608 174.679 -0.071 18522 2862 1 5 . 1 1 111 111 ARG CA C 123 55.099 55.099 55.017 0.082 18522 2863 1 5 . 1 1 112 112 HIS N N 124 122.212 122.212 119.721 2.491 18522 2864 1 5 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.311 0.407 18522 2865 1 5 . 1 1 112 112 HIS C C 124 176.040 176.040 174.302 1.738 18522 2866 1 5 . 1 1 112 112 HIS CA C 124 54.213 54.213 56.564 -2.351 18522 2867 1 5 . 1 1 112 112 HIS CB C 124 31.164 31.164 29.651 1.514 18522 2868 1 5 . 1 1 112 112 HIS H H 124 7.640 7.640 8.804 -1.164 18522 2869 1 5 . 1 1 113 113 TRP C C 125 176.168 176.168 174.843 1.325 18522 2870 1 5 . 1 1 114 114 LEU N N 126 121.893 121.893 124.536 -2.643 18522 2871 1 5 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.844 0.025 18522 2872 1 5 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.382 0.769 18522 2873 1 5 . 1 1 114 114 LEU CB C 126 45.144 45.144 45.271 -0.127 18522 2874 1 5 . 1 1 114 114 LEU H H 126 8.606 8.606 8.335 0.271 18522 2875 1 5 . 1 1 115 115 LYS N N 127 125.850 125.850 120.376 5.474 18522 2876 1 5 . 1 1 115 115 LYS HA H 127 4.203 4.203 4.928 -0.725 18522 2877 1 5 . 1 1 115 115 LYS C C 127 175.564 175.564 174.312 1.252 18522 2878 1 5 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.498 1.754 18522 2879 1 5 . 1 1 115 115 LYS CB C 127 33.406 33.406 34.733 -1.327 18522 2880 1 5 . 1 1 115 115 LYS H H 127 8.647 8.647 8.166 0.481 18522 2881 1 6 . 1 1 3 3 PRO C C 15 177.225 177.225 177.698 -0.473 18522 2882 1 6 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.467 1.041 18522 2883 1 6 . 1 1 3 3 PRO CB C 15 32.090 32.090 30.593 1.497 18522 2884 1 6 . 1 1 4 4 GLY N N 16 108.829 108.829 110.607 -1.778 18522 2885 1 6 . 1 1 4 4 GLY C C 16 173.398 173.398 174.333 -0.935 18522 2886 1 6 . 1 1 4 4 GLY CA C 16 45.128 45.128 45.779 -0.651 18522 2887 1 6 . 1 1 4 4 GLY H H 16 8.489 8.489 8.289 0.200 18522 2888 1 6 . 1 1 5 5 ILE N N 17 121.763 121.763 118.662 3.101 18522 2889 1 6 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.718 -0.164 18522 2890 1 6 . 1 1 5 5 ILE C C 17 174.332 174.332 174.076 0.256 18522 2891 1 6 . 1 1 5 5 ILE CA C 17 58.245 58.245 58.035 0.209 18522 2892 1 6 . 1 1 5 5 ILE CB C 17 38.762 38.762 38.535 0.227 18522 2893 1 6 . 1 1 5 5 ILE H H 17 8.014 8.014 7.874 0.140 18522 2894 1 6 . 1 1 6 6 PRO C C 18 176.437 176.437 176.469 -0.032 18522 2895 1 6 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.760 -2.092 18522 2896 1 6 . 1 1 6 6 PRO CB C 18 32.469 32.469 32.059 0.410 18522 2897 1 6 . 1 1 7 7 VAL N N 19 123.849 123.849 114.501 9.348 18522 2898 1 6 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.545 0.005 18522 2899 1 6 . 1 1 7 7 VAL C C 19 174.453 174.453 174.094 0.359 18522 2900 1 6 . 1 1 7 7 VAL CA C 19 59.846 59.846 57.840 2.006 18522 2901 1 6 . 1 1 7 7 VAL CB C 19 33.510 33.510 31.448 2.062 18522 2902 1 6 . 1 1 7 7 VAL H H 19 8.754 8.754 7.743 1.011 18522 2903 1 6 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.443 0.895 18522 2904 1 6 . 1 1 8 8 PRO C C 20 177.585 177.585 176.708 0.877 18522 2905 1 6 . 1 1 8 8 PRO CA C 20 62.406 62.406 62.464 -0.058 18522 2906 1 6 . 1 1 8 8 PRO CB C 20 32.891 32.891 32.360 0.531 18522 2907 1 6 . 1 1 9 9 GLY N N 21 108.426 108.426 109.731 -1.305 18522 2908 1 6 . 1 1 9 9 GLY C C 21 171.443 171.443 171.447 -0.004 18522 2909 1 6 . 1 1 9 9 GLY CA C 21 44.581 44.581 44.736 -0.155 18522 2910 1 6 . 1 1 9 9 GLY H H 21 8.258 8.258 8.044 0.214 18522 2911 1 6 . 1 1 10 10 LYS N N 22 117.372 117.372 121.023 -3.651 18522 2912 1 6 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.090 -1.051 18522 2913 1 6 . 1 1 10 10 LYS C C 22 174.463 174.463 174.635 -0.172 18522 2914 1 6 . 1 1 10 10 LYS CA C 22 55.263 55.263 55.226 0.037 18522 2915 1 6 . 1 1 10 10 LYS CB C 22 35.227 35.227 35.560 -0.333 18522 2916 1 6 . 1 1 10 10 LYS H H 22 8.175 8.175 8.016 0.159 18522 2917 1 6 . 1 1 11 11 VAL N N 23 120.387 120.387 118.857 1.530 18522 2918 1 6 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.604 0.104 18522 2919 1 6 . 1 1 11 11 VAL C C 23 171.873 171.873 174.482 -2.609 18522 2920 1 6 . 1 1 11 11 VAL CA C 23 59.866 59.866 60.477 -0.611 18522 2921 1 6 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.656 -0.387 18522 2922 1 6 . 1 1 11 11 VAL H H 23 8.862 8.862 8.375 0.487 18522 2923 1 6 . 1 1 12 12 THR N N 24 125.797 125.797 119.705 6.092 18522 2924 1 6 . 1 1 12 12 THR HA H 24 5.121 5.121 4.790 0.331 18522 2925 1 6 . 1 1 12 12 THR C C 24 173.407 173.407 174.006 -0.599 18522 2926 1 6 . 1 1 12 12 THR CA C 24 62.115 62.115 60.944 1.171 18522 2927 1 6 . 1 1 12 12 THR CB C 24 69.606 69.606 68.875 0.731 18522 2928 1 6 . 1 1 12 12 THR H H 24 8.859 8.859 8.344 0.515 18522 2929 1 6 . 1 1 13 13 LEU N N 25 127.960 127.960 127.366 0.594 18522 2930 1 6 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.861 -0.052 18522 2931 1 6 . 1 1 13 13 LEU C C 25 175.029 175.029 174.882 0.147 18522 2932 1 6 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.959 -0.336 18522 2933 1 6 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.503 0.739 18522 2934 1 6 . 1 1 13 13 LEU H H 25 9.258 9.258 7.931 1.327 18522 2935 1 6 . 1 1 14 14 GLN N N 26 120.858 120.858 117.679 3.179 18522 2936 1 6 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.484 -0.002 18522 2937 1 6 . 1 1 14 14 GLN C C 26 174.515 174.515 174.806 -0.291 18522 2938 1 6 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.003 0.573 18522 2939 1 6 . 1 1 14 14 GLN CB C 26 29.516 29.516 32.025 -2.509 18522 2940 1 6 . 1 1 14 14 GLN H H 26 8.530 8.530 8.299 0.231 18522 2941 1 6 . 1 1 15 15 LYS N N 27 119.583 119.583 122.928 -3.345 18522 2942 1 6 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.222 -0.042 18522 2943 1 6 . 1 1 15 15 LYS C C 27 177.468 177.468 176.956 0.512 18522 2944 1 6 . 1 1 15 15 LYS CA C 27 55.956 55.956 57.549 -1.593 18522 2945 1 6 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.395 1.704 18522 2946 1 6 . 1 1 15 15 LYS H H 27 8.099 8.099 8.534 -0.435 18522 2947 1 6 . 1 1 16 16 ASP N N 28 121.439 121.439 122.305 -0.866 18522 2948 1 6 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.656 -0.066 18522 2949 1 6 . 1 1 16 16 ASP C C 28 178.392 178.392 177.991 0.401 18522 2950 1 6 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.853 -1.427 18522 2951 1 6 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.490 -1.113 18522 2952 1 6 . 1 1 16 16 ASP H H 28 8.888 8.888 8.567 0.321 18522 2953 1 6 . 1 1 17 17 ALA N N 29 119.578 119.578 123.614 -4.036 18522 2954 1 6 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.111 0.077 18522 2955 1 6 . 1 1 17 17 ALA C C 29 178.763 178.763 178.632 0.131 18522 2956 1 6 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.490 -0.056 18522 2957 1 6 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.631 -0.338 18522 2958 1 6 . 1 1 17 17 ALA H H 29 8.392 8.392 8.607 -0.215 18522 2959 1 6 . 1 1 18 18 GLN N N 30 117.564 117.564 116.545 1.019 18522 2960 1 6 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.290 0.109 18522 2961 1 6 . 1 1 18 18 GLN C C 30 175.168 175.168 175.419 -0.251 18522 2962 1 6 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.265 0.074 18522 2963 1 6 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.291 -0.702 18522 2964 1 6 . 1 1 18 18 GLN H H 30 8.353 8.353 7.787 0.566 18522 2965 1 6 . 1 1 19 19 ASN N N 31 115.365 115.365 116.125 -0.760 18522 2966 1 6 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.437 -0.122 18522 2967 1 6 . 1 1 19 19 ASN C C 31 174.043 174.043 173.053 0.990 18522 2968 1 6 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.365 -0.062 18522 2969 1 6 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.532 0.078 18522 2970 1 6 . 1 1 19 19 ASN H H 31 8.521 8.521 8.233 0.288 18522 2971 1 6 . 1 1 20 20 LEU N N 32 118.660 118.660 111.104 7.556 18522 2972 1 6 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.848 0.052 18522 2973 1 6 . 1 1 20 20 LEU C C 32 178.117 178.117 176.384 1.733 18522 2974 1 6 . 1 1 20 20 LEU CA C 32 53.957 53.957 52.328 1.629 18522 2975 1 6 . 1 1 20 20 LEU CB C 32 44.774 44.774 44.661 0.113 18522 2976 1 6 . 1 1 20 20 LEU H H 32 8.155 8.155 7.356 0.799 18522 2977 1 6 . 1 1 21 21 ILE N N 33 116.785 116.785 116.449 0.336 18522 2978 1 6 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.366 0.308 18522 2979 1 6 . 1 1 21 21 ILE C C 33 176.185 176.185 176.295 -0.110 18522 2980 1 6 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.201 1.401 18522 2981 1 6 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.265 -0.249 18522 2982 1 6 . 1 1 21 21 ILE H H 33 11.488 11.488 8.336 3.152 18522 2983 1 6 . 1 1 22 22 GLY N N 34 111.234 111.234 108.563 2.671 18522 2984 1 6 . 1 1 22 22 GLY C C 34 173.993 173.993 173.671 0.322 18522 2985 1 6 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.199 0.781 18522 2986 1 6 . 1 1 22 22 GLY H H 34 9.854 9.854 8.047 1.807 18522 2987 1 6 . 1 1 23 23 ILE N N 35 111.117 111.117 113.481 -2.364 18522 2988 1 6 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.595 -0.060 18522 2989 1 6 . 1 1 23 23 ILE C C 35 175.033 175.033 174.057 0.976 18522 2990 1 6 . 1 1 23 23 ILE CA C 35 58.415 58.415 58.088 0.327 18522 2991 1 6 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.801 -0.224 18522 2992 1 6 . 1 1 23 23 ILE H H 35 7.835 7.835 8.409 -0.574 18522 2993 1 6 . 1 1 24 24 SER N N 36 114.908 114.908 115.191 -0.283 18522 2994 1 6 . 1 1 24 24 SER HA H 36 4.232 4.232 5.201 -0.969 18522 2995 1 6 . 1 1 24 24 SER C C 36 174.735 174.735 173.042 1.693 18522 2996 1 6 . 1 1 24 24 SER CA C 36 56.121 56.121 57.602 -1.481 18522 2997 1 6 . 1 1 24 24 SER CB C 36 66.097 66.097 65.773 0.324 18522 2998 1 6 . 1 1 24 24 SER H H 36 8.623 8.623 8.424 0.199 18522 2999 1 6 . 1 1 25 25 ILE N N 37 117.739 117.739 125.563 -7.824 18522 3000 1 6 . 1 1 25 25 ILE C C 37 174.340 174.340 175.020 -0.680 18522 3001 1 6 . 1 1 25 25 ILE CA C 37 59.123 59.123 60.383 -1.260 18522 3002 1 6 . 1 1 25 25 ILE CB C 37 41.637 41.637 39.651 1.986 18522 3003 1 6 . 1 1 25 25 ILE H H 37 9.130 9.130 8.703 0.427 18522 3004 1 6 . 1 1 26 26 GLY N N 38 108.069 108.069 115.309 -7.240 18522 3005 1 6 . 1 1 26 26 GLY CA C 38 44.112 44.112 43.783 0.329 18522 3006 1 6 . 1 1 26 26 GLY H H 38 8.841 8.841 8.908 -0.067 18522 3007 1 6 . 1 1 27 27 GLY N N 39 109.016 109.016 109.396 -0.380 18522 3008 1 6 . 1 1 27 27 GLY C C 39 173.956 173.956 173.429 0.527 18522 3009 1 6 . 1 1 27 27 GLY H H 39 8.187 8.187 7.651 0.536 18522 3010 1 6 . 1 1 28 28 GLY N N 40 111.783 111.783 106.417 5.366 18522 3011 1 6 . 1 1 28 28 GLY C C 40 174.255 174.255 172.970 1.285 18522 3012 1 6 . 1 1 28 28 GLY CA C 40 47.098 47.098 44.825 2.273 18522 3013 1 6 . 1 1 28 28 GLY H H 40 8.275 8.275 7.825 0.450 18522 3014 1 6 . 1 1 29 29 ALA N N 41 123.128 123.128 118.818 4.310 18522 3015 1 6 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.924 -0.365 18522 3016 1 6 . 1 1 29 29 ALA CA C 41 51.073 51.073 52.976 -1.903 18522 3017 1 6 . 1 1 29 29 ALA CB C 41 21.926 21.926 19.091 2.835 18522 3018 1 6 . 1 1 29 29 ALA H H 41 8.012 8.012 8.020 -0.008 18522 3019 1 6 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.679 -0.130 18522 3020 1 6 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.868 -2.721 18522 3021 1 6 . 1 1 31 31 TYR CB C 43 37.495 37.495 39.369 -1.874 18522 3022 1 6 . 1 1 32 32 CYS N N 44 119.332 119.332 112.956 6.376 18522 3023 1 6 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.814 0.045 18522 3024 1 6 . 1 1 32 32 CYS CA C 44 57.406 57.406 55.780 1.626 18522 3025 1 6 . 1 1 32 32 CYS CB C 44 27.673 27.673 29.182 -1.509 18522 3026 1 6 . 1 1 32 32 CYS H H 44 7.504 7.504 8.042 -0.538 18522 3027 1 6 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.500 -0.087 18522 3028 1 6 . 1 1 33 33 PRO CA C 45 64.885 64.885 64.395 0.490 18522 3029 1 6 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.035 0.283 18522 3030 1 6 . 1 1 34 34 CYS N N 46 117.327 117.327 117.198 0.129 18522 3031 1 6 . 1 1 34 34 CYS C C 46 172.064 172.064 174.097 -2.033 18522 3032 1 6 . 1 1 34 34 CYS CA C 46 60.066 60.066 60.292 -0.226 18522 3033 1 6 . 1 1 34 34 CYS CB C 46 28.715 28.715 27.981 0.734 18522 3034 1 6 . 1 1 34 34 CYS H H 46 7.973 7.973 8.498 -0.525 18522 3035 1 6 . 1 1 35 35 LEU N N 47 124.270 124.270 122.278 1.992 18522 3036 1 6 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.604 0.324 18522 3037 1 6 . 1 1 35 35 LEU C C 47 175.076 175.076 175.555 -0.479 18522 3038 1 6 . 1 1 35 35 LEU CA C 47 53.278 53.278 55.081 -1.803 18522 3039 1 6 . 1 1 35 35 LEU CB C 47 44.321 44.321 43.557 0.764 18522 3040 1 6 . 1 1 35 35 LEU H H 47 8.629 8.629 8.198 0.431 18522 3041 1 6 . 1 1 36 36 TYR N N 48 119.326 119.326 112.528 6.798 18522 3042 1 6 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.948 0.307 18522 3043 1 6 . 1 1 36 36 TYR C C 48 175.766 175.766 173.635 2.131 18522 3044 1 6 . 1 1 36 36 TYR CA C 48 56.696 56.696 55.942 0.754 18522 3045 1 6 . 1 1 36 36 TYR CB C 48 42.590 42.590 40.524 2.066 18522 3046 1 6 . 1 1 36 36 TYR H H 48 8.761 8.761 7.593 1.168 18522 3047 1 6 . 1 1 37 37 ILE N N 49 120.259 120.259 122.362 -2.103 18522 3048 1 6 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.476 -0.261 18522 3049 1 6 . 1 1 37 37 ILE C C 49 177.429 177.429 176.280 1.149 18522 3050 1 6 . 1 1 37 37 ILE CA C 49 62.456 62.456 60.651 1.805 18522 3051 1 6 . 1 1 37 37 ILE CB C 49 37.352 37.352 38.877 -1.525 18522 3052 1 6 . 1 1 37 37 ILE H H 49 8.959 8.959 9.000 -0.041 18522 3053 1 6 . 1 1 38 38 VAL HA H 50 3.937 3.937 4.289 -0.352 18522 3054 1 6 . 1 1 38 38 VAL C C 50 174.408 174.408 175.121 -0.713 18522 3055 1 6 . 1 1 38 38 VAL CA C 50 62.259 62.259 62.289 -0.030 18522 3056 1 6 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.259 -0.675 18522 3057 1 6 . 1 1 39 39 GLN N N 51 116.821 116.821 118.916 -2.095 18522 3058 1 6 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.424 -0.321 18522 3059 1 6 . 1 1 39 39 GLN C C 51 172.856 172.856 173.049 -0.193 18522 3060 1 6 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.248 -0.121 18522 3061 1 6 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.460 -0.084 18522 3062 1 6 . 1 1 39 39 GLN H H 51 6.967 6.967 7.494 -0.527 18522 3063 1 6 . 1 1 40 40 VAL N N 52 123.482 123.482 122.253 1.229 18522 3064 1 6 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.986 -0.709 18522 3065 1 6 . 1 1 40 40 VAL C C 52 176.198 176.198 174.525 1.673 18522 3066 1 6 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.635 1.939 18522 3067 1 6 . 1 1 40 40 VAL CB C 52 32.875 32.875 34.749 -1.874 18522 3068 1 6 . 1 1 40 40 VAL H H 52 8.447 8.447 8.130 0.317 18522 3069 1 6 . 1 1 41 41 PHE N N 53 128.296 128.296 124.054 4.242 18522 3070 1 6 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.706 -0.306 18522 3071 1 6 . 1 1 41 41 PHE C C 53 175.299 175.299 175.020 0.279 18522 3072 1 6 . 1 1 41 41 PHE CA C 53 58.494 58.494 58.431 0.063 18522 3073 1 6 . 1 1 41 41 PHE CB C 53 39.561 39.561 39.730 -0.169 18522 3074 1 6 . 1 1 41 41 PHE H H 53 8.707 8.707 8.564 0.143 18522 3075 1 6 . 1 1 42 42 ASP N N 54 122.696 122.696 116.414 6.282 18522 3076 1 6 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.677 -0.405 18522 3077 1 6 . 1 1 42 42 ASP C C 54 176.837 176.837 175.744 1.093 18522 3078 1 6 . 1 1 42 42 ASP CA C 54 55.291 55.291 55.065 0.226 18522 3079 1 6 . 1 1 42 42 ASP CB C 54 41.093 41.093 42.465 -1.372 18522 3080 1 6 . 1 1 42 42 ASP H H 54 8.901 8.901 8.447 0.454 18522 3081 1 6 . 1 1 43 43 ASN N N 55 113.923 113.923 117.597 -3.674 18522 3082 1 6 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.813 -0.555 18522 3083 1 6 . 1 1 43 43 ASN C C 55 173.714 173.714 174.722 -1.008 18522 3084 1 6 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.439 1.519 18522 3085 1 6 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.360 -2.210 18522 3086 1 6 . 1 1 43 43 ASN H H 55 9.319 9.319 8.311 1.008 18522 3087 1 6 . 1 1 44 44 THR N N 56 108.020 108.020 111.403 -3.383 18522 3088 1 6 . 1 1 44 44 THR HA H 56 5.377 5.377 4.709 0.668 18522 3089 1 6 . 1 1 44 44 THR CA C 56 59.712 59.712 59.648 0.064 18522 3090 1 6 . 1 1 44 44 THR CB C 56 69.529 69.529 69.686 -0.157 18522 3091 1 6 . 1 1 44 44 THR H H 56 7.149 7.149 7.532 -0.383 18522 3092 1 6 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.092 0.212 18522 3093 1 6 . 1 1 45 45 PRO C C 57 180.141 180.141 177.946 2.195 18522 3094 1 6 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.738 0.352 18522 3095 1 6 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.503 1.691 18522 3096 1 6 . 1 1 46 46 ALA N N 58 116.854 116.854 119.252 -2.398 18522 3097 1 6 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.011 0.024 18522 3098 1 6 . 1 1 46 46 ALA C C 58 180.647 180.647 179.385 1.262 18522 3099 1 6 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.156 0.039 18522 3100 1 6 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.141 0.739 18522 3101 1 6 . 1 1 46 46 ALA H H 58 8.938 8.938 7.776 1.162 18522 3102 1 6 . 1 1 47 47 ALA N N 59 123.250 123.250 120.848 2.402 18522 3103 1 6 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.079 -0.049 18522 3104 1 6 . 1 1 47 47 ALA C C 59 179.852 179.852 179.750 0.102 18522 3105 1 6 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.665 0.274 18522 3106 1 6 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.780 0.908 18522 3107 1 6 . 1 1 47 47 ALA H H 59 7.658 7.658 7.349 0.309 18522 3108 1 6 . 1 1 48 48 LEU N N 60 118.654 118.654 118.620 0.034 18522 3109 1 6 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.150 -0.124 18522 3110 1 6 . 1 1 48 48 LEU C C 60 179.238 179.238 178.133 1.105 18522 3111 1 6 . 1 1 48 48 LEU CA C 60 57.261 57.261 57.871 -0.610 18522 3112 1 6 . 1 1 48 48 LEU CB C 60 41.445 41.445 41.602 -0.157 18522 3113 1 6 . 1 1 48 48 LEU H H 60 8.636 8.636 8.423 0.213 18522 3114 1 6 . 1 1 49 49 ASP N N 61 117.382 117.382 118.947 -1.565 18522 3115 1 6 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.606 -0.185 18522 3116 1 6 . 1 1 49 49 ASP C C 61 177.668 177.668 177.553 0.115 18522 3117 1 6 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.705 2.382 18522 3118 1 6 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.792 2.686 18522 3119 1 6 . 1 1 49 49 ASP H H 61 7.665 7.665 7.694 -0.029 18522 3120 1 6 . 1 1 50 50 GLY N N 62 103.228 103.228 107.974 -4.746 18522 3121 1 6 . 1 1 50 50 GLY C C 62 174.776 174.776 175.044 -0.268 18522 3122 1 6 . 1 1 50 50 GLY CA C 62 46.533 46.533 45.933 0.600 18522 3123 1 6 . 1 1 50 50 GLY H H 62 7.216 7.216 7.941 -0.725 18522 3124 1 6 . 1 1 51 51 THR N N 63 117.230 117.230 110.248 6.982 18522 3125 1 6 . 1 1 51 51 THR HA H 63 3.907 3.907 3.791 0.116 18522 3126 1 6 . 1 1 51 51 THR C C 63 175.961 175.961 174.814 1.147 18522 3127 1 6 . 1 1 51 51 THR CA C 63 66.478 66.478 63.120 3.358 18522 3128 1 6 . 1 1 51 51 THR CB C 63 68.268 68.268 67.612 0.655 18522 3129 1 6 . 1 1 51 51 THR H H 63 8.319 8.319 7.749 0.570 18522 3130 1 6 . 1 1 52 52 VAL N N 64 113.826 113.826 116.505 -2.679 18522 3131 1 6 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.082 -0.132 18522 3132 1 6 . 1 1 52 52 VAL C C 64 173.883 173.883 174.711 -0.828 18522 3133 1 6 . 1 1 52 52 VAL CA C 64 60.708 60.708 60.719 -0.012 18522 3134 1 6 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.496 2.583 18522 3135 1 6 . 1 1 52 52 VAL H H 64 8.147 8.147 7.226 0.921 18522 3136 1 6 . 1 1 53 53 ALA N N 65 123.521 123.521 123.705 -0.184 18522 3137 1 6 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.521 -0.107 18522 3138 1 6 . 1 1 53 53 ALA C C 65 175.247 175.247 176.692 -1.445 18522 3139 1 6 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.352 0.088 18522 3140 1 6 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.613 2.653 18522 3141 1 6 . 1 1 53 53 ALA H H 65 8.633 8.633 7.213 1.420 18522 3142 1 6 . 1 1 54 54 ALA N N 66 120.818 120.818 123.002 -2.184 18522 3143 1 6 . 1 1 54 54 ALA HA H 66 3.720 3.720 4.116 -0.396 18522 3144 1 6 . 1 1 54 54 ALA C C 66 178.411 178.411 178.586 -0.175 18522 3145 1 6 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.279 -0.263 18522 3146 1 6 . 1 1 54 54 ALA CB C 66 17.840 17.840 18.000 -0.160 18522 3147 1 6 . 1 1 54 54 ALA H H 66 8.451 8.451 8.415 0.036 18522 3148 1 6 . 1 1 55 55 GLY N N 67 112.260 112.260 113.742 -1.482 18522 3149 1 6 . 1 1 55 55 GLY C C 67 173.296 173.296 174.063 -0.767 18522 3150 1 6 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.642 0.383 18522 3151 1 6 . 1 1 55 55 GLY H H 67 9.600 9.600 9.283 0.317 18522 3152 1 6 . 1 1 56 56 ASP N N 68 121.293 121.293 122.247 -0.954 18522 3153 1 6 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.839 0.022 18522 3154 1 6 . 1 1 56 56 ASP C C 68 174.937 174.937 174.386 0.551 18522 3155 1 6 . 1 1 56 56 ASP CA C 68 55.641 55.641 54.360 1.281 18522 3156 1 6 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.477 -1.781 18522 3157 1 6 . 1 1 56 56 ASP H H 68 8.043 8.043 7.727 0.316 18522 3158 1 6 . 1 1 57 57 GLU N N 69 122.814 122.814 122.738 0.076 18522 3159 1 6 . 1 1 57 57 GLU C C 69 177.202 177.202 175.480 1.722 18522 3160 1 6 . 1 1 57 57 GLU CA C 69 54.472 54.472 55.657 -1.185 18522 3161 1 6 . 1 1 57 57 GLU CB C 69 32.800 32.800 31.057 1.743 18522 3162 1 6 . 1 1 57 57 GLU H H 69 8.455 8.455 8.499 -0.044 18522 3163 1 6 . 1 1 58 58 ILE N N 70 125.862 125.862 127.355 -1.493 18522 3164 1 6 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.570 -0.044 18522 3165 1 6 . 1 1 58 58 ILE C C 70 175.035 175.035 176.220 -1.185 18522 3166 1 6 . 1 1 58 58 ILE CA C 70 60.918 60.918 60.100 0.818 18522 3167 1 6 . 1 1 58 58 ILE CB C 70 39.236 39.236 36.757 2.479 18522 3168 1 6 . 1 1 58 58 ILE H H 70 8.619 8.619 8.413 0.206 18522 3169 1 6 . 1 1 59 59 THR N N 71 115.507 115.507 122.789 -7.282 18522 3170 1 6 . 1 1 59 59 THR HA H 71 4.513 4.513 4.609 -0.096 18522 3171 1 6 . 1 1 59 59 THR C C 71 176.425 176.425 174.234 2.191 18522 3172 1 6 . 1 1 59 59 THR CA C 71 61.158 61.158 61.800 -0.642 18522 3173 1 6 . 1 1 59 59 THR CB C 71 69.604 69.604 70.548 -0.944 18522 3174 1 6 . 1 1 59 59 THR H H 71 9.242 9.242 9.226 0.016 18522 3175 1 6 . 1 1 60 60 GLY N N 72 111.789 111.789 108.181 3.608 18522 3176 1 6 . 1 1 60 60 GLY C C 72 170.981 170.981 171.266 -0.285 18522 3177 1 6 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.541 1.013 18522 3178 1 6 . 1 1 60 60 GLY H H 72 7.883 7.883 7.725 0.158 18522 3179 1 6 . 1 1 61 61 VAL N N 73 119.277 119.277 120.415 -1.138 18522 3180 1 6 . 1 1 61 61 VAL C C 73 175.951 175.951 175.586 0.365 18522 3181 1 6 . 1 1 61 61 VAL CA C 73 60.982 60.982 59.036 1.946 18522 3182 1 6 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.678 1.519 18522 3183 1 6 . 1 1 61 61 VAL H H 73 8.424 8.424 8.734 -0.310 18522 3184 1 6 . 1 1 62 62 ASN N N 74 127.731 127.731 126.858 0.873 18522 3185 1 6 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.338 0.182 18522 3186 1 6 . 1 1 62 62 ASN C C 74 174.878 174.878 175.005 -0.127 18522 3187 1 6 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.684 -0.266 18522 3188 1 6 . 1 1 62 62 ASN CB C 74 36.655 36.655 38.188 -1.533 18522 3189 1 6 . 1 1 62 62 ASN H H 74 10.384 10.384 9.552 0.832 18522 3190 1 6 . 1 1 63 63 GLY N N 75 104.633 104.633 103.406 1.227 18522 3191 1 6 . 1 1 63 63 GLY C C 75 173.610 173.610 173.412 0.198 18522 3192 1 6 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.841 0.420 18522 3193 1 6 . 1 1 63 63 GLY H H 75 8.926 8.926 8.277 0.649 18522 3194 1 6 . 1 1 64 64 ARG N N 76 120.451 120.451 121.921 -1.470 18522 3195 1 6 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.664 -0.163 18522 3196 1 6 . 1 1 64 64 ARG C C 76 175.085 175.085 175.665 -0.580 18522 3197 1 6 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.428 -0.176 18522 3198 1 6 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.261 0.221 18522 3199 1 6 . 1 1 64 64 ARG H H 76 7.753 7.753 7.987 -0.234 18522 3200 1 6 . 1 1 65 65 SER N N 77 116.586 116.586 119.865 -3.279 18522 3201 1 6 . 1 1 65 65 SER HA H 77 4.483 4.483 4.567 -0.084 18522 3202 1 6 . 1 1 65 65 SER C C 77 176.953 176.953 175.075 1.878 18522 3203 1 6 . 1 1 65 65 SER CA C 77 58.292 58.292 58.578 -0.286 18522 3204 1 6 . 1 1 65 65 SER CB C 77 63.643 63.643 63.659 -0.016 18522 3205 1 6 . 1 1 65 65 SER H H 77 8.555 8.555 8.850 -0.295 18522 3206 1 6 . 1 1 66 66 ILE N N 78 116.618 116.618 116.832 -0.214 18522 3207 1 6 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.320 0.100 18522 3208 1 6 . 1 1 66 66 ILE C C 78 175.072 175.072 176.230 -1.158 18522 3209 1 6 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.119 -1.997 18522 3210 1 6 . 1 1 66 66 ILE CB C 78 36.758 36.758 38.159 -1.401 18522 3211 1 6 . 1 1 66 66 ILE H H 78 7.599 7.599 7.813 -0.214 18522 3212 1 6 . 1 1 67 67 LYS N N 79 123.287 123.287 122.915 0.372 18522 3213 1 6 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.108 -0.059 18522 3214 1 6 . 1 1 67 67 LYS C C 79 178.333 178.333 176.653 1.680 18522 3215 1 6 . 1 1 67 67 LYS CA C 79 58.321 58.321 57.453 0.868 18522 3216 1 6 . 1 1 67 67 LYS CB C 79 31.635 31.635 31.194 0.441 18522 3217 1 6 . 1 1 67 67 LYS H H 79 7.898 7.898 8.184 -0.286 18522 3218 1 6 . 1 1 68 68 GLY N N 80 114.933 114.933 114.801 0.132 18522 3219 1 6 . 1 1 68 68 GLY C C 80 174.385 174.385 173.983 0.402 18522 3220 1 6 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.160 0.358 18522 3221 1 6 . 1 1 68 68 GLY H H 80 8.999 8.999 8.387 0.612 18522 3222 1 6 . 1 1 69 69 LYS N N 81 119.403 119.403 121.785 -2.382 18522 3223 1 6 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.653 -0.610 18522 3224 1 6 . 1 1 69 69 LYS C C 81 177.064 177.064 175.213 1.851 18522 3225 1 6 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.319 -0.597 18522 3226 1 6 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.468 0.092 18522 3227 1 6 . 1 1 69 69 LYS H H 81 7.845 7.845 8.130 -0.285 18522 3228 1 6 . 1 1 70 70 THR N N 82 112.066 112.066 116.753 -4.687 18522 3229 1 6 . 1 1 70 70 THR HA H 82 4.666 4.666 4.629 0.037 18522 3230 1 6 . 1 1 70 70 THR C C 82 175.955 175.955 175.233 0.722 18522 3231 1 6 . 1 1 70 70 THR CA C 82 60.438 60.438 60.492 -0.054 18522 3232 1 6 . 1 1 70 70 THR CB C 82 71.629 71.629 72.246 -0.617 18522 3233 1 6 . 1 1 70 70 THR H H 82 9.153 9.153 7.985 1.168 18522 3234 1 6 . 1 1 71 71 LYS N N 83 118.730 118.730 125.778 -7.048 18522 3235 1 6 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.935 -0.065 18522 3236 1 6 . 1 1 71 71 LYS C C 83 177.464 177.464 178.538 -1.074 18522 3237 1 6 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.425 0.931 18522 3238 1 6 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.626 -0.276 18522 3239 1 6 . 1 1 71 71 LYS H H 83 8.969 8.969 8.864 0.105 18522 3240 1 6 . 1 1 72 72 VAL N N 84 117.444 117.444 119.267 -1.823 18522 3241 1 6 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.695 -0.062 18522 3242 1 6 . 1 1 72 72 VAL C C 84 178.315 178.315 177.294 1.021 18522 3243 1 6 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.953 0.126 18522 3244 1 6 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.683 0.408 18522 3245 1 6 . 1 1 72 72 VAL H H 84 7.631 7.631 8.275 -0.644 18522 3246 1 6 . 1 1 73 73 GLU N N 85 120.890 120.890 119.238 1.652 18522 3247 1 6 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.086 -0.122 18522 3248 1 6 . 1 1 73 73 GLU C C 85 179.971 179.971 178.928 1.043 18522 3249 1 6 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.545 -0.229 18522 3250 1 6 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.456 0.899 18522 3251 1 6 . 1 1 73 73 GLU H H 85 7.617 7.617 7.495 0.122 18522 3252 1 6 . 1 1 74 74 VAL N N 86 121.246 121.246 118.104 3.142 18522 3253 1 6 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.725 -0.095 18522 3254 1 6 . 1 1 74 74 VAL C C 86 177.217 177.217 177.889 -0.672 18522 3255 1 6 . 1 1 74 74 VAL CA C 86 66.678 66.678 65.888 0.791 18522 3256 1 6 . 1 1 74 74 VAL CB C 86 31.307 31.307 30.634 0.673 18522 3257 1 6 . 1 1 74 74 VAL H H 86 8.368 8.368 8.420 -0.052 18522 3258 1 6 . 1 1 75 75 ALA N N 87 122.148 122.148 122.442 -0.294 18522 3259 1 6 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.986 -0.039 18522 3260 1 6 . 1 1 75 75 ALA C C 87 179.545 179.545 179.333 0.212 18522 3261 1 6 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.209 0.642 18522 3262 1 6 . 1 1 75 75 ALA CB C 87 18.491 18.491 18.153 0.338 18522 3263 1 6 . 1 1 75 75 ALA H H 87 8.577 8.577 8.303 0.274 18522 3264 1 6 . 1 1 76 76 LYS N N 88 117.733 117.733 119.709 -1.976 18522 3265 1 6 . 1 1 76 76 LYS HA H 88 4.051 4.051 4.003 0.048 18522 3266 1 6 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.395 -0.002 18522 3267 1 6 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.379 -0.321 18522 3268 1 6 . 1 1 76 76 LYS H H 88 7.854 7.854 7.551 0.303 18522 3269 1 6 . 1 1 77 77 MET N N 89 117.676 117.676 117.698 -0.022 18522 3270 1 6 . 1 1 77 77 MET HA H 89 4.048 4.048 4.153 -0.105 18522 3271 1 6 . 1 1 77 77 MET C C 89 178.791 178.791 179.033 -0.242 18522 3272 1 6 . 1 1 77 77 MET CA C 89 59.128 59.128 58.213 0.915 18522 3273 1 6 . 1 1 77 77 MET CB C 89 33.801 33.801 31.897 1.904 18522 3274 1 6 . 1 1 77 77 MET H H 89 7.759 7.759 8.319 -0.560 18522 3275 1 6 . 1 1 78 78 ILE N N 90 117.305 117.305 118.733 -1.428 18522 3276 1 6 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.690 -0.100 18522 3277 1 6 . 1 1 78 78 ILE C C 90 178.658 178.658 178.295 0.363 18522 3278 1 6 . 1 1 78 78 ILE CA C 90 65.482 65.482 65.124 0.358 18522 3279 1 6 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.555 1.290 18522 3280 1 6 . 1 1 78 78 ILE H H 90 7.972 7.972 7.776 0.196 18522 3281 1 6 . 1 1 79 79 GLN N N 91 120.935 120.935 118.899 2.036 18522 3282 1 6 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.151 -0.153 18522 3283 1 6 . 1 1 79 79 GLN C C 91 178.274 178.274 178.100 0.174 18522 3284 1 6 . 1 1 79 79 GLN CA C 91 59.151 59.151 58.054 1.097 18522 3285 1 6 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.908 0.026 18522 3286 1 6 . 1 1 79 79 GLN H H 91 8.826 8.826 8.054 0.772 18522 3287 1 6 . 1 1 80 80 GLU N N 92 115.213 115.213 121.110 -5.897 18522 3288 1 6 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.107 -0.046 18522 3289 1 6 . 1 1 80 80 GLU C C 92 176.824 176.824 178.643 -1.819 18522 3290 1 6 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.208 -1.202 18522 3291 1 6 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.502 0.388 18522 3292 1 6 . 1 1 80 80 GLU H H 92 8.020 8.020 8.324 -0.304 18522 3293 1 6 . 1 1 81 81 VAL N N 93 119.047 119.047 114.928 4.119 18522 3294 1 6 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.851 0.079 18522 3295 1 6 . 1 1 81 81 VAL C C 93 176.016 176.016 176.020 -0.004 18522 3296 1 6 . 1 1 81 81 VAL CA C 93 63.153 63.153 64.000 -0.847 18522 3297 1 6 . 1 1 81 81 VAL CB C 93 32.154 32.154 31.905 0.249 18522 3298 1 6 . 1 1 81 81 VAL H H 93 7.073 7.073 7.531 -0.458 18522 3299 1 6 . 1 1 82 82 LYS N N 94 128.366 128.366 118.931 9.435 18522 3300 1 6 . 1 1 82 82 LYS C C 94 177.460 177.460 177.048 0.412 18522 3301 1 6 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.302 -1.549 18522 3302 1 6 . 1 1 82 82 LYS CB C 94 32.332 32.332 31.845 0.487 18522 3303 1 6 . 1 1 82 82 LYS H H 94 8.762 8.762 7.486 1.276 18522 3304 1 6 . 1 1 83 83 GLY N N 95 112.528 112.528 111.204 1.324 18522 3305 1 6 . 1 1 83 83 GLY C C 95 173.468 173.468 173.137 0.331 18522 3306 1 6 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.508 0.735 18522 3307 1 6 . 1 1 83 83 GLY H H 95 8.673 8.673 8.704 -0.031 18522 3308 1 6 . 1 1 84 84 GLU N N 96 121.485 121.485 119.242 2.243 18522 3309 1 6 . 1 1 84 84 GLU HA H 96 4.749 4.749 4.575 0.174 18522 3310 1 6 . 1 1 84 84 GLU C C 96 174.583 174.583 174.198 0.385 18522 3311 1 6 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.148 1.673 18522 3312 1 6 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.343 -1.933 18522 3313 1 6 . 1 1 84 84 GLU H H 96 8.297 8.297 7.524 0.773 18522 3314 1 6 . 1 1 85 85 VAL N N 97 120.501 120.501 115.505 4.996 18522 3315 1 6 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.537 0.128 18522 3316 1 6 . 1 1 85 85 VAL C C 97 173.047 173.047 173.979 -0.932 18522 3317 1 6 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.225 -0.111 18522 3318 1 6 . 1 1 85 85 VAL CB C 97 35.184 35.184 36.144 -0.960 18522 3319 1 6 . 1 1 85 85 VAL H H 97 9.096 9.096 8.480 0.616 18522 3320 1 6 . 1 1 86 86 THR N N 98 125.019 125.019 117.831 7.188 18522 3321 1 6 . 1 1 86 86 THR HA H 98 4.076 4.076 4.899 -0.823 18522 3322 1 6 . 1 1 86 86 THR C C 98 173.807 173.807 174.114 -0.307 18522 3323 1 6 . 1 1 86 86 THR CA C 98 61.735 61.735 61.266 0.469 18522 3324 1 6 . 1 1 86 86 THR CB C 98 69.531 69.531 69.687 -0.156 18522 3325 1 6 . 1 1 86 86 THR H H 98 9.352 9.352 8.193 1.159 18522 3326 1 6 . 1 1 87 87 ILE N N 99 128.383 128.383 122.459 5.924 18522 3327 1 6 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.831 -0.170 18522 3328 1 6 . 1 1 87 87 ILE C C 99 174.614 174.614 174.475 0.139 18522 3329 1 6 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.105 -0.847 18522 3330 1 6 . 1 1 87 87 ILE CB C 99 38.528 38.528 39.425 -0.897 18522 3331 1 6 . 1 1 87 87 ILE H H 99 9.329 9.329 8.472 0.857 18522 3332 1 6 . 1 1 88 88 HIS N N 100 128.279 128.279 124.067 4.212 18522 3333 1 6 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.392 -0.444 18522 3334 1 6 . 1 1 88 88 HIS C C 100 174.787 174.787 175.019 -0.232 18522 3335 1 6 . 1 1 88 88 HIS CA C 100 54.620 54.620 54.177 0.443 18522 3336 1 6 . 1 1 88 88 HIS H H 100 8.647 8.647 8.789 -0.142 18522 3337 1 6 . 1 1 89 89 TYR N N 101 121.320 121.320 122.024 -0.704 18522 3338 1 6 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.727 0.220 18522 3339 1 6 . 1 1 89 89 TYR C C 101 173.769 173.769 173.130 0.639 18522 3340 1 6 . 1 1 89 89 TYR CA C 101 55.669 55.669 55.478 0.191 18522 3341 1 6 . 1 1 89 89 TYR CB C 101 42.195 42.195 41.425 0.770 18522 3342 1 6 . 1 1 89 89 TYR H H 101 8.414 8.414 8.913 -0.499 18522 3343 1 6 . 1 1 90 90 ASN N N 102 116.679 116.679 114.980 1.699 18522 3344 1 6 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.286 0.049 18522 3345 1 6 . 1 1 90 90 ASN C C 102 175.406 175.406 173.236 2.170 18522 3346 1 6 . 1 1 90 90 ASN CA C 102 51.961 51.961 53.079 -1.118 18522 3347 1 6 . 1 1 90 90 ASN CB C 102 41.800 41.800 41.512 0.288 18522 3348 1 6 . 1 1 90 90 ASN H H 102 9.282 9.282 9.002 0.280 18522 3349 1 6 . 1 1 91 91 LYS N N 103 124.129 124.129 119.236 4.893 18522 3350 1 6 . 1 1 91 91 LYS C C 103 176.678 176.678 174.799 1.879 18522 3351 1 6 . 1 1 91 91 LYS CA C 103 55.006 55.006 55.893 -0.887 18522 3352 1 6 . 1 1 91 91 LYS H H 103 8.949 8.949 8.423 0.526 18522 3353 1 6 . 1 1 92 92 LEU N N 104 127.043 127.043 122.837 4.206 18522 3354 1 6 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.662 -0.237 18522 3355 1 6 . 1 1 92 92 LEU CA C 104 55.060 55.060 54.409 0.651 18522 3356 1 6 . 1 1 92 92 LEU CB C 104 42.559 42.559 44.341 -1.782 18522 3357 1 6 . 1 1 92 92 LEU H H 104 9.150 9.150 8.477 0.673 18522 3358 1 6 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.526 -0.211 18522 3359 1 6 . 1 1 93 93 GLN C C 105 175.070 175.070 174.897 0.173 18522 3360 1 6 . 1 1 93 93 GLN CA C 105 55.490 55.490 54.958 0.532 18522 3361 1 6 . 1 1 93 93 GLN CB C 105 28.909 28.909 29.126 -0.217 18522 3362 1 6 . 1 1 94 94 ALA N N 106 125.133 125.133 128.036 -2.903 18522 3363 1 6 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.333 0.033 18522 3364 1 6 . 1 1 94 94 ALA C C 106 176.392 176.392 176.326 0.066 18522 3365 1 6 . 1 1 94 94 ALA CA C 106 51.723 51.723 52.275 -0.552 18522 3366 1 6 . 1 1 94 94 ALA CB C 106 20.185 20.185 19.531 0.654 18522 3367 1 6 . 1 1 94 94 ALA H H 106 8.226 8.226 8.366 -0.140 18522 3368 1 6 . 1 1 95 95 ASP N N 107 122.013 122.013 119.457 2.556 18522 3369 1 6 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.813 -0.400 18522 3370 1 6 . 1 1 95 95 ASP C C 107 175.019 175.019 175.014 0.005 18522 3371 1 6 . 1 1 95 95 ASP CA C 107 55.642 55.642 52.479 3.163 18522 3372 1 6 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.630 -1.364 18522 3373 1 6 . 1 1 95 95 ASP H H 107 8.429 8.429 8.333 0.096 18522 3374 1 6 . 1 1 96 96 PRO HA H 108 4.207 4.207 4.066 0.141 18522 3375 1 6 . 1 1 96 96 PRO C C 108 178.840 178.840 178.387 0.453 18522 3376 1 6 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.429 -1.033 18522 3377 1 6 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.558 0.622 18522 3378 1 6 . 1 1 97 97 LYS N N 109 117.942 117.942 115.440 2.502 18522 3379 1 6 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.055 0.088 18522 3380 1 6 . 1 1 97 97 LYS C C 109 178.099 178.099 179.172 -1.073 18522 3381 1 6 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.103 -0.936 18522 3382 1 6 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.483 0.166 18522 3383 1 6 . 1 1 97 97 LYS H H 109 8.335 8.335 8.355 -0.020 18522 3384 1 6 . 1 1 98 98 GLN N N 110 119.159 119.159 118.043 1.116 18522 3385 1 6 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.298 -0.168 18522 3386 1 6 . 1 1 98 98 GLN C C 110 178.298 178.298 178.376 -0.078 18522 3387 1 6 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.137 0.523 18522 3388 1 6 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.715 0.005 18522 3389 1 6 . 1 1 98 98 GLN H H 110 7.985 7.985 8.140 -0.155 18522 3390 1 6 . 1 1 99 99 LEU N N 111 120.490 120.490 122.209 -1.719 18522 3391 1 6 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.226 -0.349 18522 3392 1 6 . 1 1 99 99 LEU C C 111 177.729 177.729 178.367 -0.638 18522 3393 1 6 . 1 1 99 99 LEU CA C 111 57.049 57.049 57.844 -0.796 18522 3394 1 6 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.813 -0.347 18522 3395 1 6 . 1 1 99 99 LEU H H 111 7.994 7.994 8.416 -0.422 18522 3396 1 6 . 1 1 100 100 GLU N N 112 118.251 118.251 118.051 0.200 18522 3397 1 6 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.130 -0.158 18522 3398 1 6 . 1 1 100 100 GLU C C 112 178.402 178.402 177.863 0.539 18522 3399 1 6 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.057 -0.001 18522 3400 1 6 . 1 1 100 100 GLU CB C 112 29.732 29.732 28.970 0.763 18522 3401 1 6 . 1 1 100 100 GLU H H 112 7.760 7.760 8.224 -0.464 18522 3402 1 6 . 1 1 101 101 VAL N N 113 117.229 117.229 118.035 -0.806 18522 3403 1 6 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.770 -0.008 18522 3404 1 6 . 1 1 101 101 VAL C C 113 178.107 178.107 178.328 -0.221 18522 3405 1 6 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.202 -0.411 18522 3406 1 6 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.927 0.222 18522 3407 1 6 . 1 1 101 101 VAL H H 113 7.437 7.437 7.410 0.027 18522 3408 1 6 . 1 1 102 102 LEU N N 114 122.124 122.124 118.010 4.114 18522 3409 1 6 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.151 -0.118 18522 3410 1 6 . 1 1 102 102 LEU C C 114 178.506 178.506 177.488 1.018 18522 3411 1 6 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.158 1.085 18522 3412 1 6 . 1 1 102 102 LEU CB C 114 42.028 42.028 42.163 -0.135 18522 3413 1 6 . 1 1 102 102 LEU H H 114 7.765 7.765 7.273 0.492 18522 3414 1 6 . 1 1 103 103 PHE N N 115 115.346 115.346 117.351 -2.005 18522 3415 1 6 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.572 -0.348 18522 3416 1 6 . 1 1 103 103 PHE C C 115 175.621 175.621 175.754 -0.133 18522 3417 1 6 . 1 1 103 103 PHE CA C 115 57.537 57.537 56.856 0.681 18522 3418 1 6 . 1 1 103 103 PHE CB C 115 38.057 38.057 38.862 -0.805 18522 3419 1 6 . 1 1 103 103 PHE H H 115 7.805 7.805 7.947 -0.142 18522 3420 1 6 . 1 1 104 104 GLN N N 116 119.021 119.021 119.433 -0.412 18522 3421 1 6 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.352 0.055 18522 3422 1 6 . 1 1 104 104 GLN C C 116 176.402 176.402 175.738 0.664 18522 3423 1 6 . 1 1 104 104 GLN CA C 116 55.521 55.521 56.059 -0.538 18522 3424 1 6 . 1 1 104 104 GLN CB C 116 29.170 29.170 29.261 -0.091 18522 3425 1 6 . 1 1 104 104 GLN H H 116 7.974 7.974 7.924 0.050 18522 3426 1 6 . 1 1 105 105 GLY N N 117 108.868 108.868 107.920 0.948 18522 3427 1 6 . 1 1 105 105 GLY CA C 117 45.124 45.124 44.714 0.410 18522 3428 1 6 . 1 1 105 105 GLY H H 117 8.195 8.195 7.532 0.663 18522 3429 1 6 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.148 0.342 18522 3430 1 6 . 1 1 106 106 PRO C C 118 176.001 176.001 176.623 -0.622 18522 3431 1 6 . 1 1 106 106 PRO CA C 118 63.523 63.523 63.069 0.454 18522 3432 1 6 . 1 1 106 106 PRO CB C 118 32.078 32.078 32.096 -0.018 18522 3433 1 6 . 1 1 107 107 GLN N N 119 126.950 126.950 116.240 10.710 18522 3434 1 6 . 1 1 107 107 GLN C C 119 181.211 181.211 174.338 6.873 18522 3435 1 6 . 1 1 107 107 GLN CA C 119 57.416 57.416 55.435 1.981 18522 3436 1 6 . 1 1 107 107 GLN H H 119 8.079 8.079 7.715 0.364 18522 3437 1 6 . 1 1 111 111 ARG C C 123 174.608 174.608 175.523 -0.915 18522 3438 1 6 . 1 1 111 111 ARG CA C 123 55.099 55.099 54.176 0.923 18522 3439 1 6 . 1 1 112 112 HIS N N 124 122.212 122.212 122.644 -0.432 18522 3440 1 6 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.095 0.623 18522 3441 1 6 . 1 1 112 112 HIS C C 124 176.040 176.040 175.004 1.036 18522 3442 1 6 . 1 1 112 112 HIS CA C 124 54.213 54.213 56.563 -2.350 18522 3443 1 6 . 1 1 112 112 HIS CB C 124 31.164 31.164 31.087 0.077 18522 3444 1 6 . 1 1 112 112 HIS H H 124 7.640 7.640 8.476 -0.836 18522 3445 1 6 . 1 1 113 113 TRP C C 125 176.168 176.168 177.092 -0.924 18522 3446 1 6 . 1 1 114 114 LEU N N 126 121.893 121.893 123.969 -2.076 18522 3447 1 6 . 1 1 114 114 LEU HA H 126 4.869 4.869 5.008 -0.139 18522 3448 1 6 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.974 0.177 18522 3449 1 6 . 1 1 114 114 LEU CB C 126 45.144 45.144 43.586 1.558 18522 3450 1 6 . 1 1 114 114 LEU H H 126 8.606 8.606 8.550 0.056 18522 3451 1 6 . 1 1 115 115 LYS N N 127 125.850 125.850 117.745 8.105 18522 3452 1 6 . 1 1 115 115 LYS HA H 127 4.203 4.203 5.111 -0.908 18522 3453 1 6 . 1 1 115 115 LYS C C 127 175.564 175.564 175.015 0.549 18522 3454 1 6 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.180 2.072 18522 3455 1 6 . 1 1 115 115 LYS CB C 127 33.406 33.406 35.442 -2.036 18522 3456 1 6 . 1 1 115 115 LYS H H 127 8.647 8.647 8.150 0.497 18522 3457 1 7 . 1 1 3 3 PRO C C 15 177.225 177.225 177.407 -0.182 18522 3458 1 7 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.731 0.777 18522 3459 1 7 . 1 1 3 3 PRO CB C 15 32.090 32.090 32.099 -0.009 18522 3460 1 7 . 1 1 4 4 GLY N N 16 108.829 108.829 109.843 -1.014 18522 3461 1 7 . 1 1 4 4 GLY C C 16 173.398 173.398 174.238 -0.840 18522 3462 1 7 . 1 1 4 4 GLY CA C 16 45.128 45.128 45.855 -0.727 18522 3463 1 7 . 1 1 4 4 GLY H H 16 8.489 8.489 7.826 0.663 18522 3464 1 7 . 1 1 5 5 ILE N N 17 121.763 121.763 119.029 2.734 18522 3465 1 7 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.808 -0.254 18522 3466 1 7 . 1 1 5 5 ILE C C 17 174.332 174.332 174.505 -0.173 18522 3467 1 7 . 1 1 5 5 ILE CA C 17 58.245 58.245 57.787 0.458 18522 3468 1 7 . 1 1 5 5 ILE CB C 17 38.762 38.762 38.613 0.149 18522 3469 1 7 . 1 1 5 5 ILE H H 17 8.014 8.014 7.757 0.257 18522 3470 1 7 . 1 1 6 6 PRO C C 18 176.437 176.437 175.647 0.790 18522 3471 1 7 . 1 1 6 6 PRO CA C 18 62.667 62.667 62.024 0.643 18522 3472 1 7 . 1 1 6 6 PRO CB C 18 32.469 32.469 32.213 0.256 18522 3473 1 7 . 1 1 7 7 VAL N N 19 123.849 123.849 118.628 5.221 18522 3474 1 7 . 1 1 7 7 VAL HA H 19 4.550 4.550 3.857 0.693 18522 3475 1 7 . 1 1 7 7 VAL C C 19 174.453 174.453 174.881 -0.428 18522 3476 1 7 . 1 1 7 7 VAL CA C 19 59.846 59.846 62.213 -2.367 18522 3477 1 7 . 1 1 7 7 VAL CB C 19 33.510 33.510 31.080 2.430 18522 3478 1 7 . 1 1 7 7 VAL H H 19 8.754 8.754 8.164 0.590 18522 3479 1 7 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.778 0.560 18522 3480 1 7 . 1 1 8 8 PRO C C 20 177.585 177.585 176.049 1.536 18522 3481 1 7 . 1 1 8 8 PRO CA C 20 62.406 62.406 61.738 0.668 18522 3482 1 7 . 1 1 8 8 PRO CB C 20 32.891 32.891 32.436 0.455 18522 3483 1 7 . 1 1 9 9 GLY N N 21 108.426 108.426 112.003 -3.577 18522 3484 1 7 . 1 1 9 9 GLY C C 21 171.443 171.443 171.860 -0.417 18522 3485 1 7 . 1 1 9 9 GLY CA C 21 44.581 44.581 43.477 1.104 18522 3486 1 7 . 1 1 9 9 GLY H H 21 8.258 8.258 8.807 -0.549 18522 3487 1 7 . 1 1 10 10 LYS N N 22 117.372 117.372 121.672 -4.300 18522 3488 1 7 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.131 -1.092 18522 3489 1 7 . 1 1 10 10 LYS C C 22 174.463 174.463 174.494 -0.031 18522 3490 1 7 . 1 1 10 10 LYS CA C 22 55.263 55.263 54.432 0.831 18522 3491 1 7 . 1 1 10 10 LYS CB C 22 35.227 35.227 34.186 1.041 18522 3492 1 7 . 1 1 10 10 LYS H H 22 8.175 8.175 7.951 0.224 18522 3493 1 7 . 1 1 11 11 VAL N N 23 120.387 120.387 117.041 3.346 18522 3494 1 7 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.681 0.027 18522 3495 1 7 . 1 1 11 11 VAL C C 23 171.873 171.873 173.961 -2.088 18522 3496 1 7 . 1 1 11 11 VAL CA C 23 59.866 59.866 59.612 0.254 18522 3497 1 7 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.149 0.120 18522 3498 1 7 . 1 1 11 11 VAL H H 23 8.862 8.862 8.273 0.589 18522 3499 1 7 . 1 1 12 12 THR N N 24 125.797 125.797 118.694 7.103 18522 3500 1 7 . 1 1 12 12 THR HA H 24 5.121 5.121 5.169 -0.048 18522 3501 1 7 . 1 1 12 12 THR C C 24 173.407 173.407 173.384 0.023 18522 3502 1 7 . 1 1 12 12 THR CA C 24 62.115 62.115 60.469 1.646 18522 3503 1 7 . 1 1 12 12 THR CB C 24 69.606 69.606 69.521 0.085 18522 3504 1 7 . 1 1 12 12 THR H H 24 8.859 8.859 8.355 0.504 18522 3505 1 7 . 1 1 13 13 LEU N N 25 127.960 127.960 126.594 1.366 18522 3506 1 7 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.920 -0.111 18522 3507 1 7 . 1 1 13 13 LEU C C 25 175.029 175.029 175.311 -0.282 18522 3508 1 7 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.377 0.246 18522 3509 1 7 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.377 0.865 18522 3510 1 7 . 1 1 13 13 LEU H H 25 9.258 9.258 8.721 0.537 18522 3511 1 7 . 1 1 14 14 GLN N N 26 120.858 120.858 116.702 4.156 18522 3512 1 7 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.637 -0.155 18522 3513 1 7 . 1 1 14 14 GLN C C 26 174.515 174.515 175.950 -1.435 18522 3514 1 7 . 1 1 14 14 GLN CA C 26 54.576 54.576 53.603 0.973 18522 3515 1 7 . 1 1 14 14 GLN CB C 26 29.516 29.516 30.998 -1.482 18522 3516 1 7 . 1 1 14 14 GLN H H 26 8.530 8.530 8.178 0.352 18522 3517 1 7 . 1 1 15 15 LYS N N 27 119.583 119.583 120.940 -1.357 18522 3518 1 7 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.250 -0.070 18522 3519 1 7 . 1 1 15 15 LYS C C 27 177.468 177.468 176.882 0.586 18522 3520 1 7 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.548 -0.592 18522 3521 1 7 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.574 1.526 18522 3522 1 7 . 1 1 15 15 LYS H H 27 8.099 8.099 8.405 -0.306 18522 3523 1 7 . 1 1 16 16 ASP N N 28 121.439 121.439 121.137 0.302 18522 3524 1 7 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.674 -0.084 18522 3525 1 7 . 1 1 16 16 ASP C C 28 178.392 178.392 177.727 0.665 18522 3526 1 7 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.226 -0.800 18522 3527 1 7 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.953 -1.576 18522 3528 1 7 . 1 1 16 16 ASP H H 28 8.888 8.888 8.649 0.239 18522 3529 1 7 . 1 1 17 17 ALA N N 29 119.578 119.578 123.889 -4.311 18522 3530 1 7 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.106 0.082 18522 3531 1 7 . 1 1 17 17 ALA C C 29 178.763 178.763 178.213 0.550 18522 3532 1 7 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.534 -0.100 18522 3533 1 7 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.634 -0.341 18522 3534 1 7 . 1 1 17 17 ALA H H 29 8.392 8.392 8.755 -0.363 18522 3535 1 7 . 1 1 18 18 GLN N N 30 117.564 117.564 116.951 0.613 18522 3536 1 7 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.344 0.055 18522 3537 1 7 . 1 1 18 18 GLN C C 30 175.168 175.168 175.493 -0.325 18522 3538 1 7 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.323 0.016 18522 3539 1 7 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.520 -0.931 18522 3540 1 7 . 1 1 18 18 GLN H H 30 8.353 8.353 7.837 0.516 18522 3541 1 7 . 1 1 19 19 ASN N N 31 115.365 115.365 116.954 -1.589 18522 3542 1 7 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.377 -0.062 18522 3543 1 7 . 1 1 19 19 ASN C C 31 174.043 174.043 173.267 0.776 18522 3544 1 7 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.275 0.028 18522 3545 1 7 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.845 -0.235 18522 3546 1 7 . 1 1 19 19 ASN H H 31 8.521 8.521 8.195 0.326 18522 3547 1 7 . 1 1 20 20 LEU N N 32 118.660 118.660 110.174 8.486 18522 3548 1 7 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.787 0.113 18522 3549 1 7 . 1 1 20 20 LEU C C 32 178.117 178.117 176.023 2.094 18522 3550 1 7 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.845 0.112 18522 3551 1 7 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.827 0.947 18522 3552 1 7 . 1 1 20 20 LEU H H 32 8.155 8.155 7.299 0.856 18522 3553 1 7 . 1 1 21 21 ILE N N 33 116.785 116.785 117.185 -0.400 18522 3554 1 7 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.388 0.286 18522 3555 1 7 . 1 1 21 21 ILE C C 33 176.185 176.185 176.722 -0.537 18522 3556 1 7 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.546 1.056 18522 3557 1 7 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.330 -0.314 18522 3558 1 7 . 1 1 21 21 ILE H H 33 11.488 11.488 8.371 3.117 18522 3559 1 7 . 1 1 22 22 GLY N N 34 111.234 111.234 107.831 3.403 18522 3560 1 7 . 1 1 22 22 GLY C C 34 173.993 173.993 173.901 0.092 18522 3561 1 7 . 1 1 22 22 GLY CA C 34 45.980 45.980 44.792 1.188 18522 3562 1 7 . 1 1 22 22 GLY H H 34 9.854 9.854 8.543 1.311 18522 3563 1 7 . 1 1 23 23 ILE N N 35 111.117 111.117 113.481 -2.364 18522 3564 1 7 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.004 0.531 18522 3565 1 7 . 1 1 23 23 ILE C C 35 175.033 175.033 173.862 1.171 18522 3566 1 7 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.716 0.699 18522 3567 1 7 . 1 1 23 23 ILE CB C 35 41.577 41.577 42.110 -0.533 18522 3568 1 7 . 1 1 23 23 ILE H H 35 7.835 7.835 6.928 0.907 18522 3569 1 7 . 1 1 24 24 SER N N 36 114.908 114.908 115.349 -0.441 18522 3570 1 7 . 1 1 24 24 SER HA H 36 4.232 4.232 4.854 -0.622 18522 3571 1 7 . 1 1 24 24 SER C C 36 174.735 174.735 172.745 1.990 18522 3572 1 7 . 1 1 24 24 SER CA C 36 56.121 56.121 57.075 -0.954 18522 3573 1 7 . 1 1 24 24 SER CB C 36 66.097 66.097 65.374 0.724 18522 3574 1 7 . 1 1 24 24 SER H H 36 8.623 8.623 8.030 0.593 18522 3575 1 7 . 1 1 25 25 ILE N N 37 117.739 117.739 125.485 -7.746 18522 3576 1 7 . 1 1 25 25 ILE C C 37 174.340 174.340 175.908 -1.568 18522 3577 1 7 . 1 1 25 25 ILE CA C 37 59.123 59.123 59.669 -0.546 18522 3578 1 7 . 1 1 25 25 ILE CB C 37 41.637 41.637 41.442 0.195 18522 3579 1 7 . 1 1 25 25 ILE H H 37 9.130 9.130 8.632 0.498 18522 3580 1 7 . 1 1 26 26 GLY N N 38 108.069 108.069 112.735 -4.666 18522 3581 1 7 . 1 1 26 26 GLY CA C 38 44.112 44.112 45.497 -1.385 18522 3582 1 7 . 1 1 26 26 GLY H H 38 8.841 8.841 7.768 1.073 18522 3583 1 7 . 1 1 27 27 GLY N N 39 109.016 109.016 106.568 2.448 18522 3584 1 7 . 1 1 27 27 GLY C C 39 173.956 173.956 174.483 -0.527 18522 3585 1 7 . 1 1 27 27 GLY H H 39 8.187 8.187 7.928 0.259 18522 3586 1 7 . 1 1 28 28 GLY N N 40 111.783 111.783 108.681 3.102 18522 3587 1 7 . 1 1 28 28 GLY C C 40 174.255 174.255 174.962 -0.707 18522 3588 1 7 . 1 1 28 28 GLY CA C 40 47.098 47.098 46.747 0.351 18522 3589 1 7 . 1 1 28 28 GLY H H 40 8.275 8.275 7.971 0.304 18522 3590 1 7 . 1 1 29 29 ALA N N 41 123.128 123.128 124.422 -1.294 18522 3591 1 7 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.380 0.179 18522 3592 1 7 . 1 1 29 29 ALA CA C 41 51.073 51.073 50.952 0.121 18522 3593 1 7 . 1 1 29 29 ALA CB C 41 21.926 21.926 17.290 4.636 18522 3594 1 7 . 1 1 29 29 ALA H H 41 8.012 8.012 7.909 0.103 18522 3595 1 7 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.993 -0.444 18522 3596 1 7 . 1 1 31 31 TYR CA C 43 57.147 57.147 56.859 0.288 18522 3597 1 7 . 1 1 31 31 TYR CB C 43 37.495 37.495 39.724 -2.229 18522 3598 1 7 . 1 1 32 32 CYS N N 44 119.332 119.332 120.433 -1.101 18522 3599 1 7 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.565 0.294 18522 3600 1 7 . 1 1 32 32 CYS CA C 44 57.406 57.406 60.496 -3.090 18522 3601 1 7 . 1 1 32 32 CYS CB C 44 27.673 27.673 25.778 1.895 18522 3602 1 7 . 1 1 32 32 CYS H H 44 7.504 7.504 8.280 -0.776 18522 3603 1 7 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.834 -0.421 18522 3604 1 7 . 1 1 33 33 PRO CA C 45 64.885 64.885 62.017 2.868 18522 3605 1 7 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.593 -0.275 18522 3606 1 7 . 1 1 34 34 CYS N N 46 117.327 117.327 116.723 0.604 18522 3607 1 7 . 1 1 34 34 CYS C C 46 172.064 172.064 175.114 -3.050 18522 3608 1 7 . 1 1 34 34 CYS CA C 46 60.066 60.066 57.666 2.400 18522 3609 1 7 . 1 1 34 34 CYS CB C 46 28.715 28.715 31.253 -2.538 18522 3610 1 7 . 1 1 34 34 CYS H H 46 7.973 7.973 8.612 -0.639 18522 3611 1 7 . 1 1 35 35 LEU N N 47 124.270 124.270 115.705 8.565 18522 3612 1 7 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.482 0.446 18522 3613 1 7 . 1 1 35 35 LEU C C 47 175.076 175.076 176.602 -1.526 18522 3614 1 7 . 1 1 35 35 LEU CA C 47 53.278 53.278 56.231 -2.953 18522 3615 1 7 . 1 1 35 35 LEU CB C 47 44.321 44.321 41.211 3.110 18522 3616 1 7 . 1 1 35 35 LEU H H 47 8.629 8.629 8.664 -0.035 18522 3617 1 7 . 1 1 36 36 TYR N N 48 119.326 119.326 115.791 3.535 18522 3618 1 7 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.353 0.902 18522 3619 1 7 . 1 1 36 36 TYR C C 48 175.766 175.766 175.222 0.544 18522 3620 1 7 . 1 1 36 36 TYR CA C 48 56.696 56.696 61.239 -4.543 18522 3621 1 7 . 1 1 36 36 TYR CB C 48 42.590 42.590 37.071 5.519 18522 3622 1 7 . 1 1 36 36 TYR H H 48 8.761 8.761 7.737 1.024 18522 3623 1 7 . 1 1 37 37 ILE N N 49 120.259 120.259 120.459 -0.200 18522 3624 1 7 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.753 -0.538 18522 3625 1 7 . 1 1 37 37 ILE C C 49 177.429 177.429 175.740 1.689 18522 3626 1 7 . 1 1 37 37 ILE CA C 49 62.456 62.456 59.285 3.171 18522 3627 1 7 . 1 1 37 37 ILE CB C 49 37.352 37.352 38.270 -0.918 18522 3628 1 7 . 1 1 37 37 ILE H H 49 8.959 8.959 7.764 1.195 18522 3629 1 7 . 1 1 38 38 VAL HA H 50 3.937 3.937 3.956 -0.019 18522 3630 1 7 . 1 1 38 38 VAL C C 50 174.408 174.408 175.118 -0.710 18522 3631 1 7 . 1 1 38 38 VAL CA C 50 62.259 62.259 63.170 -0.911 18522 3632 1 7 . 1 1 38 38 VAL CB C 50 31.584 31.584 31.816 -0.232 18522 3633 1 7 . 1 1 39 39 GLN N N 51 116.821 116.821 117.733 -0.912 18522 3634 1 7 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.372 -0.269 18522 3635 1 7 . 1 1 39 39 GLN C C 51 172.856 172.856 173.001 -0.145 18522 3636 1 7 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.077 0.050 18522 3637 1 7 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.216 0.160 18522 3638 1 7 . 1 1 39 39 GLN H H 51 6.967 6.967 7.333 -0.366 18522 3639 1 7 . 1 1 40 40 VAL N N 52 123.482 123.482 122.141 1.341 18522 3640 1 7 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.427 -0.150 18522 3641 1 7 . 1 1 40 40 VAL C C 52 176.198 176.198 174.417 1.781 18522 3642 1 7 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.542 2.032 18522 3643 1 7 . 1 1 40 40 VAL CB C 52 32.875 32.875 34.658 -1.783 18522 3644 1 7 . 1 1 40 40 VAL H H 52 8.447 8.447 8.174 0.273 18522 3645 1 7 . 1 1 41 41 PHE N N 53 128.296 128.296 124.504 3.792 18522 3646 1 7 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.766 -0.366 18522 3647 1 7 . 1 1 41 41 PHE C C 53 175.299 175.299 175.318 -0.019 18522 3648 1 7 . 1 1 41 41 PHE CA C 53 58.494 58.494 56.964 1.530 18522 3649 1 7 . 1 1 41 41 PHE CB C 53 39.561 39.561 39.205 0.356 18522 3650 1 7 . 1 1 41 41 PHE H H 53 8.707 8.707 7.881 0.826 18522 3651 1 7 . 1 1 42 42 ASP N N 54 122.696 122.696 115.826 6.870 18522 3652 1 7 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.652 -0.380 18522 3653 1 7 . 1 1 42 42 ASP C C 54 176.837 176.837 176.049 0.788 18522 3654 1 7 . 1 1 42 42 ASP CA C 54 55.291 55.291 54.929 0.362 18522 3655 1 7 . 1 1 42 42 ASP CB C 54 41.093 41.093 42.601 -1.508 18522 3656 1 7 . 1 1 42 42 ASP H H 54 8.901 8.901 8.434 0.467 18522 3657 1 7 . 1 1 43 43 ASN N N 55 113.923 113.923 116.705 -2.782 18522 3658 1 7 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.824 -0.566 18522 3659 1 7 . 1 1 43 43 ASN C C 55 173.714 173.714 174.660 -0.946 18522 3660 1 7 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.615 1.343 18522 3661 1 7 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.445 -2.295 18522 3662 1 7 . 1 1 43 43 ASN H H 55 9.319 9.319 8.278 1.041 18522 3663 1 7 . 1 1 44 44 THR N N 56 108.020 108.020 110.482 -2.462 18522 3664 1 7 . 1 1 44 44 THR HA H 56 5.377 5.377 4.799 0.578 18522 3665 1 7 . 1 1 44 44 THR CA C 56 59.712 59.712 59.349 0.363 18522 3666 1 7 . 1 1 44 44 THR CB C 56 69.529 69.529 69.781 -0.252 18522 3667 1 7 . 1 1 44 44 THR H H 56 7.149 7.149 7.458 -0.309 18522 3668 1 7 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.067 0.237 18522 3669 1 7 . 1 1 45 45 PRO C C 57 180.141 180.141 177.894 2.247 18522 3670 1 7 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.632 0.458 18522 3671 1 7 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.465 1.728 18522 3672 1 7 . 1 1 46 46 ALA N N 58 116.854 116.854 119.393 -2.539 18522 3673 1 7 . 1 1 46 46 ALA HA H 58 4.035 4.035 3.984 0.051 18522 3674 1 7 . 1 1 46 46 ALA C C 58 180.647 180.647 179.349 1.298 18522 3675 1 7 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.149 0.046 18522 3676 1 7 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.033 0.847 18522 3677 1 7 . 1 1 46 46 ALA H H 58 8.938 8.938 7.930 1.008 18522 3678 1 7 . 1 1 47 47 ALA N N 59 123.250 123.250 120.987 2.263 18522 3679 1 7 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.024 0.006 18522 3680 1 7 . 1 1 47 47 ALA C C 59 179.852 179.852 179.768 0.084 18522 3681 1 7 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.592 0.347 18522 3682 1 7 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.737 0.951 18522 3683 1 7 . 1 1 47 47 ALA H H 59 7.658 7.658 7.312 0.346 18522 3684 1 7 . 1 1 48 48 LEU N N 60 118.654 118.654 118.337 0.317 18522 3685 1 7 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.167 -0.141 18522 3686 1 7 . 1 1 48 48 LEU C C 60 179.238 179.238 178.158 1.080 18522 3687 1 7 . 1 1 48 48 LEU CA C 60 57.261 57.261 57.808 -0.547 18522 3688 1 7 . 1 1 48 48 LEU CB C 60 41.445 41.445 41.621 -0.176 18522 3689 1 7 . 1 1 48 48 LEU H H 60 8.636 8.636 8.464 0.172 18522 3690 1 7 . 1 1 49 49 ASP N N 61 117.382 117.382 119.074 -1.692 18522 3691 1 7 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.617 -0.196 18522 3692 1 7 . 1 1 49 49 ASP C C 61 177.668 177.668 177.702 -0.034 18522 3693 1 7 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.591 2.496 18522 3694 1 7 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.698 2.780 18522 3695 1 7 . 1 1 49 49 ASP H H 61 7.665 7.665 7.728 -0.063 18522 3696 1 7 . 1 1 50 50 GLY N N 62 103.228 103.228 109.215 -5.987 18522 3697 1 7 . 1 1 50 50 GLY C C 62 174.776 174.776 174.846 -0.070 18522 3698 1 7 . 1 1 50 50 GLY CA C 62 46.533 46.533 46.040 0.493 18522 3699 1 7 . 1 1 50 50 GLY H H 62 7.216 7.216 8.123 -0.907 18522 3700 1 7 . 1 1 51 51 THR N N 63 117.230 117.230 110.950 6.280 18522 3701 1 7 . 1 1 51 51 THR HA H 63 3.907 3.907 3.722 0.185 18522 3702 1 7 . 1 1 51 51 THR C C 63 175.961 175.961 174.059 1.902 18522 3703 1 7 . 1 1 51 51 THR CA C 63 66.478 66.478 63.229 3.249 18522 3704 1 7 . 1 1 51 51 THR CB C 63 68.268 68.268 66.333 1.935 18522 3705 1 7 . 1 1 51 51 THR H H 63 8.319 8.319 7.671 0.648 18522 3706 1 7 . 1 1 52 52 VAL N N 64 113.826 113.826 112.603 1.223 18522 3707 1 7 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.041 -0.091 18522 3708 1 7 . 1 1 52 52 VAL C C 64 173.883 173.883 174.741 -0.858 18522 3709 1 7 . 1 1 52 52 VAL CA C 64 60.708 60.708 59.966 0.742 18522 3710 1 7 . 1 1 52 52 VAL CB C 64 33.079 33.079 31.530 1.549 18522 3711 1 7 . 1 1 52 52 VAL H H 64 8.147 8.147 7.224 0.923 18522 3712 1 7 . 1 1 53 53 ALA N N 65 123.521 123.521 123.753 -0.232 18522 3713 1 7 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.371 0.043 18522 3714 1 7 . 1 1 53 53 ALA C C 65 175.247 175.247 176.656 -1.409 18522 3715 1 7 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.711 -0.271 18522 3716 1 7 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.204 3.062 18522 3717 1 7 . 1 1 53 53 ALA H H 65 8.633 8.633 7.508 1.125 18522 3718 1 7 . 1 1 54 54 ALA N N 66 120.818 120.818 122.428 -1.610 18522 3719 1 7 . 1 1 54 54 ALA HA H 66 3.720 3.720 3.745 -0.025 18522 3720 1 7 . 1 1 54 54 ALA C C 66 178.411 178.411 178.509 -0.098 18522 3721 1 7 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.141 -0.125 18522 3722 1 7 . 1 1 54 54 ALA CB C 66 17.840 17.840 18.382 -0.542 18522 3723 1 7 . 1 1 54 54 ALA H H 66 8.451 8.451 8.269 0.182 18522 3724 1 7 . 1 1 55 55 GLY N N 67 112.260 112.260 112.634 -0.374 18522 3725 1 7 . 1 1 55 55 GLY C C 67 173.296 173.296 173.908 -0.612 18522 3726 1 7 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.633 0.392 18522 3727 1 7 . 1 1 55 55 GLY H H 67 9.600 9.600 8.641 0.959 18522 3728 1 7 . 1 1 56 56 ASP N N 68 121.293 121.293 120.615 0.678 18522 3729 1 7 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.720 0.141 18522 3730 1 7 . 1 1 56 56 ASP C C 68 174.937 174.937 174.469 0.468 18522 3731 1 7 . 1 1 56 56 ASP CA C 68 55.641 55.641 53.713 1.928 18522 3732 1 7 . 1 1 56 56 ASP CB C 68 40.696 40.696 43.060 -2.364 18522 3733 1 7 . 1 1 56 56 ASP H H 68 8.043 8.043 7.562 0.481 18522 3734 1 7 . 1 1 57 57 GLU N N 69 122.814 122.814 121.246 1.568 18522 3735 1 7 . 1 1 57 57 GLU C C 69 177.202 177.202 176.139 1.063 18522 3736 1 7 . 1 1 57 57 GLU CA C 69 54.472 54.472 54.405 0.067 18522 3737 1 7 . 1 1 57 57 GLU CB C 69 32.800 32.800 30.024 2.776 18522 3738 1 7 . 1 1 57 57 GLU H H 69 8.455 8.455 8.155 0.300 18522 3739 1 7 . 1 1 58 58 ILE N N 70 125.862 125.862 127.400 -1.538 18522 3740 1 7 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.461 0.065 18522 3741 1 7 . 1 1 58 58 ILE C C 70 175.035 175.035 176.206 -1.171 18522 3742 1 7 . 1 1 58 58 ILE CA C 70 60.918 60.918 60.656 0.263 18522 3743 1 7 . 1 1 58 58 ILE CB C 70 39.236 39.236 35.529 3.707 18522 3744 1 7 . 1 1 58 58 ILE H H 70 8.619 8.619 9.121 -0.502 18522 3745 1 7 . 1 1 59 59 THR N N 71 115.507 115.507 121.255 -5.748 18522 3746 1 7 . 1 1 59 59 THR HA H 71 4.513 4.513 4.340 0.173 18522 3747 1 7 . 1 1 59 59 THR C C 71 176.425 176.425 173.580 2.845 18522 3748 1 7 . 1 1 59 59 THR CA C 71 61.158 61.158 62.117 -0.959 18522 3749 1 7 . 1 1 59 59 THR CB C 71 69.604 69.604 70.294 -0.690 18522 3750 1 7 . 1 1 59 59 THR H H 71 9.242 9.242 8.805 0.437 18522 3751 1 7 . 1 1 60 60 GLY N N 72 111.789 111.789 108.290 3.499 18522 3752 1 7 . 1 1 60 60 GLY C C 72 170.981 170.981 171.369 -0.388 18522 3753 1 7 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.191 1.363 18522 3754 1 7 . 1 1 60 60 GLY H H 72 7.883 7.883 7.527 0.356 18522 3755 1 7 . 1 1 61 61 VAL N N 73 119.277 119.277 123.070 -3.793 18522 3756 1 7 . 1 1 61 61 VAL C C 73 175.951 175.951 175.396 0.555 18522 3757 1 7 . 1 1 61 61 VAL CA C 73 60.982 60.982 60.154 0.828 18522 3758 1 7 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.244 1.953 18522 3759 1 7 . 1 1 61 61 VAL H H 73 8.424 8.424 8.773 -0.349 18522 3760 1 7 . 1 1 62 62 ASN N N 74 127.731 127.731 127.506 0.225 18522 3761 1 7 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.413 0.107 18522 3762 1 7 . 1 1 62 62 ASN C C 74 174.878 174.878 174.640 0.238 18522 3763 1 7 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.098 0.320 18522 3764 1 7 . 1 1 62 62 ASN CB C 74 36.655 36.655 37.412 -0.757 18522 3765 1 7 . 1 1 62 62 ASN H H 74 10.384 10.384 8.929 1.455 18522 3766 1 7 . 1 1 63 63 GLY N N 75 104.633 104.633 102.034 2.599 18522 3767 1 7 . 1 1 63 63 GLY C C 75 173.610 173.610 173.314 0.296 18522 3768 1 7 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.901 0.360 18522 3769 1 7 . 1 1 63 63 GLY H H 75 8.926 8.926 7.966 0.960 18522 3770 1 7 . 1 1 64 64 ARG N N 76 120.451 120.451 120.074 0.377 18522 3771 1 7 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.663 -0.162 18522 3772 1 7 . 1 1 64 64 ARG C C 76 175.085 175.085 175.550 -0.465 18522 3773 1 7 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.006 0.246 18522 3774 1 7 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.926 -0.444 18522 3775 1 7 . 1 1 64 64 ARG H H 76 7.753 7.753 7.726 0.027 18522 3776 1 7 . 1 1 65 65 SER N N 77 116.586 116.586 117.080 -0.494 18522 3777 1 7 . 1 1 65 65 SER HA H 77 4.483 4.483 4.465 0.018 18522 3778 1 7 . 1 1 65 65 SER C C 77 176.953 176.953 175.822 1.131 18522 3779 1 7 . 1 1 65 65 SER CA C 77 58.292 58.292 58.561 -0.269 18522 3780 1 7 . 1 1 65 65 SER CB C 77 63.643 63.643 63.727 -0.084 18522 3781 1 7 . 1 1 65 65 SER H H 77 8.555 8.555 8.711 -0.157 18522 3782 1 7 . 1 1 66 66 ILE N N 78 116.618 116.618 120.111 -3.493 18522 3783 1 7 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.075 0.345 18522 3784 1 7 . 1 1 66 66 ILE C C 78 175.072 175.072 176.134 -1.062 18522 3785 1 7 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.508 -2.386 18522 3786 1 7 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.571 -0.813 18522 3787 1 7 . 1 1 66 66 ILE H H 78 7.599 7.599 7.659 -0.060 18522 3788 1 7 . 1 1 67 67 LYS N N 79 123.287 123.287 122.972 0.315 18522 3789 1 7 . 1 1 67 67 LYS HA H 79 4.049 4.049 3.952 0.097 18522 3790 1 7 . 1 1 67 67 LYS C C 79 178.333 178.333 176.740 1.593 18522 3791 1 7 . 1 1 67 67 LYS CA C 79 58.321 58.321 57.898 0.423 18522 3792 1 7 . 1 1 67 67 LYS CB C 79 31.635 31.635 31.299 0.336 18522 3793 1 7 . 1 1 67 67 LYS H H 79 7.898 7.898 7.478 0.420 18522 3794 1 7 . 1 1 68 68 GLY N N 80 114.933 114.933 113.498 1.435 18522 3795 1 7 . 1 1 68 68 GLY C C 80 174.385 174.385 174.115 0.270 18522 3796 1 7 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.105 0.414 18522 3797 1 7 . 1 1 68 68 GLY H H 80 8.999 8.999 8.068 0.931 18522 3798 1 7 . 1 1 69 69 LYS N N 81 119.403 119.403 120.242 -0.839 18522 3799 1 7 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.764 -0.721 18522 3800 1 7 . 1 1 69 69 LYS C C 81 177.064 177.064 175.172 1.892 18522 3801 1 7 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.227 -0.505 18522 3802 1 7 . 1 1 69 69 LYS CB C 81 33.560 33.560 34.474 -0.914 18522 3803 1 7 . 1 1 69 69 LYS H H 81 7.845 7.845 8.183 -0.338 18522 3804 1 7 . 1 1 70 70 THR N N 82 112.066 112.066 114.207 -2.141 18522 3805 1 7 . 1 1 70 70 THR HA H 82 4.666 4.666 4.769 -0.103 18522 3806 1 7 . 1 1 70 70 THR C C 82 175.955 175.955 174.891 1.064 18522 3807 1 7 . 1 1 70 70 THR CA C 82 60.438 60.438 60.208 0.230 18522 3808 1 7 . 1 1 70 70 THR CB C 82 71.629 71.629 72.786 -1.157 18522 3809 1 7 . 1 1 70 70 THR H H 82 9.153 9.153 8.103 1.050 18522 3810 1 7 . 1 1 71 71 LYS N N 83 118.730 118.730 122.857 -4.127 18522 3811 1 7 . 1 1 71 71 LYS HA H 83 3.870 3.870 4.017 -0.147 18522 3812 1 7 . 1 1 71 71 LYS C C 83 177.464 177.464 178.641 -1.177 18522 3813 1 7 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.533 0.824 18522 3814 1 7 . 1 1 71 71 LYS CB C 83 31.350 31.350 32.129 -0.779 18522 3815 1 7 . 1 1 71 71 LYS H H 83 8.969 8.969 8.771 0.198 18522 3816 1 7 . 1 1 72 72 VAL N N 84 117.444 117.444 118.736 -1.292 18522 3817 1 7 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.760 -0.127 18522 3818 1 7 . 1 1 72 72 VAL C C 84 178.315 178.315 177.431 0.884 18522 3819 1 7 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.650 0.429 18522 3820 1 7 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.469 0.622 18522 3821 1 7 . 1 1 72 72 VAL H H 84 7.631 7.631 8.200 -0.569 18522 3822 1 7 . 1 1 73 73 GLU N N 85 120.890 120.890 118.895 1.995 18522 3823 1 7 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.136 -0.172 18522 3824 1 7 . 1 1 73 73 GLU C C 85 179.971 179.971 178.954 1.017 18522 3825 1 7 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.435 -0.119 18522 3826 1 7 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.519 0.836 18522 3827 1 7 . 1 1 73 73 GLU H H 85 7.617 7.617 7.490 0.127 18522 3828 1 7 . 1 1 74 74 VAL N N 86 121.246 121.246 118.410 2.836 18522 3829 1 7 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.967 -0.337 18522 3830 1 7 . 1 1 74 74 VAL C C 86 177.217 177.217 178.047 -0.830 18522 3831 1 7 . 1 1 74 74 VAL CA C 86 66.678 66.678 64.851 1.827 18522 3832 1 7 . 1 1 74 74 VAL CB C 86 31.307 31.307 30.618 0.689 18522 3833 1 7 . 1 1 74 74 VAL H H 86 8.368 8.368 8.379 -0.011 18522 3834 1 7 . 1 1 75 75 ALA N N 87 122.148 122.148 123.398 -1.250 18522 3835 1 7 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.902 0.045 18522 3836 1 7 . 1 1 75 75 ALA C C 87 179.545 179.545 179.327 0.218 18522 3837 1 7 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.525 0.326 18522 3838 1 7 . 1 1 75 75 ALA CB C 87 18.491 18.491 18.021 0.470 18522 3839 1 7 . 1 1 75 75 ALA H H 87 8.577 8.577 8.485 0.092 18522 3840 1 7 . 1 1 76 76 LYS N N 88 117.733 117.733 119.462 -1.729 18522 3841 1 7 . 1 1 76 76 LYS HA H 88 4.051 4.051 4.008 0.043 18522 3842 1 7 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.128 0.265 18522 3843 1 7 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.362 -0.304 18522 3844 1 7 . 1 1 76 76 LYS H H 88 7.854 7.854 7.440 0.414 18522 3845 1 7 . 1 1 77 77 MET N N 89 117.676 117.676 118.067 -0.391 18522 3846 1 7 . 1 1 77 77 MET HA H 89 4.048 4.048 4.088 -0.040 18522 3847 1 7 . 1 1 77 77 MET C C 89 178.791 178.791 178.741 0.050 18522 3848 1 7 . 1 1 77 77 MET CA C 89 59.128 59.128 59.352 -0.224 18522 3849 1 7 . 1 1 77 77 MET CB C 89 33.801 33.801 32.592 1.209 18522 3850 1 7 . 1 1 77 77 MET H H 89 7.759 7.759 8.132 -0.373 18522 3851 1 7 . 1 1 78 78 ILE N N 90 117.305 117.305 118.732 -1.427 18522 3852 1 7 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.799 -0.209 18522 3853 1 7 . 1 1 78 78 ILE C C 90 178.658 178.658 178.294 0.364 18522 3854 1 7 . 1 1 78 78 ILE CA C 90 65.482 65.482 63.156 2.326 18522 3855 1 7 . 1 1 78 78 ILE CB C 90 38.845 38.845 36.825 2.020 18522 3856 1 7 . 1 1 78 78 ILE H H 90 7.972 7.972 8.210 -0.238 18522 3857 1 7 . 1 1 79 79 GLN N N 91 120.935 120.935 119.154 1.781 18522 3858 1 7 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.165 -0.167 18522 3859 1 7 . 1 1 79 79 GLN C C 91 178.274 178.274 178.738 -0.464 18522 3860 1 7 . 1 1 79 79 GLN CA C 91 59.151 59.151 58.445 0.706 18522 3861 1 7 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.925 0.009 18522 3862 1 7 . 1 1 79 79 GLN H H 91 8.826 8.826 8.237 0.589 18522 3863 1 7 . 1 1 80 80 GLU N N 92 115.213 115.213 121.876 -6.663 18522 3864 1 7 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.052 0.009 18522 3865 1 7 . 1 1 80 80 GLU C C 92 176.824 176.824 178.127 -1.303 18522 3866 1 7 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.513 -1.507 18522 3867 1 7 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.561 0.329 18522 3868 1 7 . 1 1 80 80 GLU H H 92 8.020 8.020 8.194 -0.174 18522 3869 1 7 . 1 1 81 81 VAL N N 93 119.047 119.047 115.852 3.195 18522 3870 1 7 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.714 0.216 18522 3871 1 7 . 1 1 81 81 VAL C C 93 176.016 176.016 176.508 -0.492 18522 3872 1 7 . 1 1 81 81 VAL CA C 93 63.153 63.153 64.475 -1.322 18522 3873 1 7 . 1 1 81 81 VAL CB C 93 32.154 32.154 32.008 0.146 18522 3874 1 7 . 1 1 81 81 VAL H H 93 7.073 7.073 7.526 -0.453 18522 3875 1 7 . 1 1 82 82 LYS N N 94 128.366 128.366 119.219 9.147 18522 3876 1 7 . 1 1 82 82 LYS C C 94 177.460 177.460 176.219 1.241 18522 3877 1 7 . 1 1 82 82 LYS CA C 94 55.753 55.753 56.593 -0.840 18522 3878 1 7 . 1 1 82 82 LYS CB C 94 32.332 32.332 30.491 1.841 18522 3879 1 7 . 1 1 82 82 LYS H H 94 8.762 8.762 7.804 0.958 18522 3880 1 7 . 1 1 83 83 GLY N N 95 112.528 112.528 107.838 4.690 18522 3881 1 7 . 1 1 83 83 GLY C C 95 173.468 173.468 173.641 -0.173 18522 3882 1 7 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.005 1.238 18522 3883 1 7 . 1 1 83 83 GLY H H 95 8.673 8.673 8.569 0.104 18522 3884 1 7 . 1 1 84 84 GLU N N 96 121.485 121.485 120.176 1.309 18522 3885 1 7 . 1 1 84 84 GLU HA H 96 4.749 4.749 4.844 -0.095 18522 3886 1 7 . 1 1 84 84 GLU C C 96 174.583 174.583 174.519 0.064 18522 3887 1 7 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.948 0.873 18522 3888 1 7 . 1 1 84 84 GLU CB C 96 31.410 31.410 32.886 -1.476 18522 3889 1 7 . 1 1 84 84 GLU H H 96 8.297 8.297 7.937 0.360 18522 3890 1 7 . 1 1 85 85 VAL N N 97 120.501 120.501 117.860 2.641 18522 3891 1 7 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.359 0.306 18522 3892 1 7 . 1 1 85 85 VAL C C 97 173.047 173.047 174.054 -1.007 18522 3893 1 7 . 1 1 85 85 VAL CA C 97 60.114 60.114 61.257 -1.143 18522 3894 1 7 . 1 1 85 85 VAL CB C 97 35.184 35.184 36.244 -1.060 18522 3895 1 7 . 1 1 85 85 VAL H H 97 9.096 9.096 8.209 0.887 18522 3896 1 7 . 1 1 86 86 THR N N 98 125.019 125.019 123.392 1.627 18522 3897 1 7 . 1 1 86 86 THR HA H 98 4.076 4.076 5.216 -1.140 18522 3898 1 7 . 1 1 86 86 THR C C 98 173.807 173.807 172.912 0.895 18522 3899 1 7 . 1 1 86 86 THR CA C 98 61.735 61.735 61.322 0.413 18522 3900 1 7 . 1 1 86 86 THR CB C 98 69.531 69.531 71.243 -1.712 18522 3901 1 7 . 1 1 86 86 THR H H 98 9.352 9.352 8.193 1.159 18522 3902 1 7 . 1 1 87 87 ILE N N 99 128.383 128.383 120.619 7.764 18522 3903 1 7 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.941 -0.280 18522 3904 1 7 . 1 1 87 87 ILE C C 99 174.614 174.614 174.018 0.596 18522 3905 1 7 . 1 1 87 87 ILE CA C 99 58.258 58.258 58.960 -0.702 18522 3906 1 7 . 1 1 87 87 ILE CB C 99 38.528 38.528 40.652 -2.124 18522 3907 1 7 . 1 1 87 87 ILE H H 99 9.329 9.329 8.969 0.360 18522 3908 1 7 . 1 1 88 88 HIS N N 100 128.279 128.279 123.710 4.569 18522 3909 1 7 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.283 -0.335 18522 3910 1 7 . 1 1 88 88 HIS C C 100 174.787 174.787 174.803 -0.016 18522 3911 1 7 . 1 1 88 88 HIS CA C 100 54.620 54.620 53.823 0.797 18522 3912 1 7 . 1 1 88 88 HIS H H 100 8.647 8.647 8.476 0.171 18522 3913 1 7 . 1 1 89 89 TYR N N 101 121.320 121.320 121.435 -0.115 18522 3914 1 7 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.671 0.276 18522 3915 1 7 . 1 1 89 89 TYR C C 101 173.769 173.769 173.228 0.541 18522 3916 1 7 . 1 1 89 89 TYR CA C 101 55.669 55.669 55.116 0.553 18522 3917 1 7 . 1 1 89 89 TYR CB C 101 42.195 42.195 41.008 1.187 18522 3918 1 7 . 1 1 89 89 TYR H H 101 8.414 8.414 9.161 -0.747 18522 3919 1 7 . 1 1 90 90 ASN N N 102 116.679 116.679 116.947 -0.268 18522 3920 1 7 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.450 -0.115 18522 3921 1 7 . 1 1 90 90 ASN C C 102 175.406 175.406 174.286 1.120 18522 3922 1 7 . 1 1 90 90 ASN CA C 102 51.961 51.961 52.390 -0.429 18522 3923 1 7 . 1 1 90 90 ASN CB C 102 41.800 41.800 43.150 -1.350 18522 3924 1 7 . 1 1 90 90 ASN H H 102 9.282 9.282 8.808 0.474 18522 3925 1 7 . 1 1 91 91 LYS N N 103 124.129 124.129 119.524 4.605 18522 3926 1 7 . 1 1 91 91 LYS C C 103 176.678 176.678 175.558 1.120 18522 3927 1 7 . 1 1 91 91 LYS CA C 103 55.006 55.006 54.411 0.595 18522 3928 1 7 . 1 1 91 91 LYS H H 103 8.949 8.949 8.579 0.370 18522 3929 1 7 . 1 1 92 92 LEU N N 104 127.043 127.043 116.629 10.414 18522 3930 1 7 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.150 0.275 18522 3931 1 7 . 1 1 92 92 LEU CA C 104 55.060 55.060 55.704 -0.644 18522 3932 1 7 . 1 1 92 92 LEU CB C 104 42.559 42.559 41.237 1.322 18522 3933 1 7 . 1 1 92 92 LEU H H 104 9.150 9.150 8.495 0.655 18522 3934 1 7 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.503 -0.188 18522 3935 1 7 . 1 1 93 93 GLN C C 105 175.070 175.070 174.125 0.945 18522 3936 1 7 . 1 1 93 93 GLN CA C 105 55.490 55.490 55.580 -0.090 18522 3937 1 7 . 1 1 93 93 GLN CB C 105 28.909 28.909 29.771 -0.862 18522 3938 1 7 . 1 1 94 94 ALA N N 106 125.133 125.133 122.356 2.777 18522 3939 1 7 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.483 -0.117 18522 3940 1 7 . 1 1 94 94 ALA C C 106 176.392 176.392 176.068 0.324 18522 3941 1 7 . 1 1 94 94 ALA CA C 106 51.723 51.723 51.508 0.215 18522 3942 1 7 . 1 1 94 94 ALA CB C 106 20.185 20.185 20.316 -0.131 18522 3943 1 7 . 1 1 94 94 ALA H H 106 8.226 8.226 7.858 0.368 18522 3944 1 7 . 1 1 95 95 ASP N N 107 122.013 122.013 119.920 2.093 18522 3945 1 7 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.895 -0.482 18522 3946 1 7 . 1 1 95 95 ASP C C 107 175.019 175.019 174.448 0.571 18522 3947 1 7 . 1 1 95 95 ASP CA C 107 55.642 55.642 52.392 3.250 18522 3948 1 7 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.495 -1.229 18522 3949 1 7 . 1 1 95 95 ASP H H 107 8.429 8.429 7.947 0.482 18522 3950 1 7 . 1 1 96 96 PRO HA H 108 4.207 4.207 4.093 0.114 18522 3951 1 7 . 1 1 96 96 PRO C C 108 178.840 178.840 178.237 0.603 18522 3952 1 7 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.274 -0.878 18522 3953 1 7 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.699 0.482 18522 3954 1 7 . 1 1 97 97 LYS N N 109 117.942 117.942 114.305 3.637 18522 3955 1 7 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.066 0.077 18522 3956 1 7 . 1 1 97 97 LYS C C 109 178.099 178.099 178.749 -0.650 18522 3957 1 7 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.041 -0.874 18522 3958 1 7 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.475 0.174 18522 3959 1 7 . 1 1 97 97 LYS H H 109 8.335 8.335 8.286 0.049 18522 3960 1 7 . 1 1 98 98 GLN N N 110 119.159 119.159 118.892 0.267 18522 3961 1 7 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.338 -0.208 18522 3962 1 7 . 1 1 98 98 GLN C C 110 178.298 178.298 178.386 -0.088 18522 3963 1 7 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.102 0.558 18522 3964 1 7 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.608 0.112 18522 3965 1 7 . 1 1 98 98 GLN H H 110 7.985 7.985 7.861 0.124 18522 3966 1 7 . 1 1 99 99 LEU N N 111 120.490 120.490 122.048 -1.558 18522 3967 1 7 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.146 -0.269 18522 3968 1 7 . 1 1 99 99 LEU C C 111 177.729 177.729 178.277 -0.548 18522 3969 1 7 . 1 1 99 99 LEU CA C 111 57.049 57.049 58.386 -1.337 18522 3970 1 7 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.746 -0.280 18522 3971 1 7 . 1 1 99 99 LEU H H 111 7.994 7.994 8.597 -0.603 18522 3972 1 7 . 1 1 100 100 GLU N N 112 118.251 118.251 118.499 -0.248 18522 3973 1 7 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.166 -0.194 18522 3974 1 7 . 1 1 100 100 GLU C C 112 178.402 178.402 179.178 -0.776 18522 3975 1 7 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.087 -0.030 18522 3976 1 7 . 1 1 100 100 GLU CB C 112 29.732 29.732 28.986 0.746 18522 3977 1 7 . 1 1 100 100 GLU H H 112 7.760 7.760 7.729 0.031 18522 3978 1 7 . 1 1 101 101 VAL N N 113 117.229 117.229 120.356 -3.127 18522 3979 1 7 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.838 -0.076 18522 3980 1 7 . 1 1 101 101 VAL C C 113 178.107 178.107 177.908 0.199 18522 3981 1 7 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.891 -1.100 18522 3982 1 7 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.751 0.398 18522 3983 1 7 . 1 1 101 101 VAL H H 113 7.437 7.437 7.295 0.142 18522 3984 1 7 . 1 1 102 102 LEU N N 114 122.124 122.124 119.644 2.480 18522 3985 1 7 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.148 -0.115 18522 3986 1 7 . 1 1 102 102 LEU C C 114 178.506 178.506 178.266 0.240 18522 3987 1 7 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.715 0.528 18522 3988 1 7 . 1 1 102 102 LEU CB C 114 42.028 42.028 41.874 0.153 18522 3989 1 7 . 1 1 102 102 LEU H H 114 7.765 7.765 7.760 0.005 18522 3990 1 7 . 1 1 103 103 PHE N N 115 115.346 115.346 118.603 -3.257 18522 3991 1 7 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.145 0.079 18522 3992 1 7 . 1 1 103 103 PHE C C 115 175.621 175.621 176.685 -1.064 18522 3993 1 7 . 1 1 103 103 PHE CA C 115 57.537 57.537 60.393 -2.856 18522 3994 1 7 . 1 1 103 103 PHE CB C 115 38.057 38.057 39.695 -1.638 18522 3995 1 7 . 1 1 103 103 PHE H H 115 7.805 7.805 7.809 -0.004 18522 3996 1 7 . 1 1 104 104 GLN N N 116 119.021 119.021 116.095 2.926 18522 3997 1 7 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.325 0.082 18522 3998 1 7 . 1 1 104 104 GLN C C 116 176.402 176.402 175.641 0.761 18522 3999 1 7 . 1 1 104 104 GLN CA C 116 55.521 55.521 55.981 -0.460 18522 4000 1 7 . 1 1 104 104 GLN CB C 116 29.170 29.170 31.851 -2.681 18522 4001 1 7 . 1 1 104 104 GLN H H 116 7.974 7.974 7.650 0.324 18522 4002 1 7 . 1 1 105 105 GLY N N 117 108.868 108.868 109.450 -0.582 18522 4003 1 7 . 1 1 105 105 GLY CA C 117 45.124 45.124 44.926 0.198 18522 4004 1 7 . 1 1 105 105 GLY H H 117 8.195 8.195 8.082 0.113 18522 4005 1 7 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.491 -0.001 18522 4006 1 7 . 1 1 106 106 PRO C C 118 176.001 176.001 176.585 -0.584 18522 4007 1 7 . 1 1 106 106 PRO CA C 118 63.523 63.523 63.002 0.521 18522 4008 1 7 . 1 1 106 106 PRO CB C 118 32.078 32.078 32.511 -0.433 18522 4009 1 7 . 1 1 107 107 GLN N N 119 126.950 126.950 124.198 2.752 18522 4010 1 7 . 1 1 107 107 GLN C C 119 181.211 181.211 175.805 5.406 18522 4011 1 7 . 1 1 107 107 GLN CA C 119 57.416 57.416 55.124 2.292 18522 4012 1 7 . 1 1 107 107 GLN H H 119 8.079 8.079 8.804 -0.725 18522 4013 1 7 . 1 1 111 111 ARG C C 123 174.608 174.608 174.405 0.203 18522 4014 1 7 . 1 1 111 111 ARG CA C 123 55.099 55.099 56.520 -1.421 18522 4015 1 7 . 1 1 112 112 HIS N N 124 122.212 122.212 119.922 2.290 18522 4016 1 7 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.627 0.091 18522 4017 1 7 . 1 1 112 112 HIS C C 124 176.040 176.040 174.326 1.714 18522 4018 1 7 . 1 1 112 112 HIS CA C 124 54.213 54.213 54.969 -0.756 18522 4019 1 7 . 1 1 112 112 HIS CB C 124 31.164 31.164 29.664 1.500 18522 4020 1 7 . 1 1 112 112 HIS H H 124 7.640 7.640 8.296 -0.656 18522 4021 1 7 . 1 1 113 113 TRP C C 125 176.168 176.168 175.943 0.225 18522 4022 1 7 . 1 1 114 114 LEU N N 126 121.893 121.893 119.968 1.925 18522 4023 1 7 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.517 0.352 18522 4024 1 7 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.996 0.155 18522 4025 1 7 . 1 1 114 114 LEU CB C 126 45.144 45.144 44.417 0.727 18522 4026 1 7 . 1 1 114 114 LEU H H 126 8.606 8.606 8.699 -0.093 18522 4027 1 7 . 1 1 115 115 LYS N N 127 125.850 125.850 119.240 6.610 18522 4028 1 7 . 1 1 115 115 LYS HA H 127 4.203 4.203 4.929 -0.726 18522 4029 1 7 . 1 1 115 115 LYS C C 127 175.564 175.564 174.752 0.812 18522 4030 1 7 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.421 1.831 18522 4031 1 7 . 1 1 115 115 LYS CB C 127 33.406 33.406 33.303 0.103 18522 4032 1 7 . 1 1 115 115 LYS H H 127 8.647 8.647 8.422 0.225 18522 4033 1 8 . 1 1 3 3 PRO C C 15 177.225 177.225 176.671 0.554 18522 4034 1 8 . 1 1 3 3 PRO CA C 15 63.508 63.508 63.261 0.246 18522 4035 1 8 . 1 1 3 3 PRO CB C 15 32.090 32.090 30.750 1.340 18522 4036 1 8 . 1 1 4 4 GLY N N 16 108.829 108.829 112.598 -3.769 18522 4037 1 8 . 1 1 4 4 GLY C C 16 173.398 173.398 173.851 -0.453 18522 4038 1 8 . 1 1 4 4 GLY CA C 16 45.128 45.128 45.129 -0.001 18522 4039 1 8 . 1 1 4 4 GLY H H 16 8.489 8.489 8.207 0.282 18522 4040 1 8 . 1 1 5 5 ILE N N 17 121.763 121.763 119.791 1.972 18522 4041 1 8 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.670 -0.116 18522 4042 1 8 . 1 1 5 5 ILE C C 17 174.332 174.332 174.054 0.278 18522 4043 1 8 . 1 1 5 5 ILE CA C 17 58.245 58.245 58.937 -0.692 18522 4044 1 8 . 1 1 5 5 ILE CB C 17 38.762 38.762 38.249 0.513 18522 4045 1 8 . 1 1 5 5 ILE H H 17 8.014 8.014 7.455 0.559 18522 4046 1 8 . 1 1 6 6 PRO C C 18 176.437 176.437 176.221 0.216 18522 4047 1 8 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.524 -1.857 18522 4048 1 8 . 1 1 6 6 PRO CB C 18 32.469 32.469 31.918 0.551 18522 4049 1 8 . 1 1 7 7 VAL N N 19 123.849 123.849 116.814 7.035 18522 4050 1 8 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.584 -0.034 18522 4051 1 8 . 1 1 7 7 VAL C C 19 174.453 174.453 173.589 0.864 18522 4052 1 8 . 1 1 7 7 VAL CA C 19 59.846 59.846 59.050 0.797 18522 4053 1 8 . 1 1 7 7 VAL CB C 19 33.510 33.510 32.012 1.498 18522 4054 1 8 . 1 1 7 7 VAL H H 19 8.754 8.754 7.862 0.892 18522 4055 1 8 . 1 1 8 8 PRO HA H 20 5.338 5.338 5.501 -0.163 18522 4056 1 8 . 1 1 8 8 PRO C C 20 177.585 177.585 176.503 1.082 18522 4057 1 8 . 1 1 8 8 PRO CA C 20 62.406 62.406 61.606 0.800 18522 4058 1 8 . 1 1 8 8 PRO CB C 20 32.891 32.891 32.259 0.632 18522 4059 1 8 . 1 1 9 9 GLY N N 21 108.426 108.426 111.339 -2.913 18522 4060 1 8 . 1 1 9 9 GLY C C 21 171.443 171.443 171.807 -0.364 18522 4061 1 8 . 1 1 9 9 GLY CA C 21 44.581 44.581 44.294 0.287 18522 4062 1 8 . 1 1 9 9 GLY H H 21 8.258 8.258 8.667 -0.409 18522 4063 1 8 . 1 1 10 10 LYS N N 22 117.372 117.372 120.916 -3.544 18522 4064 1 8 . 1 1 10 10 LYS HA H 22 4.039 4.039 4.786 -0.747 18522 4065 1 8 . 1 1 10 10 LYS C C 22 174.463 174.463 174.357 0.106 18522 4066 1 8 . 1 1 10 10 LYS CA C 22 55.263 55.263 54.939 0.324 18522 4067 1 8 . 1 1 10 10 LYS CB C 22 35.227 35.227 34.997 0.230 18522 4068 1 8 . 1 1 10 10 LYS H H 22 8.175 8.175 8.120 0.055 18522 4069 1 8 . 1 1 11 11 VAL N N 23 120.387 120.387 116.544 3.843 18522 4070 1 8 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.569 0.139 18522 4071 1 8 . 1 1 11 11 VAL C C 23 171.873 171.873 174.039 -2.166 18522 4072 1 8 . 1 1 11 11 VAL CA C 23 59.866 59.866 59.826 0.040 18522 4073 1 8 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.081 0.188 18522 4074 1 8 . 1 1 11 11 VAL H H 23 8.862 8.862 8.122 0.740 18522 4075 1 8 . 1 1 12 12 THR N N 24 125.797 125.797 119.516 6.281 18522 4076 1 8 . 1 1 12 12 THR HA H 24 5.121 5.121 4.993 0.128 18522 4077 1 8 . 1 1 12 12 THR C C 24 173.407 173.407 173.380 0.027 18522 4078 1 8 . 1 1 12 12 THR CA C 24 62.115 62.115 59.926 2.189 18522 4079 1 8 . 1 1 12 12 THR CB C 24 69.606 69.606 69.515 0.091 18522 4080 1 8 . 1 1 12 12 THR H H 24 8.859 8.859 8.373 0.486 18522 4081 1 8 . 1 1 13 13 LEU N N 25 127.960 127.960 127.618 0.342 18522 4082 1 8 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.856 -0.047 18522 4083 1 8 . 1 1 13 13 LEU C C 25 175.029 175.029 174.666 0.363 18522 4084 1 8 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.436 0.187 18522 4085 1 8 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.566 0.677 18522 4086 1 8 . 1 1 13 13 LEU H H 25 9.258 9.258 8.391 0.867 18522 4087 1 8 . 1 1 14 14 GLN N N 26 120.858 120.858 117.619 3.239 18522 4088 1 8 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.462 0.020 18522 4089 1 8 . 1 1 14 14 GLN C C 26 174.515 174.515 174.981 -0.466 18522 4090 1 8 . 1 1 14 14 GLN CA C 26 54.576 54.576 53.958 0.618 18522 4091 1 8 . 1 1 14 14 GLN CB C 26 29.516 29.516 32.210 -2.694 18522 4092 1 8 . 1 1 14 14 GLN H H 26 8.530 8.530 8.285 0.245 18522 4093 1 8 . 1 1 15 15 LYS N N 27 119.583 119.583 122.200 -2.617 18522 4094 1 8 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.218 -0.038 18522 4095 1 8 . 1 1 15 15 LYS C C 27 177.468 177.468 177.151 0.317 18522 4096 1 8 . 1 1 15 15 LYS CA C 27 55.956 55.956 57.339 -1.383 18522 4097 1 8 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.619 1.480 18522 4098 1 8 . 1 1 15 15 LYS H H 27 8.099 8.099 8.251 -0.152 18522 4099 1 8 . 1 1 16 16 ASP N N 28 121.439 121.439 122.626 -1.187 18522 4100 1 8 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.665 -0.075 18522 4101 1 8 . 1 1 16 16 ASP C C 28 178.392 178.392 177.945 0.447 18522 4102 1 8 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.713 -1.287 18522 4103 1 8 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.640 -1.263 18522 4104 1 8 . 1 1 16 16 ASP H H 28 8.888 8.888 8.627 0.261 18522 4105 1 8 . 1 1 17 17 ALA N N 29 119.578 119.578 123.673 -4.095 18522 4106 1 8 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.137 0.051 18522 4107 1 8 . 1 1 17 17 ALA C C 29 178.763 178.763 178.346 0.417 18522 4108 1 8 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.400 0.034 18522 4109 1 8 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.586 -0.293 18522 4110 1 8 . 1 1 17 17 ALA H H 29 8.392 8.392 8.608 -0.216 18522 4111 1 8 . 1 1 18 18 GLN N N 30 117.564 117.564 118.300 -0.736 18522 4112 1 8 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.341 0.058 18522 4113 1 8 . 1 1 18 18 GLN C C 30 175.168 175.168 175.398 -0.230 18522 4114 1 8 . 1 1 18 18 GLN CA C 30 55.339 55.339 54.841 0.498 18522 4115 1 8 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.021 -0.432 18522 4116 1 8 . 1 1 18 18 GLN H H 30 8.353 8.353 7.790 0.563 18522 4117 1 8 . 1 1 19 19 ASN N N 31 115.365 115.365 114.969 0.396 18522 4118 1 8 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.363 -0.048 18522 4119 1 8 . 1 1 19 19 ASN C C 31 174.043 174.043 172.688 1.355 18522 4120 1 8 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.564 -0.261 18522 4121 1 8 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.139 0.471 18522 4122 1 8 . 1 1 19 19 ASN H H 31 8.521 8.521 8.307 0.214 18522 4123 1 8 . 1 1 20 20 LEU N N 32 118.660 118.660 111.428 7.232 18522 4124 1 8 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.895 0.005 18522 4125 1 8 . 1 1 20 20 LEU C C 32 178.117 178.117 176.505 1.612 18522 4126 1 8 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.284 0.673 18522 4127 1 8 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.539 1.235 18522 4128 1 8 . 1 1 20 20 LEU H H 32 8.155 8.155 7.316 0.839 18522 4129 1 8 . 1 1 21 21 ILE N N 33 116.785 116.785 117.214 -0.429 18522 4130 1 8 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.332 0.342 18522 4131 1 8 . 1 1 21 21 ILE C C 33 176.185 176.185 176.653 -0.468 18522 4132 1 8 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.862 0.740 18522 4133 1 8 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.048 -0.033 18522 4134 1 8 . 1 1 21 21 ILE H H 33 11.488 11.488 8.423 3.065 18522 4135 1 8 . 1 1 22 22 GLY N N 34 111.234 111.234 108.294 2.940 18522 4136 1 8 . 1 1 22 22 GLY C C 34 173.993 173.993 173.552 0.441 18522 4137 1 8 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.242 0.738 18522 4138 1 8 . 1 1 22 22 GLY H H 34 9.854 9.854 8.346 1.508 18522 4139 1 8 . 1 1 23 23 ILE N N 35 111.117 111.117 113.514 -2.397 18522 4140 1 8 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.384 0.151 18522 4141 1 8 . 1 1 23 23 ILE C C 35 175.033 175.033 173.857 1.176 18522 4142 1 8 . 1 1 23 23 ILE CA C 35 58.415 58.415 58.025 0.390 18522 4143 1 8 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.694 -0.117 18522 4144 1 8 . 1 1 23 23 ILE H H 35 7.835 7.835 8.383 -0.548 18522 4145 1 8 . 1 1 24 24 SER N N 36 114.908 114.908 116.751 -1.843 18522 4146 1 8 . 1 1 24 24 SER HA H 36 4.232 4.232 4.893 -0.661 18522 4147 1 8 . 1 1 24 24 SER C C 36 174.735 174.735 172.528 2.207 18522 4148 1 8 . 1 1 24 24 SER CA C 36 56.121 56.121 57.135 -1.014 18522 4149 1 8 . 1 1 24 24 SER CB C 36 66.097 66.097 65.705 0.392 18522 4150 1 8 . 1 1 24 24 SER H H 36 8.623 8.623 8.439 0.184 18522 4151 1 8 . 1 1 25 25 ILE N N 37 117.739 117.739 125.015 -7.276 18522 4152 1 8 . 1 1 25 25 ILE C C 37 174.340 174.340 175.281 -0.941 18522 4153 1 8 . 1 1 25 25 ILE CA C 37 59.123 59.123 59.163 -0.040 18522 4154 1 8 . 1 1 25 25 ILE CB C 37 41.637 41.637 40.284 1.353 18522 4155 1 8 . 1 1 25 25 ILE H H 37 9.130 9.130 8.673 0.457 18522 4156 1 8 . 1 1 26 26 GLY N N 38 108.069 108.069 113.494 -5.425 18522 4157 1 8 . 1 1 26 26 GLY CA C 38 44.112 44.112 44.123 -0.011 18522 4158 1 8 . 1 1 26 26 GLY H H 38 8.841 8.841 7.897 0.944 18522 4159 1 8 . 1 1 27 27 GLY N N 39 109.016 109.016 106.464 2.552 18522 4160 1 8 . 1 1 27 27 GLY C C 39 173.956 173.956 175.507 -1.551 18522 4161 1 8 . 1 1 27 27 GLY H H 39 8.187 8.187 8.356 -0.169 18522 4162 1 8 . 1 1 28 28 GLY N N 40 111.783 111.783 109.538 2.245 18522 4163 1 8 . 1 1 28 28 GLY C C 40 174.255 174.255 173.946 0.309 18522 4164 1 8 . 1 1 28 28 GLY CA C 40 47.098 47.098 46.626 0.472 18522 4165 1 8 . 1 1 28 28 GLY H H 40 8.275 8.275 8.446 -0.171 18522 4166 1 8 . 1 1 29 29 ALA N N 41 123.128 123.128 120.582 2.546 18522 4167 1 8 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.768 -0.209 18522 4168 1 8 . 1 1 29 29 ALA CA C 41 51.073 51.073 51.025 0.048 18522 4169 1 8 . 1 1 29 29 ALA CB C 41 21.926 21.926 19.941 1.985 18522 4170 1 8 . 1 1 29 29 ALA H H 41 8.012 8.012 7.969 0.043 18522 4171 1 8 . 1 1 31 31 TYR HA H 43 4.549 4.549 5.362 -0.813 18522 4172 1 8 . 1 1 31 31 TYR CA C 43 57.147 57.147 56.332 0.815 18522 4173 1 8 . 1 1 31 31 TYR CB C 43 37.495 37.495 37.982 -0.487 18522 4174 1 8 . 1 1 32 32 CYS N N 44 119.332 119.332 119.301 0.031 18522 4175 1 8 . 1 1 32 32 CYS HA H 44 4.859 4.859 5.089 -0.230 18522 4176 1 8 . 1 1 32 32 CYS CA C 44 57.406 57.406 57.683 -0.277 18522 4177 1 8 . 1 1 32 32 CYS CB C 44 27.673 27.673 28.367 -0.694 18522 4178 1 8 . 1 1 32 32 CYS H H 44 7.504 7.504 8.468 -0.964 18522 4179 1 8 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.430 -0.017 18522 4180 1 8 . 1 1 33 33 PRO CA C 45 64.885 64.885 61.873 3.013 18522 4181 1 8 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.381 -0.063 18522 4182 1 8 . 1 1 34 34 CYS N N 46 117.327 117.327 116.950 0.377 18522 4183 1 8 . 1 1 34 34 CYS C C 46 172.064 172.064 174.390 -2.326 18522 4184 1 8 . 1 1 34 34 CYS CA C 46 60.066 60.066 59.382 0.684 18522 4185 1 8 . 1 1 34 34 CYS CB C 46 28.715 28.715 29.114 -0.399 18522 4186 1 8 . 1 1 34 34 CYS H H 46 7.973 7.973 8.231 -0.258 18522 4187 1 8 . 1 1 35 35 LEU N N 47 124.270 124.270 115.550 8.720 18522 4188 1 8 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.933 -0.005 18522 4189 1 8 . 1 1 35 35 LEU C C 47 175.076 175.076 174.815 0.261 18522 4190 1 8 . 1 1 35 35 LEU CA C 47 53.278 53.278 54.220 -0.942 18522 4191 1 8 . 1 1 35 35 LEU CB C 47 44.321 44.321 43.595 0.726 18522 4192 1 8 . 1 1 35 35 LEU H H 47 8.629 8.629 8.229 0.400 18522 4193 1 8 . 1 1 36 36 TYR N N 48 119.326 119.326 113.614 5.712 18522 4194 1 8 . 1 1 36 36 TYR HA H 48 5.255 5.255 5.301 -0.046 18522 4195 1 8 . 1 1 36 36 TYR C C 48 175.766 175.766 173.463 2.303 18522 4196 1 8 . 1 1 36 36 TYR CA C 48 56.696 56.696 55.737 0.959 18522 4197 1 8 . 1 1 36 36 TYR CB C 48 42.590 42.590 40.794 1.796 18522 4198 1 8 . 1 1 36 36 TYR H H 48 8.761 8.761 7.720 1.041 18522 4199 1 8 . 1 1 37 37 ILE N N 49 120.259 120.259 121.402 -1.143 18522 4200 1 8 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.411 -0.196 18522 4201 1 8 . 1 1 37 37 ILE C C 49 177.429 177.429 175.508 1.921 18522 4202 1 8 . 1 1 37 37 ILE CA C 49 62.456 62.456 59.885 2.571 18522 4203 1 8 . 1 1 37 37 ILE CB C 49 37.352 37.352 38.749 -1.397 18522 4204 1 8 . 1 1 37 37 ILE H H 49 8.959 8.959 8.656 0.303 18522 4205 1 8 . 1 1 38 38 VAL HA H 50 3.937 3.937 4.100 -0.163 18522 4206 1 8 . 1 1 38 38 VAL C C 50 174.408 174.408 175.196 -0.788 18522 4207 1 8 . 1 1 38 38 VAL CA C 50 62.259 62.259 64.612 -2.353 18522 4208 1 8 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.157 -0.573 18522 4209 1 8 . 1 1 39 39 GLN N N 51 116.821 116.821 117.534 -0.713 18522 4210 1 8 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.424 -0.321 18522 4211 1 8 . 1 1 39 39 GLN C C 51 172.856 172.856 173.040 -0.184 18522 4212 1 8 . 1 1 39 39 GLN CA C 51 55.127 55.127 54.883 0.244 18522 4213 1 8 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.380 -0.004 18522 4214 1 8 . 1 1 39 39 GLN H H 51 6.967 6.967 7.422 -0.455 18522 4215 1 8 . 1 1 40 40 VAL N N 52 123.482 123.482 121.556 1.926 18522 4216 1 8 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.611 -0.334 18522 4217 1 8 . 1 1 40 40 VAL C C 52 176.198 176.198 174.477 1.721 18522 4218 1 8 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.537 2.037 18522 4219 1 8 . 1 1 40 40 VAL CB C 52 32.875 32.875 34.625 -1.750 18522 4220 1 8 . 1 1 40 40 VAL H H 52 8.447 8.447 8.110 0.337 18522 4221 1 8 . 1 1 41 41 PHE N N 53 128.296 128.296 124.120 4.176 18522 4222 1 8 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.632 -0.232 18522 4223 1 8 . 1 1 41 41 PHE C C 53 175.299 175.299 175.142 0.157 18522 4224 1 8 . 1 1 41 41 PHE CA C 53 58.494 58.494 58.593 -0.099 18522 4225 1 8 . 1 1 41 41 PHE CB C 53 39.561 39.561 39.584 -0.023 18522 4226 1 8 . 1 1 41 41 PHE H H 53 8.707 8.707 8.232 0.475 18522 4227 1 8 . 1 1 42 42 ASP N N 54 122.696 122.696 115.481 7.215 18522 4228 1 8 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.668 -0.396 18522 4229 1 8 . 1 1 42 42 ASP C C 54 176.837 176.837 175.915 0.922 18522 4230 1 8 . 1 1 42 42 ASP CA C 54 55.291 55.291 54.956 0.335 18522 4231 1 8 . 1 1 42 42 ASP CB C 54 41.093 41.093 42.636 -1.543 18522 4232 1 8 . 1 1 42 42 ASP H H 54 8.901 8.901 8.444 0.457 18522 4233 1 8 . 1 1 43 43 ASN N N 55 113.923 113.923 116.617 -2.694 18522 4234 1 8 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.852 -0.594 18522 4235 1 8 . 1 1 43 43 ASN C C 55 173.714 173.714 174.798 -1.084 18522 4236 1 8 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.502 1.456 18522 4237 1 8 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.499 -2.349 18522 4238 1 8 . 1 1 43 43 ASN H H 55 9.319 9.319 8.302 1.017 18522 4239 1 8 . 1 1 44 44 THR N N 56 108.020 108.020 110.941 -2.921 18522 4240 1 8 . 1 1 44 44 THR HA H 56 5.377 5.377 4.750 0.627 18522 4241 1 8 . 1 1 44 44 THR CA C 56 59.712 59.712 58.984 0.728 18522 4242 1 8 . 1 1 44 44 THR CB C 56 69.529 69.529 69.858 -0.329 18522 4243 1 8 . 1 1 44 44 THR H H 56 7.149 7.149 7.457 -0.308 18522 4244 1 8 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.094 0.210 18522 4245 1 8 . 1 1 45 45 PRO C C 57 180.141 180.141 177.854 2.287 18522 4246 1 8 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.594 0.496 18522 4247 1 8 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.491 1.703 18522 4248 1 8 . 1 1 46 46 ALA N N 58 116.854 116.854 119.281 -2.427 18522 4249 1 8 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.036 -0.001 18522 4250 1 8 . 1 1 46 46 ALA C C 58 180.647 180.647 179.347 1.300 18522 4251 1 8 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.144 0.051 18522 4252 1 8 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.174 0.706 18522 4253 1 8 . 1 1 46 46 ALA H H 58 8.938 8.938 7.814 1.124 18522 4254 1 8 . 1 1 47 47 ALA N N 59 123.250 123.250 120.692 2.558 18522 4255 1 8 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.096 -0.066 18522 4256 1 8 . 1 1 47 47 ALA C C 59 179.852 179.852 179.815 0.037 18522 4257 1 8 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.573 0.366 18522 4258 1 8 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.850 0.838 18522 4259 1 8 . 1 1 47 47 ALA H H 59 7.658 7.658 7.395 0.263 18522 4260 1 8 . 1 1 48 48 LEU N N 60 118.654 118.654 118.763 -0.109 18522 4261 1 8 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.186 -0.160 18522 4262 1 8 . 1 1 48 48 LEU C C 60 179.238 179.238 178.153 1.085 18522 4263 1 8 . 1 1 48 48 LEU CA C 60 57.261 57.261 57.870 -0.609 18522 4264 1 8 . 1 1 48 48 LEU CB C 60 41.445 41.445 41.625 -0.180 18522 4265 1 8 . 1 1 48 48 LEU H H 60 8.636 8.636 8.480 0.156 18522 4266 1 8 . 1 1 49 49 ASP N N 61 117.382 117.382 118.645 -1.263 18522 4267 1 8 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.621 -0.200 18522 4268 1 8 . 1 1 49 49 ASP C C 61 177.668 177.668 177.470 0.198 18522 4269 1 8 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.465 2.623 18522 4270 1 8 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.755 2.723 18522 4271 1 8 . 1 1 49 49 ASP H H 61 7.665 7.665 7.713 -0.048 18522 4272 1 8 . 1 1 50 50 GLY N N 62 103.228 103.228 107.926 -4.698 18522 4273 1 8 . 1 1 50 50 GLY C C 62 174.776 174.776 175.092 -0.316 18522 4274 1 8 . 1 1 50 50 GLY CA C 62 46.533 46.533 46.075 0.458 18522 4275 1 8 . 1 1 50 50 GLY H H 62 7.216 7.216 7.989 -0.773 18522 4276 1 8 . 1 1 51 51 THR N N 63 117.230 117.230 110.537 6.693 18522 4277 1 8 . 1 1 51 51 THR HA H 63 3.907 3.907 3.783 0.124 18522 4278 1 8 . 1 1 51 51 THR C C 63 175.961 175.961 175.062 0.899 18522 4279 1 8 . 1 1 51 51 THR CA C 63 66.478 66.478 63.546 2.932 18522 4280 1 8 . 1 1 51 51 THR CB C 63 68.268 68.268 67.103 1.165 18522 4281 1 8 . 1 1 51 51 THR H H 63 8.319 8.319 7.788 0.531 18522 4282 1 8 . 1 1 52 52 VAL N N 64 113.826 113.826 116.533 -2.707 18522 4283 1 8 . 1 1 52 52 VAL HA H 64 3.950 3.950 3.966 -0.016 18522 4284 1 8 . 1 1 52 52 VAL C C 64 173.883 173.883 174.765 -0.882 18522 4285 1 8 . 1 1 52 52 VAL CA C 64 60.708 60.708 60.415 0.293 18522 4286 1 8 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.030 3.049 18522 4287 1 8 . 1 1 52 52 VAL H H 64 8.147 8.147 7.297 0.850 18522 4288 1 8 . 1 1 53 53 ALA N N 65 123.521 123.521 124.213 -0.692 18522 4289 1 8 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.452 -0.038 18522 4290 1 8 . 1 1 53 53 ALA C C 65 175.247 175.247 177.002 -1.755 18522 4291 1 8 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.518 -0.078 18522 4292 1 8 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.452 2.814 18522 4293 1 8 . 1 1 53 53 ALA H H 65 8.633 8.633 7.327 1.306 18522 4294 1 8 . 1 1 54 54 ALA N N 66 120.818 120.818 122.811 -1.993 18522 4295 1 8 . 1 1 54 54 ALA HA H 66 3.720 3.720 4.014 -0.294 18522 4296 1 8 . 1 1 54 54 ALA C C 66 178.411 178.411 178.536 -0.125 18522 4297 1 8 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.285 -0.270 18522 4298 1 8 . 1 1 54 54 ALA CB C 66 17.840 17.840 18.309 -0.469 18522 4299 1 8 . 1 1 54 54 ALA H H 66 8.451 8.451 8.399 0.052 18522 4300 1 8 . 1 1 55 55 GLY N N 67 112.260 112.260 113.677 -1.417 18522 4301 1 8 . 1 1 55 55 GLY C C 67 173.296 173.296 174.508 -1.212 18522 4302 1 8 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.645 0.380 18522 4303 1 8 . 1 1 55 55 GLY H H 67 9.600 9.600 8.937 0.663 18522 4304 1 8 . 1 1 56 56 ASP N N 68 121.293 121.293 122.649 -1.356 18522 4305 1 8 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.777 0.084 18522 4306 1 8 . 1 1 56 56 ASP C C 68 174.937 174.937 174.325 0.612 18522 4307 1 8 . 1 1 56 56 ASP CA C 68 55.641 55.641 54.859 0.782 18522 4308 1 8 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.878 -2.182 18522 4309 1 8 . 1 1 56 56 ASP H H 68 8.043 8.043 7.664 0.379 18522 4310 1 8 . 1 1 57 57 GLU N N 69 122.814 122.814 121.442 1.372 18522 4311 1 8 . 1 1 57 57 GLU C C 69 177.202 177.202 174.891 2.311 18522 4312 1 8 . 1 1 57 57 GLU CA C 69 54.472 54.472 55.016 -0.544 18522 4313 1 8 . 1 1 57 57 GLU CB C 69 32.800 32.800 31.685 1.115 18522 4314 1 8 . 1 1 57 57 GLU H H 69 8.455 8.455 8.232 0.223 18522 4315 1 8 . 1 1 58 58 ILE N N 70 125.862 125.862 127.972 -2.110 18522 4316 1 8 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.634 -0.108 18522 4317 1 8 . 1 1 58 58 ILE C C 70 175.035 175.035 175.690 -0.655 18522 4318 1 8 . 1 1 58 58 ILE CA C 70 60.918 60.918 60.095 0.823 18522 4319 1 8 . 1 1 58 58 ILE CB C 70 39.236 39.236 36.692 2.544 18522 4320 1 8 . 1 1 58 58 ILE H H 70 8.619 8.619 8.295 0.324 18522 4321 1 8 . 1 1 59 59 THR N N 71 115.507 115.507 119.561 -4.054 18522 4322 1 8 . 1 1 59 59 THR HA H 71 4.513 4.513 4.859 -0.346 18522 4323 1 8 . 1 1 59 59 THR C C 71 176.425 176.425 174.566 1.859 18522 4324 1 8 . 1 1 59 59 THR CA C 71 61.158 61.158 62.171 -1.013 18522 4325 1 8 . 1 1 59 59 THR CB C 71 69.604 69.604 70.101 -0.497 18522 4326 1 8 . 1 1 59 59 THR H H 71 9.242 9.242 8.732 0.510 18522 4327 1 8 . 1 1 60 60 GLY N N 72 111.789 111.789 108.504 3.285 18522 4328 1 8 . 1 1 60 60 GLY C C 72 170.981 170.981 171.709 -0.728 18522 4329 1 8 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.335 1.219 18522 4330 1 8 . 1 1 60 60 GLY H H 72 7.883 7.883 7.499 0.384 18522 4331 1 8 . 1 1 61 61 VAL N N 73 119.277 119.277 120.040 -0.763 18522 4332 1 8 . 1 1 61 61 VAL C C 73 175.951 175.951 175.705 0.246 18522 4333 1 8 . 1 1 61 61 VAL CA C 73 60.982 60.982 59.636 1.346 18522 4334 1 8 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.094 2.103 18522 4335 1 8 . 1 1 61 61 VAL H H 73 8.424 8.424 8.742 -0.318 18522 4336 1 8 . 1 1 62 62 ASN N N 74 127.731 127.731 126.689 1.042 18522 4337 1 8 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.522 -0.002 18522 4338 1 8 . 1 1 62 62 ASN C C 74 174.878 174.878 175.393 -0.515 18522 4339 1 8 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.965 -0.547 18522 4340 1 8 . 1 1 62 62 ASN CB C 74 36.655 36.655 37.562 -0.907 18522 4341 1 8 . 1 1 62 62 ASN H H 74 10.384 10.384 9.228 1.156 18522 4342 1 8 . 1 1 63 63 GLY N N 75 104.633 104.633 101.918 2.715 18522 4343 1 8 . 1 1 63 63 GLY C C 75 173.610 173.610 173.579 0.031 18522 4344 1 8 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.917 0.344 18522 4345 1 8 . 1 1 63 63 GLY H H 75 8.926 8.926 7.709 1.217 18522 4346 1 8 . 1 1 64 64 ARG N N 76 120.451 120.451 122.243 -1.792 18522 4347 1 8 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.644 -0.143 18522 4348 1 8 . 1 1 64 64 ARG C C 76 175.085 175.085 175.619 -0.534 18522 4349 1 8 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.424 -0.172 18522 4350 1 8 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.166 0.316 18522 4351 1 8 . 1 1 64 64 ARG H H 76 7.753 7.753 8.014 -0.261 18522 4352 1 8 . 1 1 65 65 SER N N 77 116.586 116.586 120.931 -4.345 18522 4353 1 8 . 1 1 65 65 SER HA H 77 4.483 4.483 4.612 -0.129 18522 4354 1 8 . 1 1 65 65 SER C C 77 176.953 176.953 175.893 1.060 18522 4355 1 8 . 1 1 65 65 SER CA C 77 58.292 58.292 58.935 -0.643 18522 4356 1 8 . 1 1 65 65 SER CB C 77 63.643 63.643 63.878 -0.235 18522 4357 1 8 . 1 1 65 65 SER H H 77 8.555 8.555 9.021 -0.466 18522 4358 1 8 . 1 1 66 66 ILE N N 78 116.618 116.618 121.123 -4.505 18522 4359 1 8 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.209 0.211 18522 4360 1 8 . 1 1 66 66 ILE C C 78 175.072 175.072 177.333 -2.261 18522 4361 1 8 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.394 -2.272 18522 4362 1 8 . 1 1 66 66 ILE CB C 78 36.758 36.758 36.748 0.010 18522 4363 1 8 . 1 1 66 66 ILE H H 78 7.599 7.599 8.315 -0.716 18522 4364 1 8 . 1 1 67 67 LYS N N 79 123.287 123.287 122.140 1.147 18522 4365 1 8 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.069 -0.020 18522 4366 1 8 . 1 1 67 67 LYS C C 79 178.333 178.333 177.809 0.524 18522 4367 1 8 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.549 -0.228 18522 4368 1 8 . 1 1 67 67 LYS CB C 79 31.635 31.635 32.061 -0.426 18522 4369 1 8 . 1 1 67 67 LYS H H 79 7.898 7.898 8.346 -0.448 18522 4370 1 8 . 1 1 68 68 GLY N N 80 114.933 114.933 106.494 8.439 18522 4371 1 8 . 1 1 68 68 GLY C C 80 174.385 174.385 174.455 -0.070 18522 4372 1 8 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.309 0.209 18522 4373 1 8 . 1 1 68 68 GLY H H 80 8.999 8.999 8.223 0.776 18522 4374 1 8 . 1 1 69 69 LYS N N 81 119.403 119.403 119.316 0.087 18522 4375 1 8 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.621 -0.578 18522 4376 1 8 . 1 1 69 69 LYS C C 81 177.064 177.064 174.756 2.308 18522 4377 1 8 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.199 -0.477 18522 4378 1 8 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.522 0.038 18522 4379 1 8 . 1 1 69 69 LYS H H 81 7.845 7.845 7.896 -0.051 18522 4380 1 8 . 1 1 70 70 THR N N 82 112.066 112.066 109.582 2.484 18522 4381 1 8 . 1 1 70 70 THR HA H 82 4.666 4.666 4.717 -0.051 18522 4382 1 8 . 1 1 70 70 THR C C 82 175.955 175.955 175.375 0.580 18522 4383 1 8 . 1 1 70 70 THR CA C 82 60.438 60.438 60.196 0.242 18522 4384 1 8 . 1 1 70 70 THR CB C 82 71.629 71.629 72.480 -0.851 18522 4385 1 8 . 1 1 70 70 THR H H 82 9.153 9.153 7.822 1.331 18522 4386 1 8 . 1 1 71 71 LYS N N 83 118.730 118.730 123.181 -4.451 18522 4387 1 8 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.946 -0.076 18522 4388 1 8 . 1 1 71 71 LYS C C 83 177.464 177.464 178.382 -0.918 18522 4389 1 8 . 1 1 71 71 LYS CA C 83 60.357 60.357 60.089 0.268 18522 4390 1 8 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.606 -0.256 18522 4391 1 8 . 1 1 71 71 LYS H H 83 8.969 8.969 8.793 0.176 18522 4392 1 8 . 1 1 72 72 VAL N N 84 117.444 117.444 118.752 -1.308 18522 4393 1 8 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.670 -0.037 18522 4394 1 8 . 1 1 72 72 VAL C C 84 178.315 178.315 177.557 0.758 18522 4395 1 8 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.979 0.100 18522 4396 1 8 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.678 0.413 18522 4397 1 8 . 1 1 72 72 VAL H H 84 7.631 7.631 8.358 -0.727 18522 4398 1 8 . 1 1 73 73 GLU N N 85 120.890 120.890 119.058 1.832 18522 4399 1 8 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.082 -0.118 18522 4400 1 8 . 1 1 73 73 GLU C C 85 179.971 179.971 178.886 1.085 18522 4401 1 8 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.454 -0.138 18522 4402 1 8 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.664 0.691 18522 4403 1 8 . 1 1 73 73 GLU H H 85 7.617 7.617 7.802 -0.185 18522 4404 1 8 . 1 1 74 74 VAL N N 86 121.246 121.246 117.539 3.707 18522 4405 1 8 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.794 -0.164 18522 4406 1 8 . 1 1 74 74 VAL C C 86 177.217 177.217 177.739 -0.522 18522 4407 1 8 . 1 1 74 74 VAL CA C 86 66.678 66.678 66.168 0.510 18522 4408 1 8 . 1 1 74 74 VAL CB C 86 31.307 31.307 31.384 -0.077 18522 4409 1 8 . 1 1 74 74 VAL H H 86 8.368 8.368 8.345 0.023 18522 4410 1 8 . 1 1 75 75 ALA N N 87 122.148 122.148 122.776 -0.628 18522 4411 1 8 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.942 0.005 18522 4412 1 8 . 1 1 75 75 ALA C C 87 179.545 179.545 179.192 0.353 18522 4413 1 8 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.532 0.319 18522 4414 1 8 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.963 0.527 18522 4415 1 8 . 1 1 75 75 ALA H H 87 8.577 8.577 8.720 -0.143 18522 4416 1 8 . 1 1 76 76 LYS N N 88 117.733 117.733 119.275 -1.542 18522 4417 1 8 . 1 1 76 76 LYS HA H 88 4.051 4.051 4.014 0.037 18522 4418 1 8 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.428 -0.035 18522 4419 1 8 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.363 -0.305 18522 4420 1 8 . 1 1 76 76 LYS H H 88 7.854 7.854 7.454 0.400 18522 4421 1 8 . 1 1 77 77 MET N N 89 117.676 117.676 118.691 -1.015 18522 4422 1 8 . 1 1 77 77 MET HA H 89 4.048 4.048 4.145 -0.097 18522 4423 1 8 . 1 1 77 77 MET C C 89 178.791 178.791 178.880 -0.089 18522 4424 1 8 . 1 1 77 77 MET CA C 89 59.128 59.128 58.359 0.769 18522 4425 1 8 . 1 1 77 77 MET CB C 89 33.801 33.801 32.016 1.785 18522 4426 1 8 . 1 1 77 77 MET H H 89 7.759 7.759 8.144 -0.385 18522 4427 1 8 . 1 1 78 78 ILE N N 90 117.305 117.305 120.079 -2.774 18522 4428 1 8 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.584 0.006 18522 4429 1 8 . 1 1 78 78 ILE C C 90 178.658 178.658 178.165 0.493 18522 4430 1 8 . 1 1 78 78 ILE CA C 90 65.482 65.482 65.329 0.153 18522 4431 1 8 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.514 1.331 18522 4432 1 8 . 1 1 78 78 ILE H H 90 7.972 7.972 8.606 -0.634 18522 4433 1 8 . 1 1 79 79 GLN N N 91 120.935 120.935 118.361 2.574 18522 4434 1 8 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.143 -0.145 18522 4435 1 8 . 1 1 79 79 GLN C C 91 178.274 178.274 179.397 -1.123 18522 4436 1 8 . 1 1 79 79 GLN CA C 91 59.151 59.151 58.397 0.754 18522 4437 1 8 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.875 0.059 18522 4438 1 8 . 1 1 79 79 GLN H H 91 8.826 8.826 8.212 0.614 18522 4439 1 8 . 1 1 80 80 GLU N N 92 115.213 115.213 123.022 -7.809 18522 4440 1 8 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.145 -0.084 18522 4441 1 8 . 1 1 80 80 GLU C C 92 176.824 176.824 177.918 -1.094 18522 4442 1 8 . 1 1 80 80 GLU CA C 92 58.006 58.006 58.917 -0.911 18522 4443 1 8 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.731 0.159 18522 4444 1 8 . 1 1 80 80 GLU H H 92 8.020 8.020 8.596 -0.576 18522 4445 1 8 . 1 1 81 81 VAL N N 93 119.047 119.047 116.599 2.448 18522 4446 1 8 . 1 1 81 81 VAL HA H 93 3.930 3.930 4.050 -0.120 18522 4447 1 8 . 1 1 81 81 VAL C C 93 176.016 176.016 175.086 0.930 18522 4448 1 8 . 1 1 81 81 VAL CA C 93 63.153 63.153 61.878 1.275 18522 4449 1 8 . 1 1 81 81 VAL CB C 93 32.154 32.154 29.512 2.642 18522 4450 1 8 . 1 1 81 81 VAL H H 93 7.073 7.073 7.904 -0.831 18522 4451 1 8 . 1 1 82 82 LYS N N 94 128.366 128.366 127.189 1.177 18522 4452 1 8 . 1 1 82 82 LYS C C 94 177.460 177.460 177.505 -0.045 18522 4453 1 8 . 1 1 82 82 LYS CA C 94 55.753 55.753 58.061 -2.308 18522 4454 1 8 . 1 1 82 82 LYS CB C 94 32.332 32.332 32.068 0.264 18522 4455 1 8 . 1 1 82 82 LYS H H 94 8.762 8.762 8.283 0.479 18522 4456 1 8 . 1 1 83 83 GLY N N 95 112.528 112.528 111.881 0.647 18522 4457 1 8 . 1 1 83 83 GLY C C 95 173.468 173.468 174.117 -0.649 18522 4458 1 8 . 1 1 83 83 GLY CA C 95 46.243 46.243 44.866 1.377 18522 4459 1 8 . 1 1 83 83 GLY H H 95 8.673 8.673 8.828 -0.155 18522 4460 1 8 . 1 1 84 84 GLU N N 96 121.485 121.485 119.873 1.612 18522 4461 1 8 . 1 1 84 84 GLU HA H 96 4.749 4.749 4.757 -0.008 18522 4462 1 8 . 1 1 84 84 GLU C C 96 174.583 174.583 174.212 0.371 18522 4463 1 8 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.548 1.272 18522 4464 1 8 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.678 -2.268 18522 4465 1 8 . 1 1 84 84 GLU H H 96 8.297 8.297 7.676 0.621 18522 4466 1 8 . 1 1 85 85 VAL N N 97 120.501 120.501 117.791 2.710 18522 4467 1 8 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.293 0.372 18522 4468 1 8 . 1 1 85 85 VAL C C 97 173.047 173.047 174.354 -1.307 18522 4469 1 8 . 1 1 85 85 VAL CA C 97 60.114 60.114 62.489 -2.375 18522 4470 1 8 . 1 1 85 85 VAL CB C 97 35.184 35.184 36.035 -0.851 18522 4471 1 8 . 1 1 85 85 VAL H H 97 9.096 9.096 8.054 1.042 18522 4472 1 8 . 1 1 86 86 THR N N 98 125.019 125.019 124.731 0.288 18522 4473 1 8 . 1 1 86 86 THR HA H 98 4.076 4.076 5.015 -0.939 18522 4474 1 8 . 1 1 86 86 THR C C 98 173.807 173.807 173.428 0.379 18522 4475 1 8 . 1 1 86 86 THR CA C 98 61.735 61.735 61.686 0.049 18522 4476 1 8 . 1 1 86 86 THR CB C 98 69.531 69.531 69.926 -0.395 18522 4477 1 8 . 1 1 86 86 THR H H 98 9.352 9.352 8.390 0.962 18522 4478 1 8 . 1 1 87 87 ILE N N 99 128.383 128.383 123.734 4.649 18522 4479 1 8 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.674 -0.013 18522 4480 1 8 . 1 1 87 87 ILE C C 99 174.614 174.614 174.396 0.218 18522 4481 1 8 . 1 1 87 87 ILE CA C 99 58.258 58.258 58.954 -0.696 18522 4482 1 8 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.879 -0.351 18522 4483 1 8 . 1 1 87 87 ILE H H 99 9.329 9.329 8.382 0.947 18522 4484 1 8 . 1 1 88 88 HIS N N 100 128.279 128.279 121.918 6.361 18522 4485 1 8 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.376 -0.428 18522 4486 1 8 . 1 1 88 88 HIS C C 100 174.787 174.787 174.666 0.121 18522 4487 1 8 . 1 1 88 88 HIS CA C 100 54.620 54.620 54.661 -0.041 18522 4488 1 8 . 1 1 88 88 HIS H H 100 8.647 8.647 8.325 0.322 18522 4489 1 8 . 1 1 89 89 TYR N N 101 121.320 121.320 122.331 -1.011 18522 4490 1 8 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.733 0.214 18522 4491 1 8 . 1 1 89 89 TYR C C 101 173.769 173.769 173.445 0.324 18522 4492 1 8 . 1 1 89 89 TYR CA C 101 55.669 55.669 55.442 0.227 18522 4493 1 8 . 1 1 89 89 TYR CB C 101 42.195 42.195 41.127 1.068 18522 4494 1 8 . 1 1 89 89 TYR H H 101 8.414 8.414 9.115 -0.701 18522 4495 1 8 . 1 1 90 90 ASN N N 102 116.679 116.679 118.898 -2.219 18522 4496 1 8 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.597 -0.262 18522 4497 1 8 . 1 1 90 90 ASN C C 102 175.406 175.406 175.652 -0.246 18522 4498 1 8 . 1 1 90 90 ASN CA C 102 51.961 51.961 51.310 0.651 18522 4499 1 8 . 1 1 90 90 ASN CB C 102 41.800 41.800 42.162 -0.362 18522 4500 1 8 . 1 1 90 90 ASN H H 102 9.282 9.282 8.896 0.386 18522 4501 1 8 . 1 1 91 91 LYS N N 103 124.129 124.129 118.474 5.655 18522 4502 1 8 . 1 1 91 91 LYS C C 103 176.678 176.678 175.273 1.405 18522 4503 1 8 . 1 1 91 91 LYS CA C 103 55.006 55.006 56.618 -1.612 18522 4504 1 8 . 1 1 91 91 LYS H H 103 8.949 8.949 8.696 0.253 18522 4505 1 8 . 1 1 92 92 LEU N N 104 127.043 127.043 113.046 13.997 18522 4506 1 8 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.938 -0.513 18522 4507 1 8 . 1 1 92 92 LEU CA C 104 55.060 55.060 54.070 0.990 18522 4508 1 8 . 1 1 92 92 LEU CB C 104 42.559 42.559 44.989 -2.430 18522 4509 1 8 . 1 1 92 92 LEU H H 104 9.150 9.150 7.272 1.878 18522 4510 1 8 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.544 -0.229 18522 4511 1 8 . 1 1 93 93 GLN C C 105 175.070 175.070 174.488 0.582 18522 4512 1 8 . 1 1 93 93 GLN CA C 105 55.490 55.490 55.062 0.428 18522 4513 1 8 . 1 1 93 93 GLN CB C 105 28.909 28.909 28.983 -0.074 18522 4514 1 8 . 1 1 94 94 ALA N N 106 125.133 125.133 123.843 1.290 18522 4515 1 8 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.555 -0.189 18522 4516 1 8 . 1 1 94 94 ALA C C 106 176.392 176.392 174.901 1.491 18522 4517 1 8 . 1 1 94 94 ALA CA C 106 51.723 51.723 51.809 -0.086 18522 4518 1 8 . 1 1 94 94 ALA CB C 106 20.185 20.185 22.030 -1.845 18522 4519 1 8 . 1 1 94 94 ALA H H 106 8.226 8.226 8.088 0.138 18522 4520 1 8 . 1 1 95 95 ASP N N 107 122.013 122.013 119.659 2.354 18522 4521 1 8 . 1 1 95 95 ASP HA H 107 4.413 4.413 5.047 -0.634 18522 4522 1 8 . 1 1 95 95 ASP C C 107 175.019 175.019 175.130 -0.111 18522 4523 1 8 . 1 1 95 95 ASP CA C 107 55.642 55.642 52.673 2.969 18522 4524 1 8 . 1 1 95 95 ASP CB C 107 41.266 41.266 43.023 -1.757 18522 4525 1 8 . 1 1 95 95 ASP H H 107 8.429 8.429 8.380 0.049 18522 4526 1 8 . 1 1 96 96 PRO HA H 108 4.207 4.207 4.059 0.148 18522 4527 1 8 . 1 1 96 96 PRO C C 108 178.840 178.840 178.321 0.519 18522 4528 1 8 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.394 -0.998 18522 4529 1 8 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.595 0.586 18522 4530 1 8 . 1 1 97 97 LYS N N 109 117.942 117.942 115.467 2.475 18522 4531 1 8 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.015 0.128 18522 4532 1 8 . 1 1 97 97 LYS C C 109 178.099 178.099 179.009 -0.910 18522 4533 1 8 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.322 -1.155 18522 4534 1 8 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.516 0.133 18522 4535 1 8 . 1 1 97 97 LYS H H 109 8.335 8.335 8.482 -0.147 18522 4536 1 8 . 1 1 98 98 GLN N N 110 119.159 119.159 118.675 0.484 18522 4537 1 8 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.230 -0.100 18522 4538 1 8 . 1 1 98 98 GLN C C 110 178.298 178.298 178.594 -0.296 18522 4539 1 8 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.489 0.171 18522 4540 1 8 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.458 0.262 18522 4541 1 8 . 1 1 98 98 GLN H H 110 7.985 7.985 7.922 0.063 18522 4542 1 8 . 1 1 99 99 LEU N N 111 120.490 120.490 122.618 -2.128 18522 4543 1 8 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.135 -0.258 18522 4544 1 8 . 1 1 99 99 LEU C C 111 177.729 177.729 178.262 -0.533 18522 4545 1 8 . 1 1 99 99 LEU CA C 111 57.049 57.049 58.048 -0.999 18522 4546 1 8 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.695 -0.229 18522 4547 1 8 . 1 1 99 99 LEU H H 111 7.994 7.994 8.562 -0.568 18522 4548 1 8 . 1 1 100 100 GLU N N 112 118.251 118.251 118.651 -0.400 18522 4549 1 8 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.060 -0.088 18522 4550 1 8 . 1 1 100 100 GLU C C 112 178.402 178.402 178.970 -0.568 18522 4551 1 8 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.212 -0.156 18522 4552 1 8 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.052 0.680 18522 4553 1 8 . 1 1 100 100 GLU H H 112 7.760 7.760 8.035 -0.275 18522 4554 1 8 . 1 1 101 101 VAL N N 113 117.229 117.229 120.561 -3.332 18522 4555 1 8 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.839 -0.077 18522 4556 1 8 . 1 1 101 101 VAL C C 113 178.107 178.107 177.597 0.510 18522 4557 1 8 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.420 -0.629 18522 4558 1 8 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.699 0.450 18522 4559 1 8 . 1 1 101 101 VAL H H 113 7.437 7.437 7.579 -0.142 18522 4560 1 8 . 1 1 102 102 LEU N N 114 122.124 122.124 118.444 3.680 18522 4561 1 8 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.118 -0.085 18522 4562 1 8 . 1 1 102 102 LEU C C 114 178.506 178.506 179.059 -0.553 18522 4563 1 8 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.581 0.662 18522 4564 1 8 . 1 1 102 102 LEU CB C 114 42.028 42.028 41.783 0.245 18522 4565 1 8 . 1 1 102 102 LEU H H 114 7.765 7.765 7.493 0.272 18522 4566 1 8 . 1 1 103 103 PHE N N 115 115.346 115.346 120.204 -4.858 18522 4567 1 8 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.044 0.180 18522 4568 1 8 . 1 1 103 103 PHE C C 115 175.621 175.621 177.284 -1.663 18522 4569 1 8 . 1 1 103 103 PHE CA C 115 57.537 57.537 61.248 -3.711 18522 4570 1 8 . 1 1 103 103 PHE CB C 115 38.057 38.057 39.278 -1.221 18522 4571 1 8 . 1 1 103 103 PHE H H 115 7.805 7.805 7.920 -0.115 18522 4572 1 8 . 1 1 104 104 GLN N N 116 119.021 119.021 117.429 1.592 18522 4573 1 8 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.328 0.079 18522 4574 1 8 . 1 1 104 104 GLN C C 116 176.402 176.402 176.559 -0.157 18522 4575 1 8 . 1 1 104 104 GLN CA C 116 55.521 55.521 56.639 -1.118 18522 4576 1 8 . 1 1 104 104 GLN CB C 116 29.170 29.170 29.393 -0.223 18522 4577 1 8 . 1 1 104 104 GLN H H 116 7.974 7.974 7.939 0.035 18522 4578 1 8 . 1 1 105 105 GLY N N 117 108.868 108.868 107.819 1.049 18522 4579 1 8 . 1 1 105 105 GLY CA C 117 45.124 45.124 44.453 0.671 18522 4580 1 8 . 1 1 105 105 GLY H H 117 8.195 8.195 7.950 0.245 18522 4581 1 8 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.339 0.151 18522 4582 1 8 . 1 1 106 106 PRO C C 118 176.001 176.001 176.967 -0.966 18522 4583 1 8 . 1 1 106 106 PRO CA C 118 63.523 63.523 64.820 -1.297 18522 4584 1 8 . 1 1 106 106 PRO CB C 118 32.078 32.078 32.292 -0.214 18522 4585 1 8 . 1 1 107 107 GLN N N 119 126.950 126.950 114.561 12.389 18522 4586 1 8 . 1 1 107 107 GLN C C 119 181.211 181.211 175.102 6.109 18522 4587 1 8 . 1 1 107 107 GLN CA C 119 57.416 57.416 55.684 1.732 18522 4588 1 8 . 1 1 107 107 GLN H H 119 8.079 8.079 8.086 -0.007 18522 4589 1 8 . 1 1 111 111 ARG C C 123 174.608 174.608 174.600 0.008 18522 4590 1 8 . 1 1 111 111 ARG CA C 123 55.099 55.099 55.723 -0.624 18522 4591 1 8 . 1 1 112 112 HIS N N 124 122.212 122.212 122.071 0.141 18522 4592 1 8 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.172 0.546 18522 4593 1 8 . 1 1 112 112 HIS C C 124 176.040 176.040 174.182 1.858 18522 4594 1 8 . 1 1 112 112 HIS CA C 124 54.213 54.213 56.141 -1.927 18522 4595 1 8 . 1 1 112 112 HIS CB C 124 31.164 31.164 29.832 1.332 18522 4596 1 8 . 1 1 112 112 HIS H H 124 7.640 7.640 8.249 -0.609 18522 4597 1 8 . 1 1 113 113 TRP C C 125 176.168 176.168 176.154 0.014 18522 4598 1 8 . 1 1 114 114 LEU N N 126 121.893 121.893 122.845 -0.952 18522 4599 1 8 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.469 0.400 18522 4600 1 8 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.666 0.485 18522 4601 1 8 . 1 1 114 114 LEU CB C 126 45.144 45.144 43.762 1.382 18522 4602 1 8 . 1 1 114 114 LEU H H 126 8.606 8.606 8.340 0.266 18522 4603 1 8 . 1 1 115 115 LYS N N 127 125.850 125.850 117.952 7.898 18522 4604 1 8 . 1 1 115 115 LYS HA H 127 4.203 4.203 5.089 -0.886 18522 4605 1 8 . 1 1 115 115 LYS C C 127 175.564 175.564 174.758 0.806 18522 4606 1 8 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.530 1.722 18522 4607 1 8 . 1 1 115 115 LYS CB C 127 33.406 33.406 33.427 -0.021 18522 4608 1 8 . 1 1 115 115 LYS H H 127 8.647 8.647 8.041 0.606 18522 4609 1 9 . 1 1 3 3 PRO C C 15 177.225 177.225 177.501 -0.276 18522 4610 1 9 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.929 0.579 18522 4611 1 9 . 1 1 3 3 PRO CB C 15 32.090 32.090 32.384 -0.294 18522 4612 1 9 . 1 1 4 4 GLY N N 16 108.829 108.829 109.080 -0.251 18522 4613 1 9 . 1 1 4 4 GLY C C 16 173.398 173.398 174.523 -1.125 18522 4614 1 9 . 1 1 4 4 GLY CA C 16 45.128 45.128 45.458 -0.330 18522 4615 1 9 . 1 1 4 4 GLY H H 16 8.489 8.489 8.252 0.237 18522 4616 1 9 . 1 1 5 5 ILE N N 17 121.763 121.763 121.291 0.472 18522 4617 1 9 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.557 -0.003 18522 4618 1 9 . 1 1 5 5 ILE C C 17 174.332 174.332 174.978 -0.646 18522 4619 1 9 . 1 1 5 5 ILE CA C 17 58.245 58.245 59.035 -0.791 18522 4620 1 9 . 1 1 5 5 ILE CB C 17 38.762 38.762 37.571 1.192 18522 4621 1 9 . 1 1 5 5 ILE H H 17 8.014 8.014 7.800 0.214 18522 4622 1 9 . 1 1 6 6 PRO C C 18 176.437 176.437 176.296 0.141 18522 4623 1 9 . 1 1 6 6 PRO CA C 18 62.667 62.667 63.535 -0.868 18522 4624 1 9 . 1 1 6 6 PRO CB C 18 32.469 32.469 31.963 0.506 18522 4625 1 9 . 1 1 7 7 VAL N N 19 123.849 123.849 119.556 4.293 18522 4626 1 9 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.288 0.262 18522 4627 1 9 . 1 1 7 7 VAL C C 19 174.453 174.453 174.162 0.291 18522 4628 1 9 . 1 1 7 7 VAL CA C 19 59.846 59.846 59.614 0.232 18522 4629 1 9 . 1 1 7 7 VAL CB C 19 33.510 33.510 30.765 2.745 18522 4630 1 9 . 1 1 7 7 VAL H H 19 8.754 8.754 8.101 0.653 18522 4631 1 9 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.499 0.839 18522 4632 1 9 . 1 1 8 8 PRO C C 20 177.585 177.585 176.689 0.896 18522 4633 1 9 . 1 1 8 8 PRO CA C 20 62.406 62.406 63.062 -0.656 18522 4634 1 9 . 1 1 8 8 PRO CB C 20 32.891 32.891 31.349 1.542 18522 4635 1 9 . 1 1 9 9 GLY N N 21 108.426 108.426 111.894 -3.468 18522 4636 1 9 . 1 1 9 9 GLY C C 21 171.443 171.443 172.127 -0.684 18522 4637 1 9 . 1 1 9 9 GLY CA C 21 44.581 44.581 44.401 0.180 18522 4638 1 9 . 1 1 9 9 GLY H H 21 8.258 8.258 8.305 -0.047 18522 4639 1 9 . 1 1 10 10 LYS N N 22 117.372 117.372 122.628 -5.256 18522 4640 1 9 . 1 1 10 10 LYS HA H 22 4.039 4.039 4.717 -0.678 18522 4641 1 9 . 1 1 10 10 LYS C C 22 174.463 174.463 174.435 0.028 18522 4642 1 9 . 1 1 10 10 LYS CA C 22 55.263 55.263 55.505 -0.242 18522 4643 1 9 . 1 1 10 10 LYS CB C 22 35.227 35.227 34.489 0.738 18522 4644 1 9 . 1 1 10 10 LYS H H 22 8.175 8.175 8.153 0.022 18522 4645 1 9 . 1 1 11 11 VAL N N 23 120.387 120.387 116.222 4.165 18522 4646 1 9 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.544 0.164 18522 4647 1 9 . 1 1 11 11 VAL C C 23 171.873 171.873 173.955 -2.082 18522 4648 1 9 . 1 1 11 11 VAL CA C 23 59.866 59.866 59.943 -0.077 18522 4649 1 9 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.204 0.065 18522 4650 1 9 . 1 1 11 11 VAL H H 23 8.862 8.862 8.277 0.585 18522 4651 1 9 . 1 1 12 12 THR N N 24 125.797 125.797 118.479 7.318 18522 4652 1 9 . 1 1 12 12 THR HA H 24 5.121 5.121 4.645 0.476 18522 4653 1 9 . 1 1 12 12 THR C C 24 173.407 173.407 173.176 0.231 18522 4654 1 9 . 1 1 12 12 THR CA C 24 62.115 62.115 60.564 1.551 18522 4655 1 9 . 1 1 12 12 THR CB C 24 69.606 69.606 69.204 0.402 18522 4656 1 9 . 1 1 12 12 THR H H 24 8.859 8.859 8.276 0.583 18522 4657 1 9 . 1 1 13 13 LEU N N 25 127.960 127.960 127.329 0.631 18522 4658 1 9 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.874 -0.065 18522 4659 1 9 . 1 1 13 13 LEU C C 25 175.029 175.029 175.147 -0.118 18522 4660 1 9 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.479 0.144 18522 4661 1 9 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.071 1.171 18522 4662 1 9 . 1 1 13 13 LEU H H 25 9.258 9.258 8.049 1.209 18522 4663 1 9 . 1 1 14 14 GLN N N 26 120.858 120.858 117.618 3.240 18522 4664 1 9 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.557 -0.075 18522 4665 1 9 . 1 1 14 14 GLN C C 26 174.515 174.515 175.364 -0.849 18522 4666 1 9 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.254 0.322 18522 4667 1 9 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.831 -2.315 18522 4668 1 9 . 1 1 14 14 GLN H H 26 8.530 8.530 8.341 0.189 18522 4669 1 9 . 1 1 15 15 LYS N N 27 119.583 119.583 122.256 -2.673 18522 4670 1 9 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.235 -0.055 18522 4671 1 9 . 1 1 15 15 LYS C C 27 177.468 177.468 176.735 0.733 18522 4672 1 9 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.933 -0.977 18522 4673 1 9 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.386 1.712 18522 4674 1 9 . 1 1 15 15 LYS H H 27 8.099 8.099 8.057 0.042 18522 4675 1 9 . 1 1 16 16 ASP N N 28 121.439 121.439 122.436 -0.997 18522 4676 1 9 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.641 -0.051 18522 4677 1 9 . 1 1 16 16 ASP C C 28 178.392 178.392 177.875 0.517 18522 4678 1 9 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.618 -1.192 18522 4679 1 9 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.679 -1.302 18522 4680 1 9 . 1 1 16 16 ASP H H 28 8.888 8.888 8.648 0.240 18522 4681 1 9 . 1 1 17 17 ALA N N 29 119.578 119.578 123.667 -4.089 18522 4682 1 9 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.092 0.096 18522 4683 1 9 . 1 1 17 17 ALA C C 29 178.763 178.763 178.292 0.471 18522 4684 1 9 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.507 -0.073 18522 4685 1 9 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.688 -0.395 18522 4686 1 9 . 1 1 17 17 ALA H H 29 8.392 8.392 8.713 -0.321 18522 4687 1 9 . 1 1 18 18 GLN N N 30 117.564 117.564 117.345 0.219 18522 4688 1 9 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.335 0.064 18522 4689 1 9 . 1 1 18 18 GLN C C 30 175.168 175.168 175.518 -0.350 18522 4690 1 9 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.418 -0.079 18522 4691 1 9 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.411 -0.822 18522 4692 1 9 . 1 1 18 18 GLN H H 30 8.353 8.353 7.983 0.370 18522 4693 1 9 . 1 1 19 19 ASN N N 31 115.365 115.365 116.059 -0.694 18522 4694 1 9 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.419 -0.104 18522 4695 1 9 . 1 1 19 19 ASN C C 31 174.043 174.043 172.947 1.096 18522 4696 1 9 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.711 -0.408 18522 4697 1 9 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.654 -0.044 18522 4698 1 9 . 1 1 19 19 ASN H H 31 8.521 8.521 8.368 0.153 18522 4699 1 9 . 1 1 20 20 LEU N N 32 118.660 118.660 112.463 6.197 18522 4700 1 9 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.827 0.073 18522 4701 1 9 . 1 1 20 20 LEU C C 32 178.117 178.117 176.378 1.739 18522 4702 1 9 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.542 0.415 18522 4703 1 9 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.345 1.429 18522 4704 1 9 . 1 1 20 20 LEU H H 32 8.155 8.155 7.398 0.757 18522 4705 1 9 . 1 1 21 21 ILE N N 33 116.785 116.785 116.308 0.477 18522 4706 1 9 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.434 0.240 18522 4707 1 9 . 1 1 21 21 ILE C C 33 176.185 176.185 176.626 -0.441 18522 4708 1 9 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.350 1.252 18522 4709 1 9 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.380 -0.364 18522 4710 1 9 . 1 1 21 21 ILE H H 33 11.488 11.488 8.337 3.151 18522 4711 1 9 . 1 1 22 22 GLY N N 34 111.234 111.234 108.890 2.344 18522 4712 1 9 . 1 1 22 22 GLY C C 34 173.993 173.993 173.190 0.803 18522 4713 1 9 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.188 0.792 18522 4714 1 9 . 1 1 22 22 GLY H H 34 9.854 9.854 8.704 1.150 18522 4715 1 9 . 1 1 23 23 ILE N N 35 111.117 111.117 114.173 -3.056 18522 4716 1 9 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.148 0.387 18522 4717 1 9 . 1 1 23 23 ILE C C 35 175.033 175.033 173.955 1.078 18522 4718 1 9 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.876 0.539 18522 4719 1 9 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.545 0.031 18522 4720 1 9 . 1 1 23 23 ILE H H 35 7.835 7.835 7.331 0.504 18522 4721 1 9 . 1 1 24 24 SER N N 36 114.908 114.908 115.566 -0.658 18522 4722 1 9 . 1 1 24 24 SER HA H 36 4.232 4.232 4.897 -0.665 18522 4723 1 9 . 1 1 24 24 SER C C 36 174.735 174.735 172.891 1.844 18522 4724 1 9 . 1 1 24 24 SER CA C 36 56.121 56.121 57.211 -1.090 18522 4725 1 9 . 1 1 24 24 SER CB C 36 66.097 66.097 65.652 0.445 18522 4726 1 9 . 1 1 24 24 SER H H 36 8.623 8.623 8.742 -0.119 18522 4727 1 9 . 1 1 25 25 ILE N N 37 117.739 117.739 124.955 -7.216 18522 4728 1 9 . 1 1 25 25 ILE C C 37 174.340 174.340 174.625 -0.285 18522 4729 1 9 . 1 1 25 25 ILE CA C 37 59.123 59.123 59.740 -0.617 18522 4730 1 9 . 1 1 25 25 ILE CB C 37 41.637 41.637 41.601 0.036 18522 4731 1 9 . 1 1 25 25 ILE H H 37 9.130 9.130 8.718 0.412 18522 4732 1 9 . 1 1 26 26 GLY N N 38 108.069 108.069 114.200 -6.131 18522 4733 1 9 . 1 1 26 26 GLY CA C 38 44.112 44.112 44.321 -0.209 18522 4734 1 9 . 1 1 26 26 GLY H H 38 8.841 8.841 9.040 -0.199 18522 4735 1 9 . 1 1 27 27 GLY N N 39 109.016 109.016 110.470 -1.454 18522 4736 1 9 . 1 1 27 27 GLY C C 39 173.956 173.956 174.404 -0.448 18522 4737 1 9 . 1 1 27 27 GLY H H 39 8.187 8.187 8.352 -0.165 18522 4738 1 9 . 1 1 28 28 GLY N N 40 111.783 111.783 111.674 0.109 18522 4739 1 9 . 1 1 28 28 GLY C C 40 174.255 174.255 174.810 -0.555 18522 4740 1 9 . 1 1 28 28 GLY CA C 40 47.098 47.098 44.128 2.970 18522 4741 1 9 . 1 1 28 28 GLY H H 40 8.275 8.275 8.384 -0.109 18522 4742 1 9 . 1 1 29 29 ALA N N 41 123.128 123.128 120.744 2.384 18522 4743 1 9 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.132 0.427 18522 4744 1 9 . 1 1 29 29 ALA CA C 41 51.073 51.073 54.225 -3.152 18522 4745 1 9 . 1 1 29 29 ALA CB C 41 21.926 21.926 18.889 3.038 18522 4746 1 9 . 1 1 29 29 ALA H H 41 8.012 8.012 8.358 -0.346 18522 4747 1 9 . 1 1 31 31 TYR HA H 43 4.549 4.549 3.930 0.619 18522 4748 1 9 . 1 1 31 31 TYR CA C 43 57.147 57.147 61.232 -4.085 18522 4749 1 9 . 1 1 31 31 TYR CB C 43 37.495 37.495 38.484 -0.989 18522 4750 1 9 . 1 1 32 32 CYS N N 44 119.332 119.332 114.297 5.035 18522 4751 1 9 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.688 0.171 18522 4752 1 9 . 1 1 32 32 CYS CA C 44 57.406 57.406 58.788 -1.382 18522 4753 1 9 . 1 1 32 32 CYS CB C 44 27.673 27.673 27.605 0.069 18522 4754 1 9 . 1 1 32 32 CYS H H 44 7.504 7.504 8.019 -0.515 18522 4755 1 9 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.752 -0.339 18522 4756 1 9 . 1 1 33 33 PRO CA C 45 64.885 64.885 64.826 0.059 18522 4757 1 9 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.593 -0.275 18522 4758 1 9 . 1 1 34 34 CYS N N 46 117.327 117.327 113.695 3.632 18522 4759 1 9 . 1 1 34 34 CYS C C 46 172.064 172.064 176.569 -4.505 18522 4760 1 9 . 1 1 34 34 CYS CA C 46 60.066 60.066 61.773 -1.707 18522 4761 1 9 . 1 1 34 34 CYS CB C 46 28.715 28.715 26.338 2.377 18522 4762 1 9 . 1 1 34 34 CYS H H 46 7.973 7.973 8.321 -0.348 18522 4763 1 9 . 1 1 35 35 LEU N N 47 124.270 124.270 114.878 9.392 18522 4764 1 9 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.017 0.911 18522 4765 1 9 . 1 1 35 35 LEU C C 47 175.076 175.076 177.304 -2.228 18522 4766 1 9 . 1 1 35 35 LEU CA C 47 53.278 53.278 57.655 -4.377 18522 4767 1 9 . 1 1 35 35 LEU CB C 47 44.321 44.321 39.981 4.340 18522 4768 1 9 . 1 1 35 35 LEU H H 47 8.629 8.629 8.545 0.084 18522 4769 1 9 . 1 1 36 36 TYR N N 48 119.326 119.326 112.913 6.413 18522 4770 1 9 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.202 1.053 18522 4771 1 9 . 1 1 36 36 TYR C C 48 175.766 175.766 176.741 -0.975 18522 4772 1 9 . 1 1 36 36 TYR CA C 48 56.696 56.696 61.159 -4.463 18522 4773 1 9 . 1 1 36 36 TYR CB C 48 42.590 42.590 37.094 5.496 18522 4774 1 9 . 1 1 36 36 TYR H H 48 8.761 8.761 8.197 0.564 18522 4775 1 9 . 1 1 37 37 ILE N N 49 120.259 120.259 122.325 -2.066 18522 4776 1 9 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.410 -0.195 18522 4777 1 9 . 1 1 37 37 ILE C C 49 177.429 177.429 176.689 0.740 18522 4778 1 9 . 1 1 37 37 ILE CA C 49 62.456 62.456 60.992 1.464 18522 4779 1 9 . 1 1 37 37 ILE CB C 49 37.352 37.352 37.121 0.231 18522 4780 1 9 . 1 1 37 37 ILE H H 49 8.959 8.959 7.793 1.166 18522 4781 1 9 . 1 1 38 38 VAL HA H 50 3.937 3.937 4.307 -0.370 18522 4782 1 9 . 1 1 38 38 VAL C C 50 174.408 174.408 175.404 -0.996 18522 4783 1 9 . 1 1 38 38 VAL CA C 50 62.259 62.259 62.559 -0.300 18522 4784 1 9 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.834 -1.250 18522 4785 1 9 . 1 1 39 39 GLN N N 51 116.821 116.821 117.778 -0.957 18522 4786 1 9 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.566 -0.463 18522 4787 1 9 . 1 1 39 39 GLN C C 51 172.856 172.856 172.921 -0.065 18522 4788 1 9 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.495 -0.368 18522 4789 1 9 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.652 -0.276 18522 4790 1 9 . 1 1 39 39 GLN H H 51 6.967 6.967 7.656 -0.689 18522 4791 1 9 . 1 1 40 40 VAL N N 52 123.482 123.482 121.244 2.238 18522 4792 1 9 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.671 -0.394 18522 4793 1 9 . 1 1 40 40 VAL C C 52 176.198 176.198 174.124 2.074 18522 4794 1 9 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.612 1.962 18522 4795 1 9 . 1 1 40 40 VAL CB C 52 32.875 32.875 34.736 -1.861 18522 4796 1 9 . 1 1 40 40 VAL H H 52 8.447 8.447 8.353 0.094 18522 4797 1 9 . 1 1 41 41 PHE N N 53 128.296 128.296 124.710 3.586 18522 4798 1 9 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.656 -0.256 18522 4799 1 9 . 1 1 41 41 PHE C C 53 175.299 175.299 175.240 0.059 18522 4800 1 9 . 1 1 41 41 PHE CA C 53 58.494 58.494 58.216 0.278 18522 4801 1 9 . 1 1 41 41 PHE CB C 53 39.561 39.561 39.402 0.159 18522 4802 1 9 . 1 1 41 41 PHE H H 53 8.707 8.707 8.145 0.562 18522 4803 1 9 . 1 1 42 42 ASP N N 54 122.696 122.696 116.233 6.463 18522 4804 1 9 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.704 -0.432 18522 4805 1 9 . 1 1 42 42 ASP C C 54 176.837 176.837 175.962 0.875 18522 4806 1 9 . 1 1 42 42 ASP CA C 54 55.291 55.291 54.990 0.300 18522 4807 1 9 . 1 1 42 42 ASP CB C 54 41.093 41.093 42.685 -1.592 18522 4808 1 9 . 1 1 42 42 ASP H H 54 8.901 8.901 8.438 0.463 18522 4809 1 9 . 1 1 43 43 ASN N N 55 113.923 113.923 116.779 -2.856 18522 4810 1 9 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.828 -0.570 18522 4811 1 9 . 1 1 43 43 ASN C C 55 173.714 173.714 174.291 -0.577 18522 4812 1 9 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.420 1.538 18522 4813 1 9 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.438 -2.288 18522 4814 1 9 . 1 1 43 43 ASN H H 55 9.319 9.319 8.217 1.102 18522 4815 1 9 . 1 1 44 44 THR N N 56 108.020 108.020 110.047 -2.027 18522 4816 1 9 . 1 1 44 44 THR HA H 56 5.377 5.377 5.033 0.344 18522 4817 1 9 . 1 1 44 44 THR CA C 56 59.712 59.712 58.985 0.727 18522 4818 1 9 . 1 1 44 44 THR CB C 56 69.529 69.529 70.370 -0.841 18522 4819 1 9 . 1 1 44 44 THR H H 56 7.149 7.149 7.408 -0.259 18522 4820 1 9 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.066 0.238 18522 4821 1 9 . 1 1 45 45 PRO C C 57 180.141 180.141 178.062 2.079 18522 4822 1 9 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.633 0.457 18522 4823 1 9 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.401 1.793 18522 4824 1 9 . 1 1 46 46 ALA N N 58 116.854 116.854 120.079 -3.225 18522 4825 1 9 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.010 0.025 18522 4826 1 9 . 1 1 46 46 ALA C C 58 180.647 180.647 179.408 1.239 18522 4827 1 9 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.293 -0.098 18522 4828 1 9 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.113 0.767 18522 4829 1 9 . 1 1 46 46 ALA H H 58 8.938 8.938 7.809 1.129 18522 4830 1 9 . 1 1 47 47 ALA N N 59 123.250 123.250 120.739 2.511 18522 4831 1 9 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.067 -0.037 18522 4832 1 9 . 1 1 47 47 ALA C C 59 179.852 179.852 179.513 0.339 18522 4833 1 9 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.531 0.408 18522 4834 1 9 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.654 1.034 18522 4835 1 9 . 1 1 47 47 ALA H H 59 7.658 7.658 7.431 0.227 18522 4836 1 9 . 1 1 48 48 LEU N N 60 118.654 118.654 119.859 -1.205 18522 4837 1 9 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.126 -0.100 18522 4838 1 9 . 1 1 48 48 LEU C C 60 179.238 179.238 178.614 0.624 18522 4839 1 9 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.168 -0.907 18522 4840 1 9 . 1 1 48 48 LEU CB C 60 41.445 41.445 40.822 0.623 18522 4841 1 9 . 1 1 48 48 LEU H H 60 8.636 8.636 8.490 0.146 18522 4842 1 9 . 1 1 49 49 ASP N N 61 117.382 117.382 117.046 0.336 18522 4843 1 9 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.646 -0.225 18522 4844 1 9 . 1 1 49 49 ASP C C 61 177.668 177.668 178.101 -0.433 18522 4845 1 9 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.907 2.180 18522 4846 1 9 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.790 2.688 18522 4847 1 9 . 1 1 49 49 ASP H H 61 7.665 7.665 7.881 -0.216 18522 4848 1 9 . 1 1 50 50 GLY N N 62 103.228 103.228 106.712 -3.484 18522 4849 1 9 . 1 1 50 50 GLY C C 62 174.776 174.776 174.934 -0.158 18522 4850 1 9 . 1 1 50 50 GLY CA C 62 46.533 46.533 45.583 0.950 18522 4851 1 9 . 1 1 50 50 GLY H H 62 7.216 7.216 8.275 -1.059 18522 4852 1 9 . 1 1 51 51 THR N N 63 117.230 117.230 114.387 2.843 18522 4853 1 9 . 1 1 51 51 THR HA H 63 3.907 3.907 3.924 -0.017 18522 4854 1 9 . 1 1 51 51 THR C C 63 175.961 175.961 175.232 0.729 18522 4855 1 9 . 1 1 51 51 THR CA C 63 66.478 66.478 62.760 3.718 18522 4856 1 9 . 1 1 51 51 THR CB C 63 68.268 68.268 68.325 -0.057 18522 4857 1 9 . 1 1 51 51 THR H H 63 8.319 8.319 7.636 0.683 18522 4858 1 9 . 1 1 52 52 VAL N N 64 113.826 113.826 117.009 -3.183 18522 4859 1 9 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.231 -0.281 18522 4860 1 9 . 1 1 52 52 VAL C C 64 173.883 173.883 174.351 -0.468 18522 4861 1 9 . 1 1 52 52 VAL CA C 64 60.708 60.708 60.553 0.155 18522 4862 1 9 . 1 1 52 52 VAL CB C 64 33.079 33.079 29.673 3.406 18522 4863 1 9 . 1 1 52 52 VAL H H 64 8.147 8.147 7.528 0.619 18522 4864 1 9 . 1 1 53 53 ALA N N 65 123.521 123.521 123.778 -0.257 18522 4865 1 9 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.461 -0.047 18522 4866 1 9 . 1 1 53 53 ALA C C 65 175.247 175.247 176.948 -1.701 18522 4867 1 9 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.588 -0.148 18522 4868 1 9 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.506 2.760 18522 4869 1 9 . 1 1 53 53 ALA H H 65 8.633 8.633 7.383 1.250 18522 4870 1 9 . 1 1 54 54 ALA N N 66 120.818 120.818 122.589 -1.771 18522 4871 1 9 . 1 1 54 54 ALA HA H 66 3.720 3.720 3.867 -0.147 18522 4872 1 9 . 1 1 54 54 ALA C C 66 178.411 178.411 178.395 0.016 18522 4873 1 9 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.248 -0.232 18522 4874 1 9 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.903 -0.063 18522 4875 1 9 . 1 1 54 54 ALA H H 66 8.451 8.451 8.412 0.039 18522 4876 1 9 . 1 1 55 55 GLY N N 67 112.260 112.260 113.582 -1.322 18522 4877 1 9 . 1 1 55 55 GLY C C 67 173.296 173.296 173.578 -0.282 18522 4878 1 9 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.635 0.390 18522 4879 1 9 . 1 1 55 55 GLY H H 67 9.600 9.600 8.542 1.058 18522 4880 1 9 . 1 1 56 56 ASP N N 68 121.293 121.293 120.780 0.513 18522 4881 1 9 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.829 0.032 18522 4882 1 9 . 1 1 56 56 ASP C C 68 174.937 174.937 174.712 0.225 18522 4883 1 9 . 1 1 56 56 ASP CA C 68 55.641 55.641 53.629 2.012 18522 4884 1 9 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.850 -2.154 18522 4885 1 9 . 1 1 56 56 ASP H H 68 8.043 8.043 7.630 0.413 18522 4886 1 9 . 1 1 57 57 GLU N N 69 122.814 122.814 119.426 3.388 18522 4887 1 9 . 1 1 57 57 GLU C C 69 177.202 177.202 176.081 1.121 18522 4888 1 9 . 1 1 57 57 GLU CA C 69 54.472 54.472 53.800 0.672 18522 4889 1 9 . 1 1 57 57 GLU CB C 69 32.800 32.800 31.271 1.529 18522 4890 1 9 . 1 1 57 57 GLU H H 69 8.455 8.455 7.954 0.501 18522 4891 1 9 . 1 1 58 58 ILE N N 70 125.862 125.862 123.593 2.269 18522 4892 1 9 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.481 0.045 18522 4893 1 9 . 1 1 58 58 ILE C C 70 175.035 175.035 175.371 -0.336 18522 4894 1 9 . 1 1 58 58 ILE CA C 70 60.918 60.918 59.655 1.263 18522 4895 1 9 . 1 1 58 58 ILE CB C 70 39.236 39.236 38.621 0.615 18522 4896 1 9 . 1 1 58 58 ILE H H 70 8.619 8.619 8.126 0.493 18522 4897 1 9 . 1 1 59 59 THR N N 71 115.507 115.507 118.338 -2.831 18522 4898 1 9 . 1 1 59 59 THR HA H 71 4.513 4.513 4.056 0.457 18522 4899 1 9 . 1 1 59 59 THR C C 71 176.425 176.425 173.612 2.813 18522 4900 1 9 . 1 1 59 59 THR CA C 71 61.158 61.158 61.527 -0.369 18522 4901 1 9 . 1 1 59 59 THR CB C 71 69.604 69.604 70.164 -0.560 18522 4902 1 9 . 1 1 59 59 THR H H 71 9.242 9.242 8.998 0.244 18522 4903 1 9 . 1 1 60 60 GLY N N 72 111.789 111.789 109.409 2.380 18522 4904 1 9 . 1 1 60 60 GLY C C 72 170.981 170.981 171.275 -0.294 18522 4905 1 9 . 1 1 60 60 GLY CA C 72 46.554 46.554 44.636 1.918 18522 4906 1 9 . 1 1 60 60 GLY H H 72 7.883 7.883 8.165 -0.282 18522 4907 1 9 . 1 1 61 61 VAL N N 73 119.277 119.277 121.762 -2.485 18522 4908 1 9 . 1 1 61 61 VAL C C 73 175.951 175.951 175.898 0.053 18522 4909 1 9 . 1 1 61 61 VAL CA C 73 60.982 60.982 59.814 1.168 18522 4910 1 9 . 1 1 61 61 VAL CB C 73 36.197 36.197 33.975 2.221 18522 4911 1 9 . 1 1 61 61 VAL H H 73 8.424 8.424 8.753 -0.329 18522 4912 1 9 . 1 1 62 62 ASN N N 74 127.731 127.731 126.156 1.575 18522 4913 1 9 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.300 0.220 18522 4914 1 9 . 1 1 62 62 ASN C C 74 174.878 174.878 174.796 0.082 18522 4915 1 9 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.578 -0.160 18522 4916 1 9 . 1 1 62 62 ASN CB C 74 36.655 36.655 38.294 -1.639 18522 4917 1 9 . 1 1 62 62 ASN H H 74 10.384 10.384 9.225 1.159 18522 4918 1 9 . 1 1 63 63 GLY N N 75 104.633 104.633 104.239 0.394 18522 4919 1 9 . 1 1 63 63 GLY C C 75 173.610 173.610 173.426 0.184 18522 4920 1 9 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.813 0.448 18522 4921 1 9 . 1 1 63 63 GLY H H 75 8.926 8.926 8.319 0.607 18522 4922 1 9 . 1 1 64 64 ARG N N 76 120.451 120.451 120.734 -0.283 18522 4923 1 9 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.614 -0.113 18522 4924 1 9 . 1 1 64 64 ARG C C 76 175.085 175.085 175.536 -0.451 18522 4925 1 9 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.249 0.003 18522 4926 1 9 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.644 -0.162 18522 4927 1 9 . 1 1 64 64 ARG H H 76 7.753 7.753 7.826 -0.073 18522 4928 1 9 . 1 1 65 65 SER N N 77 116.586 116.586 117.902 -1.316 18522 4929 1 9 . 1 1 65 65 SER HA H 77 4.483 4.483 4.606 -0.123 18522 4930 1 9 . 1 1 65 65 SER C C 77 176.953 176.953 176.670 0.283 18522 4931 1 9 . 1 1 65 65 SER CA C 77 58.292 58.292 58.340 -0.048 18522 4932 1 9 . 1 1 65 65 SER CB C 77 63.643 63.643 63.873 -0.230 18522 4933 1 9 . 1 1 65 65 SER H H 77 8.555 8.555 8.772 -0.217 18522 4934 1 9 . 1 1 66 66 ILE N N 78 116.618 116.618 124.631 -8.013 18522 4935 1 9 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.135 0.285 18522 4936 1 9 . 1 1 66 66 ILE C C 78 175.072 175.072 177.031 -1.959 18522 4937 1 9 . 1 1 66 66 ILE CA C 78 59.122 59.122 62.364 -3.242 18522 4938 1 9 . 1 1 66 66 ILE CB C 78 36.758 36.758 36.874 -0.116 18522 4939 1 9 . 1 1 66 66 ILE H H 78 7.599 7.599 8.641 -1.042 18522 4940 1 9 . 1 1 67 67 LYS N N 79 123.287 123.287 122.232 1.055 18522 4941 1 9 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.125 -0.076 18522 4942 1 9 . 1 1 67 67 LYS C C 79 178.333 178.333 177.887 0.446 18522 4943 1 9 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.392 -0.071 18522 4944 1 9 . 1 1 67 67 LYS CB C 79 31.635 31.635 32.145 -0.510 18522 4945 1 9 . 1 1 67 67 LYS H H 79 7.898 7.898 7.599 0.299 18522 4946 1 9 . 1 1 68 68 GLY N N 80 114.933 114.933 106.096 8.837 18522 4947 1 9 . 1 1 68 68 GLY C C 80 174.385 174.385 174.607 -0.222 18522 4948 1 9 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.464 0.054 18522 4949 1 9 . 1 1 68 68 GLY H H 80 8.999 8.999 7.751 1.248 18522 4950 1 9 . 1 1 69 69 LYS N N 81 119.403 119.403 119.197 0.206 18522 4951 1 9 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.722 -0.679 18522 4952 1 9 . 1 1 69 69 LYS C C 81 177.064 177.064 175.163 1.901 18522 4953 1 9 . 1 1 69 69 LYS CA C 81 54.722 54.722 54.633 0.090 18522 4954 1 9 . 1 1 69 69 LYS CB C 81 33.560 33.560 34.106 -0.546 18522 4955 1 9 . 1 1 69 69 LYS H H 81 7.845 7.845 7.767 0.078 18522 4956 1 9 . 1 1 70 70 THR N N 82 112.066 112.066 110.262 1.804 18522 4957 1 9 . 1 1 70 70 THR HA H 82 4.666 4.666 4.542 0.124 18522 4958 1 9 . 1 1 70 70 THR C C 82 175.955 175.955 174.627 1.328 18522 4959 1 9 . 1 1 70 70 THR CA C 82 60.438 60.438 60.271 0.167 18522 4960 1 9 . 1 1 70 70 THR CB C 82 71.629 71.629 72.158 -0.529 18522 4961 1 9 . 1 1 70 70 THR H H 82 9.153 9.153 7.717 1.436 18522 4962 1 9 . 1 1 71 71 LYS N N 83 118.730 118.730 121.545 -2.815 18522 4963 1 9 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.918 -0.048 18522 4964 1 9 . 1 1 71 71 LYS C C 83 177.464 177.464 178.465 -1.001 18522 4965 1 9 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.537 0.820 18522 4966 1 9 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.840 -0.490 18522 4967 1 9 . 1 1 71 71 LYS H H 83 8.969 8.969 8.696 0.273 18522 4968 1 9 . 1 1 72 72 VAL N N 84 117.444 117.444 118.559 -1.115 18522 4969 1 9 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.667 -0.034 18522 4970 1 9 . 1 1 72 72 VAL C C 84 178.315 178.315 177.302 1.013 18522 4971 1 9 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.842 0.237 18522 4972 1 9 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.237 0.854 18522 4973 1 9 . 1 1 72 72 VAL H H 84 7.631 7.631 8.253 -0.622 18522 4974 1 9 . 1 1 73 73 GLU N N 85 120.890 120.890 119.447 1.443 18522 4975 1 9 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.098 -0.134 18522 4976 1 9 . 1 1 73 73 GLU C C 85 179.971 179.971 178.938 1.033 18522 4977 1 9 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.305 0.011 18522 4978 1 9 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.724 0.631 18522 4979 1 9 . 1 1 73 73 GLU H H 85 7.617 7.617 7.538 0.079 18522 4980 1 9 . 1 1 74 74 VAL N N 86 121.246 121.246 117.789 3.457 18522 4981 1 9 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.622 0.008 18522 4982 1 9 . 1 1 74 74 VAL C C 86 177.217 177.217 177.711 -0.494 18522 4983 1 9 . 1 1 74 74 VAL CA C 86 66.678 66.678 66.369 0.309 18522 4984 1 9 . 1 1 74 74 VAL CB C 86 31.307 31.307 31.261 0.046 18522 4985 1 9 . 1 1 74 74 VAL H H 86 8.368 8.368 8.433 -0.065 18522 4986 1 9 . 1 1 75 75 ALA N N 87 122.148 122.148 121.850 0.298 18522 4987 1 9 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.927 0.020 18522 4988 1 9 . 1 1 75 75 ALA C C 87 179.545 179.545 179.150 0.395 18522 4989 1 9 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.279 0.572 18522 4990 1 9 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.981 0.510 18522 4991 1 9 . 1 1 75 75 ALA H H 87 8.577 8.577 8.128 0.449 18522 4992 1 9 . 1 1 76 76 LYS N N 88 117.733 117.733 119.414 -1.681 18522 4993 1 9 . 1 1 76 76 LYS HA H 88 4.051 4.051 3.969 0.082 18522 4994 1 9 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.300 0.093 18522 4995 1 9 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.285 -0.228 18522 4996 1 9 . 1 1 76 76 LYS H H 88 7.854 7.854 7.339 0.515 18522 4997 1 9 . 1 1 77 77 MET N N 89 117.676 117.676 118.448 -0.772 18522 4998 1 9 . 1 1 77 77 MET HA H 89 4.048 4.048 3.985 0.063 18522 4999 1 9 . 1 1 77 77 MET C C 89 178.791 178.791 178.850 -0.059 18522 5000 1 9 . 1 1 77 77 MET CA C 89 59.128 59.128 59.797 -0.669 18522 5001 1 9 . 1 1 77 77 MET CB C 89 33.801 33.801 32.551 1.250 18522 5002 1 9 . 1 1 77 77 MET H H 89 7.759 7.759 8.345 -0.586 18522 5003 1 9 . 1 1 78 78 ILE N N 90 117.305 117.305 118.312 -1.007 18522 5004 1 9 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.604 -0.014 18522 5005 1 9 . 1 1 78 78 ILE C C 90 178.658 178.658 178.034 0.624 18522 5006 1 9 . 1 1 78 78 ILE CA C 90 65.482 65.482 65.174 0.308 18522 5007 1 9 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.744 1.101 18522 5008 1 9 . 1 1 78 78 ILE H H 90 7.972 7.972 8.263 -0.291 18522 5009 1 9 . 1 1 79 79 GLN N N 91 120.935 120.935 118.432 2.503 18522 5010 1 9 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.183 -0.185 18522 5011 1 9 . 1 1 79 79 GLN C C 91 178.274 178.274 178.360 -0.086 18522 5012 1 9 . 1 1 79 79 GLN CA C 91 59.151 59.151 58.026 1.125 18522 5013 1 9 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.860 0.074 18522 5014 1 9 . 1 1 79 79 GLN H H 91 8.826 8.826 7.975 0.851 18522 5015 1 9 . 1 1 80 80 GLU N N 92 115.213 115.213 121.693 -6.480 18522 5016 1 9 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.070 -0.009 18522 5017 1 9 . 1 1 80 80 GLU C C 92 176.824 176.824 178.043 -1.219 18522 5018 1 9 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.250 -1.244 18522 5019 1 9 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.661 0.229 18522 5020 1 9 . 1 1 80 80 GLU H H 92 8.020 8.020 8.431 -0.411 18522 5021 1 9 . 1 1 81 81 VAL N N 93 119.047 119.047 116.866 2.181 18522 5022 1 9 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.823 0.107 18522 5023 1 9 . 1 1 81 81 VAL C C 93 176.016 176.016 176.040 -0.024 18522 5024 1 9 . 1 1 81 81 VAL CA C 93 63.153 63.153 64.279 -1.126 18522 5025 1 9 . 1 1 81 81 VAL CB C 93 32.154 32.154 31.476 0.678 18522 5026 1 9 . 1 1 81 81 VAL H H 93 7.073 7.073 7.562 -0.489 18522 5027 1 9 . 1 1 82 82 LYS N N 94 128.366 128.366 119.591 8.775 18522 5028 1 9 . 1 1 82 82 LYS C C 94 177.460 177.460 177.151 0.309 18522 5029 1 9 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.279 -1.526 18522 5030 1 9 . 1 1 82 82 LYS CB C 94 32.332 32.332 32.266 0.066 18522 5031 1 9 . 1 1 82 82 LYS H H 94 8.762 8.762 7.695 1.067 18522 5032 1 9 . 1 1 83 83 GLY N N 95 112.528 112.528 112.476 0.052 18522 5033 1 9 . 1 1 83 83 GLY C C 95 173.468 173.468 173.559 -0.091 18522 5034 1 9 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.415 0.828 18522 5035 1 9 . 1 1 83 83 GLY H H 95 8.673 8.673 8.967 -0.294 18522 5036 1 9 . 1 1 84 84 GLU N N 96 121.485 121.485 121.029 0.456 18522 5037 1 9 . 1 1 84 84 GLU HA H 96 4.749 4.749 5.014 -0.265 18522 5038 1 9 . 1 1 84 84 GLU C C 96 174.583 174.583 174.514 0.069 18522 5039 1 9 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.769 1.052 18522 5040 1 9 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.796 -2.386 18522 5041 1 9 . 1 1 84 84 GLU H H 96 8.297 8.297 7.710 0.587 18522 5042 1 9 . 1 1 85 85 VAL N N 97 120.501 120.501 112.456 8.045 18522 5043 1 9 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.572 0.093 18522 5044 1 9 . 1 1 85 85 VAL C C 97 173.047 173.047 174.090 -1.043 18522 5045 1 9 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.849 -0.735 18522 5046 1 9 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.300 -0.116 18522 5047 1 9 . 1 1 85 85 VAL H H 97 9.096 9.096 8.139 0.957 18522 5048 1 9 . 1 1 86 86 THR N N 98 125.019 125.019 120.439 4.580 18522 5049 1 9 . 1 1 86 86 THR HA H 98 4.076 4.076 4.786 -0.710 18522 5050 1 9 . 1 1 86 86 THR C C 98 173.807 173.807 173.555 0.252 18522 5051 1 9 . 1 1 86 86 THR CA C 98 61.735 61.735 61.370 0.365 18522 5052 1 9 . 1 1 86 86 THR CB C 98 69.531 69.531 69.881 -0.350 18522 5053 1 9 . 1 1 86 86 THR H H 98 9.352 9.352 8.124 1.228 18522 5054 1 9 . 1 1 87 87 ILE N N 99 128.383 128.383 123.821 4.562 18522 5055 1 9 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.637 0.024 18522 5056 1 9 . 1 1 87 87 ILE C C 99 174.614 174.614 174.556 0.058 18522 5057 1 9 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.692 -1.434 18522 5058 1 9 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.782 -0.254 18522 5059 1 9 . 1 1 87 87 ILE H H 99 9.329 9.329 8.114 1.215 18522 5060 1 9 . 1 1 88 88 HIS N N 100 128.279 128.279 125.427 2.852 18522 5061 1 9 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.043 -0.095 18522 5062 1 9 . 1 1 88 88 HIS C C 100 174.787 174.787 173.503 1.284 18522 5063 1 9 . 1 1 88 88 HIS CA C 100 54.620 54.620 55.587 -0.967 18522 5064 1 9 . 1 1 88 88 HIS H H 100 8.647 8.647 8.259 0.388 18522 5065 1 9 . 1 1 89 89 TYR N N 101 121.320 121.320 125.603 -4.283 18522 5066 1 9 . 1 1 89 89 TYR HA H 101 5.947 5.947 4.646 1.301 18522 5067 1 9 . 1 1 89 89 TYR C C 101 173.769 173.769 173.149 0.620 18522 5068 1 9 . 1 1 89 89 TYR CA C 101 55.669 55.669 58.218 -2.549 18522 5069 1 9 . 1 1 89 89 TYR CB C 101 42.195 42.195 41.149 1.046 18522 5070 1 9 . 1 1 89 89 TYR H H 101 8.414 8.414 9.200 -0.786 18522 5071 1 9 . 1 1 90 90 ASN N N 102 116.679 116.679 114.771 1.908 18522 5072 1 9 . 1 1 90 90 ASN HA H 102 5.335 5.335 4.808 0.527 18522 5073 1 9 . 1 1 90 90 ASN C C 102 175.406 175.406 172.868 2.538 18522 5074 1 9 . 1 1 90 90 ASN CA C 102 51.961 51.961 53.063 -1.102 18522 5075 1 9 . 1 1 90 90 ASN CB C 102 41.800 41.800 40.811 0.989 18522 5076 1 9 . 1 1 90 90 ASN H H 102 9.282 9.282 7.686 1.596 18522 5077 1 9 . 1 1 91 91 LYS N N 103 124.129 124.129 120.895 3.234 18522 5078 1 9 . 1 1 91 91 LYS C C 103 176.678 176.678 175.973 0.705 18522 5079 1 9 . 1 1 91 91 LYS CA C 103 55.006 55.006 54.431 0.576 18522 5080 1 9 . 1 1 91 91 LYS H H 103 8.949 8.949 8.134 0.815 18522 5081 1 9 . 1 1 92 92 LEU N N 104 127.043 127.043 114.434 12.609 18522 5082 1 9 . 1 1 92 92 LEU HA H 104 4.425 4.425 3.910 0.515 18522 5083 1 9 . 1 1 92 92 LEU CA C 104 55.060 55.060 55.711 -0.651 18522 5084 1 9 . 1 1 92 92 LEU CB C 104 42.559 42.559 40.469 2.090 18522 5085 1 9 . 1 1 92 92 LEU H H 104 9.150 9.150 8.240 0.910 18522 5086 1 9 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.157 0.158 18522 5087 1 9 . 1 1 93 93 GLN C C 105 175.070 175.070 175.231 -0.161 18522 5088 1 9 . 1 1 93 93 GLN CA C 105 55.490 55.490 56.543 -1.053 18522 5089 1 9 . 1 1 93 93 GLN CB C 105 28.909 28.909 29.480 -0.571 18522 5090 1 9 . 1 1 94 94 ALA N N 106 125.133 125.133 120.057 5.076 18522 5091 1 9 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.446 -0.080 18522 5092 1 9 . 1 1 94 94 ALA C C 106 176.392 176.392 175.270 1.122 18522 5093 1 9 . 1 1 94 94 ALA CA C 106 51.723 51.723 51.637 0.086 18522 5094 1 9 . 1 1 94 94 ALA CB C 106 20.185 20.185 20.725 -0.540 18522 5095 1 9 . 1 1 94 94 ALA H H 106 8.226 8.226 7.568 0.658 18522 5096 1 9 . 1 1 95 95 ASP N N 107 122.013 122.013 119.501 2.512 18522 5097 1 9 . 1 1 95 95 ASP HA H 107 4.413 4.413 5.041 -0.628 18522 5098 1 9 . 1 1 95 95 ASP C C 107 175.019 175.019 175.388 -0.369 18522 5099 1 9 . 1 1 95 95 ASP CA C 107 55.642 55.642 51.800 3.842 18522 5100 1 9 . 1 1 95 95 ASP CB C 107 41.266 41.266 43.659 -2.393 18522 5101 1 9 . 1 1 95 95 ASP H H 107 8.429 8.429 8.334 0.095 18522 5102 1 9 . 1 1 96 96 PRO HA H 108 4.207 4.207 4.031 0.176 18522 5103 1 9 . 1 1 96 96 PRO C C 108 178.840 178.840 178.267 0.573 18522 5104 1 9 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.301 -0.905 18522 5105 1 9 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.572 0.609 18522 5106 1 9 . 1 1 97 97 LYS N N 109 117.942 117.942 114.714 3.228 18522 5107 1 9 . 1 1 97 97 LYS HA H 109 4.143 4.143 3.993 0.150 18522 5108 1 9 . 1 1 97 97 LYS C C 109 178.099 178.099 178.647 -0.548 18522 5109 1 9 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.005 -0.838 18522 5110 1 9 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.314 0.335 18522 5111 1 9 . 1 1 97 97 LYS H H 109 8.335 8.335 8.289 0.046 18522 5112 1 9 . 1 1 98 98 GLN N N 110 119.159 119.159 117.076 2.083 18522 5113 1 9 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.465 -0.335 18522 5114 1 9 . 1 1 98 98 GLN C C 110 178.298 178.298 177.816 0.482 18522 5115 1 9 . 1 1 98 98 GLN CA C 110 57.660 57.660 56.341 1.319 18522 5116 1 9 . 1 1 98 98 GLN CB C 110 28.720 28.720 29.068 -0.348 18522 5117 1 9 . 1 1 98 98 GLN H H 110 7.985 7.985 8.101 -0.116 18522 5118 1 9 . 1 1 99 99 LEU N N 111 120.490 120.490 122.978 -2.488 18522 5119 1 9 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.188 -0.311 18522 5120 1 9 . 1 1 99 99 LEU C C 111 177.729 177.729 178.004 -0.275 18522 5121 1 9 . 1 1 99 99 LEU CA C 111 57.049 57.049 58.057 -1.008 18522 5122 1 9 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.631 -0.165 18522 5123 1 9 . 1 1 99 99 LEU H H 111 7.994 7.994 8.457 -0.463 18522 5124 1 9 . 1 1 100 100 GLU N N 112 118.251 118.251 117.279 0.972 18522 5125 1 9 . 1 1 100 100 GLU HA H 112 3.972 3.972 3.873 0.099 18522 5126 1 9 . 1 1 100 100 GLU C C 112 178.402 178.402 178.027 0.375 18522 5127 1 9 . 1 1 100 100 GLU CA C 112 59.056 59.056 58.591 0.465 18522 5128 1 9 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.016 0.716 18522 5129 1 9 . 1 1 100 100 GLU H H 112 7.760 7.760 7.791 -0.031 18522 5130 1 9 . 1 1 101 101 VAL N N 113 117.229 117.229 118.582 -1.353 18522 5131 1 9 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.934 -0.172 18522 5132 1 9 . 1 1 101 101 VAL C C 113 178.107 178.107 177.082 1.025 18522 5133 1 9 . 1 1 101 101 VAL CA C 113 64.791 64.791 64.578 0.214 18522 5134 1 9 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.908 0.241 18522 5135 1 9 . 1 1 101 101 VAL H H 113 7.437 7.437 7.415 0.022 18522 5136 1 9 . 1 1 102 102 LEU N N 114 122.124 122.124 117.261 4.863 18522 5137 1 9 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.361 -0.328 18522 5138 1 9 . 1 1 102 102 LEU C C 114 178.506 178.506 179.321 -0.815 18522 5139 1 9 . 1 1 102 102 LEU CA C 114 57.243 57.243 55.527 1.716 18522 5140 1 9 . 1 1 102 102 LEU CB C 114 42.028 42.028 42.296 -0.268 18522 5141 1 9 . 1 1 102 102 LEU H H 114 7.765 7.765 8.123 -0.358 18522 5142 1 9 . 1 1 103 103 PHE N N 115 115.346 115.346 121.659 -6.313 18522 5143 1 9 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.352 -0.128 18522 5144 1 9 . 1 1 103 103 PHE C C 115 175.621 175.621 174.444 1.177 18522 5145 1 9 . 1 1 103 103 PHE CA C 115 57.537 57.537 56.525 1.012 18522 5146 1 9 . 1 1 103 103 PHE CB C 115 38.057 38.057 36.784 1.273 18522 5147 1 9 . 1 1 103 103 PHE H H 115 7.805 7.805 7.880 -0.075 18522 5148 1 9 . 1 1 104 104 GLN N N 116 119.021 119.021 120.873 -1.852 18522 5149 1 9 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.152 0.255 18522 5150 1 9 . 1 1 104 104 GLN C C 116 176.402 176.402 175.956 0.446 18522 5151 1 9 . 1 1 104 104 GLN CA C 116 55.521 55.521 56.171 -0.650 18522 5152 1 9 . 1 1 104 104 GLN CB C 116 29.170 29.170 27.833 1.337 18522 5153 1 9 . 1 1 104 104 GLN H H 116 7.974 7.974 8.348 -0.374 18522 5154 1 9 . 1 1 105 105 GLY N N 117 108.868 108.868 112.391 -3.523 18522 5155 1 9 . 1 1 105 105 GLY CA C 117 45.124 45.124 45.809 -0.685 18522 5156 1 9 . 1 1 105 105 GLY H H 117 8.195 8.195 8.260 -0.065 18522 5157 1 9 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.207 0.283 18522 5158 1 9 . 1 1 106 106 PRO C C 118 176.001 176.001 177.417 -1.416 18522 5159 1 9 . 1 1 106 106 PRO CA C 118 63.523 63.523 64.142 -0.619 18522 5160 1 9 . 1 1 106 106 PRO CB C 118 32.078 32.078 31.790 0.288 18522 5161 1 9 . 1 1 107 107 GLN N N 119 126.950 126.950 118.387 8.563 18522 5162 1 9 . 1 1 107 107 GLN C C 119 181.211 181.211 176.807 4.404 18522 5163 1 9 . 1 1 107 107 GLN CA C 119 57.416 57.416 55.119 2.297 18522 5164 1 9 . 1 1 107 107 GLN H H 119 8.079 8.079 8.211 -0.132 18522 5165 1 9 . 1 1 111 111 ARG C C 123 174.608 174.608 174.848 -0.240 18522 5166 1 9 . 1 1 111 111 ARG CA C 123 55.099 55.099 56.917 -1.818 18522 5167 1 9 . 1 1 112 112 HIS N N 124 122.212 122.212 114.562 7.650 18522 5168 1 9 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.359 0.359 18522 5169 1 9 . 1 1 112 112 HIS C C 124 176.040 176.040 174.218 1.822 18522 5170 1 9 . 1 1 112 112 HIS CA C 124 54.213 54.213 56.046 -1.833 18522 5171 1 9 . 1 1 112 112 HIS CB C 124 31.164 31.164 29.068 2.096 18522 5172 1 9 . 1 1 112 112 HIS H H 124 7.640 7.640 8.386 -0.746 18522 5173 1 9 . 1 1 113 113 TRP C C 125 176.168 176.168 175.140 1.028 18522 5174 1 9 . 1 1 114 114 LEU N N 126 121.893 121.893 129.886 -7.993 18522 5175 1 9 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.516 0.353 18522 5176 1 9 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.474 0.677 18522 5177 1 9 . 1 1 114 114 LEU CB C 126 45.144 45.144 44.240 0.904 18522 5178 1 9 . 1 1 114 114 LEU H H 126 8.606 8.606 7.988 0.618 18522 5179 1 9 . 1 1 115 115 LYS N N 127 125.850 125.850 124.274 1.576 18522 5180 1 9 . 1 1 115 115 LYS HA H 127 4.203 4.203 4.663 -0.460 18522 5181 1 9 . 1 1 115 115 LYS C C 127 175.564 175.564 174.156 1.408 18522 5182 1 9 . 1 1 115 115 LYS CA C 127 57.252 57.252 54.892 2.361 18522 5183 1 9 . 1 1 115 115 LYS CB C 127 33.406 33.406 35.074 -1.668 18522 5184 1 9 . 1 1 115 115 LYS H H 127 8.647 8.647 7.984 0.663 18522 5185 1 10 . 1 1 3 3 PRO C C 15 177.225 177.225 177.015 0.210 18522 5186 1 10 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.645 0.863 18522 5187 1 10 . 1 1 3 3 PRO CB C 15 32.090 32.090 31.790 0.300 18522 5188 1 10 . 1 1 4 4 GLY N N 16 108.829 108.829 113.811 -4.982 18522 5189 1 10 . 1 1 4 4 GLY C C 16 173.398 173.398 174.592 -1.194 18522 5190 1 10 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.506 0.622 18522 5191 1 10 . 1 1 4 4 GLY H H 16 8.489 8.489 8.430 0.059 18522 5192 1 10 . 1 1 5 5 ILE N N 17 121.763 121.763 120.076 1.687 18522 5193 1 10 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.559 -0.005 18522 5194 1 10 . 1 1 5 5 ILE C C 17 174.332 174.332 173.982 0.350 18522 5195 1 10 . 1 1 5 5 ILE CA C 17 58.245 58.245 58.325 -0.080 18522 5196 1 10 . 1 1 5 5 ILE CB C 17 38.762 38.762 37.664 1.098 18522 5197 1 10 . 1 1 5 5 ILE H H 17 8.014 8.014 7.745 0.269 18522 5198 1 10 . 1 1 6 6 PRO C C 18 176.437 176.437 176.350 0.087 18522 5199 1 10 . 1 1 6 6 PRO CA C 18 62.667 62.667 62.452 0.215 18522 5200 1 10 . 1 1 6 6 PRO CB C 18 32.469 32.469 32.006 0.463 18522 5201 1 10 . 1 1 7 7 VAL N N 19 123.849 123.849 118.659 5.190 18522 5202 1 10 . 1 1 7 7 VAL HA H 19 4.550 4.550 3.965 0.585 18522 5203 1 10 . 1 1 7 7 VAL C C 19 174.453 174.453 174.564 -0.111 18522 5204 1 10 . 1 1 7 7 VAL CA C 19 59.846 59.846 61.643 -1.797 18522 5205 1 10 . 1 1 7 7 VAL CB C 19 33.510 33.510 30.519 2.991 18522 5206 1 10 . 1 1 7 7 VAL H H 19 8.754 8.754 8.206 0.548 18522 5207 1 10 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.321 1.017 18522 5208 1 10 . 1 1 8 8 PRO C C 20 177.585 177.585 176.641 0.944 18522 5209 1 10 . 1 1 8 8 PRO CA C 20 62.406 62.406 63.182 -0.777 18522 5210 1 10 . 1 1 8 8 PRO CB C 20 32.891 32.891 31.804 1.087 18522 5211 1 10 . 1 1 9 9 GLY N N 21 108.426 108.426 112.205 -3.779 18522 5212 1 10 . 1 1 9 9 GLY C C 21 171.443 171.443 172.060 -0.617 18522 5213 1 10 . 1 1 9 9 GLY CA C 21 44.581 44.581 44.694 -0.113 18522 5214 1 10 . 1 1 9 9 GLY H H 21 8.258 8.258 8.265 -0.007 18522 5215 1 10 . 1 1 10 10 LYS N N 22 117.372 117.372 122.460 -5.088 18522 5216 1 10 . 1 1 10 10 LYS HA H 22 4.039 4.039 4.586 -0.547 18522 5217 1 10 . 1 1 10 10 LYS C C 22 174.463 174.463 174.486 -0.023 18522 5218 1 10 . 1 1 10 10 LYS CA C 22 55.263 55.263 55.561 -0.298 18522 5219 1 10 . 1 1 10 10 LYS CB C 22 35.227 35.227 34.039 1.188 18522 5220 1 10 . 1 1 10 10 LYS H H 22 8.175 8.175 8.140 0.035 18522 5221 1 10 . 1 1 11 11 VAL N N 23 120.387 120.387 116.592 3.795 18522 5222 1 10 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.588 0.120 18522 5223 1 10 . 1 1 11 11 VAL C C 23 171.873 171.873 174.197 -2.324 18522 5224 1 10 . 1 1 11 11 VAL CA C 23 59.866 59.866 60.022 -0.156 18522 5225 1 10 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.537 -0.268 18522 5226 1 10 . 1 1 11 11 VAL H H 23 8.862 8.862 8.153 0.709 18522 5227 1 10 . 1 1 12 12 THR N N 24 125.797 125.797 119.631 6.166 18522 5228 1 10 . 1 1 12 12 THR HA H 24 5.121 5.121 4.960 0.161 18522 5229 1 10 . 1 1 12 12 THR C C 24 173.407 173.407 173.733 -0.326 18522 5230 1 10 . 1 1 12 12 THR CA C 24 62.115 62.115 60.865 1.250 18522 5231 1 10 . 1 1 12 12 THR CB C 24 69.606 69.606 68.539 1.067 18522 5232 1 10 . 1 1 12 12 THR H H 24 8.859 8.859 8.281 0.578 18522 5233 1 10 . 1 1 13 13 LEU N N 25 127.960 127.960 127.322 0.638 18522 5234 1 10 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.817 -0.008 18522 5235 1 10 . 1 1 13 13 LEU C C 25 175.029 175.029 175.594 -0.565 18522 5236 1 10 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.934 -0.311 18522 5237 1 10 . 1 1 13 13 LEU CB C 25 46.242 46.242 44.596 1.646 18522 5238 1 10 . 1 1 13 13 LEU H H 25 9.258 9.258 7.942 1.316 18522 5239 1 10 . 1 1 14 14 GLN N N 26 120.858 120.858 116.946 3.912 18522 5240 1 10 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.613 -0.131 18522 5241 1 10 . 1 1 14 14 GLN C C 26 174.515 174.515 175.535 -1.020 18522 5242 1 10 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.494 0.082 18522 5243 1 10 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.826 -2.310 18522 5244 1 10 . 1 1 14 14 GLN H H 26 8.530 8.530 8.338 0.192 18522 5245 1 10 . 1 1 15 15 LYS N N 27 119.583 119.583 123.248 -3.665 18522 5246 1 10 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.365 -0.185 18522 5247 1 10 . 1 1 15 15 LYS C C 27 177.468 177.468 177.042 0.426 18522 5248 1 10 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.555 -0.599 18522 5249 1 10 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.303 1.796 18522 5250 1 10 . 1 1 15 15 LYS H H 27 8.099 8.099 8.458 -0.359 18522 5251 1 10 . 1 1 16 16 ASP N N 28 121.439 121.439 121.528 -0.089 18522 5252 1 10 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.659 -0.069 18522 5253 1 10 . 1 1 16 16 ASP C C 28 178.392 178.392 177.639 0.753 18522 5254 1 10 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.327 -0.901 18522 5255 1 10 . 1 1 16 16 ASP CB C 28 41.377 41.377 41.395 -0.018 18522 5256 1 10 . 1 1 16 16 ASP H H 28 8.888 8.888 8.593 0.295 18522 5257 1 10 . 1 1 17 17 ALA N N 29 119.578 119.578 120.565 -0.987 18522 5258 1 10 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.146 0.042 18522 5259 1 10 . 1 1 17 17 ALA C C 29 178.763 178.763 178.433 0.330 18522 5260 1 10 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.551 -0.117 18522 5261 1 10 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.677 -0.384 18522 5262 1 10 . 1 1 17 17 ALA H H 29 8.392 8.392 8.401 -0.009 18522 5263 1 10 . 1 1 18 18 GLN N N 30 117.564 117.564 116.832 0.732 18522 5264 1 10 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.281 0.118 18522 5265 1 10 . 1 1 18 18 GLN C C 30 175.168 175.168 175.603 -0.435 18522 5266 1 10 . 1 1 18 18 GLN CA C 30 55.339 55.339 54.850 0.489 18522 5267 1 10 . 1 1 18 18 GLN CB C 30 28.589 28.589 28.892 -0.303 18522 5268 1 10 . 1 1 18 18 GLN H H 30 8.353 8.353 8.406 -0.053 18522 5269 1 10 . 1 1 19 19 ASN N N 31 115.365 115.365 116.464 -1.099 18522 5270 1 10 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.384 -0.069 18522 5271 1 10 . 1 1 19 19 ASN C C 31 174.043 174.043 173.484 0.559 18522 5272 1 10 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.412 -0.109 18522 5273 1 10 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.477 0.133 18522 5274 1 10 . 1 1 19 19 ASN H H 31 8.521 8.521 7.795 0.726 18522 5275 1 10 . 1 1 20 20 LEU N N 32 118.660 118.660 112.039 6.621 18522 5276 1 10 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.937 -0.037 18522 5277 1 10 . 1 1 20 20 LEU C C 32 178.117 178.117 176.349 1.768 18522 5278 1 10 . 1 1 20 20 LEU CA C 32 53.957 53.957 52.976 0.981 18522 5279 1 10 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.579 1.195 18522 5280 1 10 . 1 1 20 20 LEU H H 32 8.155 8.155 8.376 -0.221 18522 5281 1 10 . 1 1 21 21 ILE N N 33 116.785 116.785 116.523 0.262 18522 5282 1 10 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.399 0.275 18522 5283 1 10 . 1 1 21 21 ILE C C 33 176.185 176.185 176.717 -0.532 18522 5284 1 10 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.562 1.040 18522 5285 1 10 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.383 -0.367 18522 5286 1 10 . 1 1 21 21 ILE H H 33 11.488 11.488 8.411 3.077 18522 5287 1 10 . 1 1 22 22 GLY N N 34 111.234 111.234 107.071 4.163 18522 5288 1 10 . 1 1 22 22 GLY C C 34 173.993 173.993 173.317 0.676 18522 5289 1 10 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.358 0.621 18522 5290 1 10 . 1 1 22 22 GLY H H 34 9.854 9.854 8.516 1.338 18522 5291 1 10 . 1 1 23 23 ILE N N 35 111.117 111.117 113.004 -1.887 18522 5292 1 10 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.527 0.008 18522 5293 1 10 . 1 1 23 23 ILE C C 35 175.033 175.033 174.078 0.955 18522 5294 1 10 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.733 0.682 18522 5295 1 10 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.711 -0.133 18522 5296 1 10 . 1 1 23 23 ILE H H 35 7.835 7.835 7.439 0.396 18522 5297 1 10 . 1 1 24 24 SER N N 36 114.908 114.908 115.720 -0.812 18522 5298 1 10 . 1 1 24 24 SER HA H 36 4.232 4.232 5.018 -0.786 18522 5299 1 10 . 1 1 24 24 SER C C 36 174.735 174.735 172.910 1.825 18522 5300 1 10 . 1 1 24 24 SER CA C 36 56.121 56.121 57.214 -1.093 18522 5301 1 10 . 1 1 24 24 SER CB C 36 66.097 66.097 65.549 0.548 18522 5302 1 10 . 1 1 24 24 SER H H 36 8.623 8.623 8.373 0.250 18522 5303 1 10 . 1 1 25 25 ILE N N 37 117.739 117.739 124.965 -7.226 18522 5304 1 10 . 1 1 25 25 ILE C C 37 174.340 174.340 174.724 -0.384 18522 5305 1 10 . 1 1 25 25 ILE CA C 37 59.123 59.123 60.563 -1.440 18522 5306 1 10 . 1 1 25 25 ILE CB C 37 41.637 41.637 40.480 1.157 18522 5307 1 10 . 1 1 25 25 ILE H H 37 9.130 9.130 8.825 0.305 18522 5308 1 10 . 1 1 26 26 GLY N N 38 108.069 108.069 113.917 -5.848 18522 5309 1 10 . 1 1 26 26 GLY CA C 38 44.112 44.112 44.334 -0.223 18522 5310 1 10 . 1 1 26 26 GLY H H 38 8.841 8.841 8.161 0.680 18522 5311 1 10 . 1 1 27 27 GLY N N 39 109.016 109.016 110.869 -1.853 18522 5312 1 10 . 1 1 27 27 GLY C C 39 173.956 173.956 174.575 -0.619 18522 5313 1 10 . 1 1 27 27 GLY H H 39 8.187 8.187 8.208 -0.021 18522 5314 1 10 . 1 1 28 28 GLY N N 40 111.783 111.783 110.634 1.149 18522 5315 1 10 . 1 1 28 28 GLY C C 40 174.255 174.255 174.820 -0.565 18522 5316 1 10 . 1 1 28 28 GLY CA C 40 47.098 47.098 46.629 0.469 18522 5317 1 10 . 1 1 28 28 GLY H H 40 8.275 8.275 8.213 0.062 18522 5318 1 10 . 1 1 29 29 ALA N N 41 123.128 123.128 121.235 1.893 18522 5319 1 10 . 1 1 29 29 ALA HA H 41 4.559 4.559 3.854 0.705 18522 5320 1 10 . 1 1 29 29 ALA CA C 41 51.073 51.073 54.394 -3.321 18522 5321 1 10 . 1 1 29 29 ALA CB C 41 21.926 21.926 17.219 4.707 18522 5322 1 10 . 1 1 29 29 ALA H H 41 8.012 8.012 7.295 0.717 18522 5323 1 10 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.376 0.173 18522 5324 1 10 . 1 1 31 31 TYR CA C 43 57.147 57.147 60.314 -3.167 18522 5325 1 10 . 1 1 31 31 TYR CB C 43 37.495 37.495 39.760 -2.264 18522 5326 1 10 . 1 1 32 32 CYS N N 44 119.332 119.332 113.150 6.182 18522 5327 1 10 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.923 -0.064 18522 5328 1 10 . 1 1 32 32 CYS CA C 44 57.406 57.406 57.385 0.021 18522 5329 1 10 . 1 1 32 32 CYS CB C 44 27.673 27.673 30.306 -2.633 18522 5330 1 10 . 1 1 32 32 CYS H H 44 7.504 7.504 7.855 -0.351 18522 5331 1 10 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.620 -0.207 18522 5332 1 10 . 1 1 33 33 PRO CA C 45 64.885 64.885 63.714 1.171 18522 5333 1 10 . 1 1 33 33 PRO CB C 45 32.318 32.318 29.317 3.001 18522 5334 1 10 . 1 1 34 34 CYS N N 46 117.327 117.327 116.043 1.284 18522 5335 1 10 . 1 1 34 34 CYS C C 46 172.064 172.064 174.285 -2.221 18522 5336 1 10 . 1 1 34 34 CYS CA C 46 60.066 60.066 57.576 2.490 18522 5337 1 10 . 1 1 34 34 CYS CB C 46 28.715 28.715 29.638 -0.923 18522 5338 1 10 . 1 1 34 34 CYS H H 46 7.973 7.973 8.313 -0.340 18522 5339 1 10 . 1 1 35 35 LEU N N 47 124.270 124.270 118.564 5.706 18522 5340 1 10 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.103 0.825 18522 5341 1 10 . 1 1 35 35 LEU C C 47 175.076 175.076 175.738 -0.662 18522 5342 1 10 . 1 1 35 35 LEU CA C 47 53.278 53.278 57.503 -4.225 18522 5343 1 10 . 1 1 35 35 LEU CB C 47 44.321 44.321 40.314 4.007 18522 5344 1 10 . 1 1 35 35 LEU H H 47 8.629 8.629 8.558 0.071 18522 5345 1 10 . 1 1 36 36 TYR N N 48 119.326 119.326 111.782 7.544 18522 5346 1 10 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.962 0.293 18522 5347 1 10 . 1 1 36 36 TYR C C 48 175.766 175.766 173.318 2.448 18522 5348 1 10 . 1 1 36 36 TYR CA C 48 56.696 56.696 56.138 0.558 18522 5349 1 10 . 1 1 36 36 TYR CB C 48 42.590 42.590 40.273 2.317 18522 5350 1 10 . 1 1 36 36 TYR H H 48 8.761 8.761 7.341 1.420 18522 5351 1 10 . 1 1 37 37 ILE N N 49 120.259 120.259 121.533 -1.274 18522 5352 1 10 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.613 -0.398 18522 5353 1 10 . 1 1 37 37 ILE C C 49 177.429 177.429 176.161 1.268 18522 5354 1 10 . 1 1 37 37 ILE CA C 49 62.456 62.456 59.714 2.742 18522 5355 1 10 . 1 1 37 37 ILE CB C 49 37.352 37.352 40.440 -3.088 18522 5356 1 10 . 1 1 37 37 ILE H H 49 8.959 8.959 8.640 0.319 18522 5357 1 10 . 1 1 38 38 VAL HA H 50 3.937 3.937 4.474 -0.537 18522 5358 1 10 . 1 1 38 38 VAL C C 50 174.408 174.408 175.564 -1.156 18522 5359 1 10 . 1 1 38 38 VAL CA C 50 62.259 62.259 62.283 -0.024 18522 5360 1 10 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.339 -0.755 18522 5361 1 10 . 1 1 39 39 GLN N N 51 116.821 116.821 118.550 -1.729 18522 5362 1 10 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.500 -0.397 18522 5363 1 10 . 1 1 39 39 GLN C C 51 172.856 172.856 172.928 -0.072 18522 5364 1 10 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.632 -0.505 18522 5365 1 10 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.632 -0.256 18522 5366 1 10 . 1 1 39 39 GLN H H 51 6.967 6.967 7.552 -0.585 18522 5367 1 10 . 1 1 40 40 VAL N N 52 123.482 123.482 120.828 2.654 18522 5368 1 10 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.983 -0.706 18522 5369 1 10 . 1 1 40 40 VAL C C 52 176.198 176.198 174.067 2.131 18522 5370 1 10 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.754 1.820 18522 5371 1 10 . 1 1 40 40 VAL CB C 52 32.875 32.875 35.839 -2.964 18522 5372 1 10 . 1 1 40 40 VAL H H 52 8.447 8.447 8.193 0.254 18522 5373 1 10 . 1 1 41 41 PHE N N 53 128.296 128.296 122.969 5.327 18522 5374 1 10 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.810 -0.410 18522 5375 1 10 . 1 1 41 41 PHE C C 53 175.299 175.299 176.102 -0.803 18522 5376 1 10 . 1 1 41 41 PHE CA C 53 58.494 58.494 57.016 1.478 18522 5377 1 10 . 1 1 41 41 PHE CB C 53 39.561 39.561 40.831 -1.270 18522 5378 1 10 . 1 1 41 41 PHE H H 53 8.707 8.707 8.588 0.119 18522 5379 1 10 . 1 1 42 42 ASP N N 54 122.696 122.696 123.426 -0.730 18522 5380 1 10 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.331 -0.059 18522 5381 1 10 . 1 1 42 42 ASP C C 54 176.837 176.837 176.330 0.507 18522 5382 1 10 . 1 1 42 42 ASP CA C 54 55.291 55.291 56.836 -1.545 18522 5383 1 10 . 1 1 42 42 ASP CB C 54 41.093 41.093 41.038 0.055 18522 5384 1 10 . 1 1 42 42 ASP H H 54 8.901 8.901 9.023 -0.122 18522 5385 1 10 . 1 1 43 43 ASN N N 55 113.923 113.923 113.035 0.888 18522 5386 1 10 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.805 -0.547 18522 5387 1 10 . 1 1 43 43 ASN C C 55 173.714 173.714 175.185 -1.471 18522 5388 1 10 . 1 1 43 43 ASN CA C 55 54.958 54.958 52.945 2.013 18522 5389 1 10 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.215 -2.065 18522 5390 1 10 . 1 1 43 43 ASN H H 55 9.319 9.319 8.060 1.259 18522 5391 1 10 . 1 1 44 44 THR N N 56 108.020 108.020 114.050 -6.030 18522 5392 1 10 . 1 1 44 44 THR HA H 56 5.377 5.377 4.830 0.547 18522 5393 1 10 . 1 1 44 44 THR CA C 56 59.712 59.712 59.595 0.117 18522 5394 1 10 . 1 1 44 44 THR CB C 56 69.529 69.529 70.544 -1.015 18522 5395 1 10 . 1 1 44 44 THR H H 56 7.149 7.149 7.864 -0.715 18522 5396 1 10 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.091 0.213 18522 5397 1 10 . 1 1 45 45 PRO C C 57 180.141 180.141 178.298 1.843 18522 5398 1 10 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.669 0.421 18522 5399 1 10 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.441 1.754 18522 5400 1 10 . 1 1 46 46 ALA N N 58 116.854 116.854 120.325 -3.471 18522 5401 1 10 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.003 0.032 18522 5402 1 10 . 1 1 46 46 ALA C C 58 180.647 180.647 179.488 1.159 18522 5403 1 10 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.282 -0.087 18522 5404 1 10 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.140 0.740 18522 5405 1 10 . 1 1 46 46 ALA H H 58 8.938 8.938 7.929 1.009 18522 5406 1 10 . 1 1 47 47 ALA N N 59 123.250 123.250 120.963 2.287 18522 5407 1 10 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.159 -0.129 18522 5408 1 10 . 1 1 47 47 ALA C C 59 179.852 179.852 179.706 0.146 18522 5409 1 10 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.609 0.330 18522 5410 1 10 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.451 1.237 18522 5411 1 10 . 1 1 47 47 ALA H H 59 7.658 7.658 7.447 0.211 18522 5412 1 10 . 1 1 48 48 LEU N N 60 118.654 118.654 119.641 -0.987 18522 5413 1 10 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.132 -0.106 18522 5414 1 10 . 1 1 48 48 LEU C C 60 179.238 179.238 178.630 0.608 18522 5415 1 10 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.125 -0.864 18522 5416 1 10 . 1 1 48 48 LEU CB C 60 41.445 41.445 40.837 0.608 18522 5417 1 10 . 1 1 48 48 LEU H H 60 8.636 8.636 8.465 0.171 18522 5418 1 10 . 1 1 49 49 ASP N N 61 117.382 117.382 116.968 0.414 18522 5419 1 10 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.642 -0.221 18522 5420 1 10 . 1 1 49 49 ASP C C 61 177.668 177.668 177.973 -0.305 18522 5421 1 10 . 1 1 49 49 ASP CA C 61 57.087 57.087 55.002 2.085 18522 5422 1 10 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.823 2.655 18522 5423 1 10 . 1 1 49 49 ASP H H 61 7.665 7.665 7.874 -0.209 18522 5424 1 10 . 1 1 50 50 GLY N N 62 103.228 103.228 108.386 -5.158 18522 5425 1 10 . 1 1 50 50 GLY C C 62 174.776 174.776 175.366 -0.590 18522 5426 1 10 . 1 1 50 50 GLY CA C 62 46.533 46.533 45.978 0.555 18522 5427 1 10 . 1 1 50 50 GLY H H 62 7.216 7.216 8.526 -1.310 18522 5428 1 10 . 1 1 51 51 THR N N 63 117.230 117.230 110.827 6.403 18522 5429 1 10 . 1 1 51 51 THR HA H 63 3.907 3.907 3.846 0.061 18522 5430 1 10 . 1 1 51 51 THR C C 63 175.961 175.961 175.079 0.882 18522 5431 1 10 . 1 1 51 51 THR CA C 63 66.478 66.478 63.436 3.042 18522 5432 1 10 . 1 1 51 51 THR CB C 63 68.268 68.268 66.538 1.730 18522 5433 1 10 . 1 1 51 51 THR H H 63 8.319 8.319 8.048 0.271 18522 5434 1 10 . 1 1 52 52 VAL N N 64 113.826 113.826 117.312 -3.486 18522 5435 1 10 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.221 -0.271 18522 5436 1 10 . 1 1 52 52 VAL C C 64 173.883 173.883 175.033 -1.150 18522 5437 1 10 . 1 1 52 52 VAL CA C 64 60.708 60.708 60.953 -0.245 18522 5438 1 10 . 1 1 52 52 VAL CB C 64 33.079 33.079 29.742 3.337 18522 5439 1 10 . 1 1 52 52 VAL H H 64 8.147 8.147 7.502 0.645 18522 5440 1 10 . 1 1 53 53 ALA N N 65 123.521 123.521 125.238 -1.717 18522 5441 1 10 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.366 0.048 18522 5442 1 10 . 1 1 53 53 ALA C C 65 175.247 175.247 176.885 -1.638 18522 5443 1 10 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.704 -0.264 18522 5444 1 10 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.274 2.992 18522 5445 1 10 . 1 1 53 53 ALA H H 65 8.633 8.633 7.576 1.057 18522 5446 1 10 . 1 1 54 54 ALA N N 66 120.818 120.818 122.481 -1.663 18522 5447 1 10 . 1 1 54 54 ALA HA H 66 3.720 3.720 4.185 -0.465 18522 5448 1 10 . 1 1 54 54 ALA C C 66 178.411 178.411 178.249 0.162 18522 5449 1 10 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.352 -0.336 18522 5450 1 10 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.247 0.593 18522 5451 1 10 . 1 1 54 54 ALA H H 66 8.451 8.451 8.300 0.151 18522 5452 1 10 . 1 1 55 55 GLY N N 67 112.260 112.260 112.949 -0.689 18522 5453 1 10 . 1 1 55 55 GLY C C 67 173.296 173.296 173.930 -0.634 18522 5454 1 10 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.772 0.253 18522 5455 1 10 . 1 1 55 55 GLY H H 67 9.600 9.600 8.363 1.237 18522 5456 1 10 . 1 1 56 56 ASP N N 68 121.293 121.293 122.287 -0.994 18522 5457 1 10 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.770 0.091 18522 5458 1 10 . 1 1 56 56 ASP C C 68 174.937 174.937 174.552 0.385 18522 5459 1 10 . 1 1 56 56 ASP CA C 68 55.641 55.641 54.052 1.589 18522 5460 1 10 . 1 1 56 56 ASP CB C 68 40.696 40.696 43.331 -2.635 18522 5461 1 10 . 1 1 56 56 ASP H H 68 8.043 8.043 8.031 0.012 18522 5462 1 10 . 1 1 57 57 GLU N N 69 122.814 122.814 120.065 2.749 18522 5463 1 10 . 1 1 57 57 GLU C C 69 177.202 177.202 175.770 1.432 18522 5464 1 10 . 1 1 57 57 GLU CA C 69 54.472 54.472 54.873 -0.402 18522 5465 1 10 . 1 1 57 57 GLU CB C 69 32.800 32.800 31.552 1.248 18522 5466 1 10 . 1 1 57 57 GLU H H 69 8.455 8.455 8.149 0.306 18522 5467 1 10 . 1 1 58 58 ILE N N 70 125.862 125.862 124.946 0.916 18522 5468 1 10 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.604 -0.078 18522 5469 1 10 . 1 1 58 58 ILE C C 70 175.035 175.035 175.175 -0.140 18522 5470 1 10 . 1 1 58 58 ILE CA C 70 60.918 60.918 59.920 0.998 18522 5471 1 10 . 1 1 58 58 ILE CB C 70 39.236 39.236 38.508 0.728 18522 5472 1 10 . 1 1 58 58 ILE H H 70 8.619 8.619 8.352 0.267 18522 5473 1 10 . 1 1 59 59 THR N N 71 115.507 115.507 121.223 -5.716 18522 5474 1 10 . 1 1 59 59 THR HA H 71 4.513 4.513 4.728 -0.215 18522 5475 1 10 . 1 1 59 59 THR C C 71 176.425 176.425 173.753 2.672 18522 5476 1 10 . 1 1 59 59 THR CA C 71 61.158 61.158 60.842 0.316 18522 5477 1 10 . 1 1 59 59 THR CB C 71 69.604 69.604 69.921 -0.317 18522 5478 1 10 . 1 1 59 59 THR H H 71 9.242 9.242 9.263 -0.021 18522 5479 1 10 . 1 1 60 60 GLY N N 72 111.789 111.789 108.573 3.216 18522 5480 1 10 . 1 1 60 60 GLY C C 72 170.981 170.981 171.434 -0.453 18522 5481 1 10 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.181 1.373 18522 5482 1 10 . 1 1 60 60 GLY H H 72 7.883 7.883 7.978 -0.095 18522 5483 1 10 . 1 1 61 61 VAL N N 73 119.277 119.277 115.564 3.713 18522 5484 1 10 . 1 1 61 61 VAL C C 73 175.951 175.951 176.392 -0.441 18522 5485 1 10 . 1 1 61 61 VAL CA C 73 60.982 60.982 58.602 2.380 18522 5486 1 10 . 1 1 61 61 VAL CB C 73 36.197 36.197 35.252 0.945 18522 5487 1 10 . 1 1 61 61 VAL H H 73 8.424 8.424 8.785 -0.361 18522 5488 1 10 . 1 1 62 62 ASN N N 74 127.731 127.731 122.386 5.345 18522 5489 1 10 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.291 0.229 18522 5490 1 10 . 1 1 62 62 ASN C C 74 174.878 174.878 175.467 -0.589 18522 5491 1 10 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.678 -0.260 18522 5492 1 10 . 1 1 62 62 ASN CB C 74 36.655 36.655 38.467 -1.812 18522 5493 1 10 . 1 1 62 62 ASN H H 74 10.384 10.384 9.260 1.124 18522 5494 1 10 . 1 1 63 63 GLY N N 75 104.633 104.633 104.838 -0.205 18522 5495 1 10 . 1 1 63 63 GLY C C 75 173.610 173.610 173.191 0.419 18522 5496 1 10 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.997 0.264 18522 5497 1 10 . 1 1 63 63 GLY H H 75 8.926 8.926 8.258 0.668 18522 5498 1 10 . 1 1 64 64 ARG N N 76 120.451 120.451 120.443 0.008 18522 5499 1 10 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.648 -0.147 18522 5500 1 10 . 1 1 64 64 ARG C C 76 175.085 175.085 175.327 -0.242 18522 5501 1 10 . 1 1 64 64 ARG CA C 76 54.252 54.252 53.931 0.321 18522 5502 1 10 . 1 1 64 64 ARG CB C 76 31.482 31.482 32.411 -0.929 18522 5503 1 10 . 1 1 64 64 ARG H H 76 7.753 7.753 8.091 -0.338 18522 5504 1 10 . 1 1 65 65 SER N N 77 116.586 116.586 118.139 -1.553 18522 5505 1 10 . 1 1 65 65 SER HA H 77 4.483 4.483 4.489 -0.006 18522 5506 1 10 . 1 1 65 65 SER C C 77 176.953 176.953 176.555 0.398 18522 5507 1 10 . 1 1 65 65 SER CA C 77 58.292 58.292 59.711 -1.419 18522 5508 1 10 . 1 1 65 65 SER CB C 77 63.643 63.643 63.491 0.152 18522 5509 1 10 . 1 1 65 65 SER H H 77 8.555 8.555 8.788 -0.233 18522 5510 1 10 . 1 1 66 66 ILE N N 78 116.618 116.618 120.086 -3.468 18522 5511 1 10 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.122 0.298 18522 5512 1 10 . 1 1 66 66 ILE C C 78 175.072 175.072 177.046 -1.974 18522 5513 1 10 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.695 -2.573 18522 5514 1 10 . 1 1 66 66 ILE CB C 78 36.758 36.758 36.881 -0.123 18522 5515 1 10 . 1 1 66 66 ILE H H 78 7.599 7.599 8.585 -0.986 18522 5516 1 10 . 1 1 67 67 LYS N N 79 123.287 123.287 121.976 1.311 18522 5517 1 10 . 1 1 67 67 LYS HA H 79 4.049 4.049 3.950 0.099 18522 5518 1 10 . 1 1 67 67 LYS C C 79 178.333 178.333 178.137 0.196 18522 5519 1 10 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.447 -0.126 18522 5520 1 10 . 1 1 67 67 LYS CB C 79 31.635 31.635 31.759 -0.124 18522 5521 1 10 . 1 1 67 67 LYS H H 79 7.898 7.898 8.328 -0.430 18522 5522 1 10 . 1 1 68 68 GLY N N 80 114.933 114.933 106.904 8.029 18522 5523 1 10 . 1 1 68 68 GLY C C 80 174.385 174.385 174.844 -0.459 18522 5524 1 10 . 1 1 68 68 GLY CA C 80 45.518 45.518 46.357 -0.839 18522 5525 1 10 . 1 1 68 68 GLY H H 80 8.999 8.999 7.701 1.298 18522 5526 1 10 . 1 1 69 69 LYS N N 81 119.403 119.403 117.413 1.990 18522 5527 1 10 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.549 -0.506 18522 5528 1 10 . 1 1 69 69 LYS C C 81 177.064 177.064 174.963 2.101 18522 5529 1 10 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.401 -0.679 18522 5530 1 10 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.147 0.414 18522 5531 1 10 . 1 1 69 69 LYS H H 81 7.845 7.845 8.067 -0.222 18522 5532 1 10 . 1 1 70 70 THR N N 82 112.066 112.066 113.975 -1.909 18522 5533 1 10 . 1 1 70 70 THR HA H 82 4.666 4.666 4.527 0.139 18522 5534 1 10 . 1 1 70 70 THR C C 82 175.955 175.955 174.445 1.510 18522 5535 1 10 . 1 1 70 70 THR CA C 82 60.438 60.438 60.538 -0.100 18522 5536 1 10 . 1 1 70 70 THR CB C 82 71.629 71.629 70.788 0.841 18522 5537 1 10 . 1 1 70 70 THR H H 82 9.153 9.153 7.714 1.439 18522 5538 1 10 . 1 1 71 71 LYS N N 83 118.730 118.730 123.687 -4.957 18522 5539 1 10 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.926 -0.056 18522 5540 1 10 . 1 1 71 71 LYS C C 83 177.464 177.464 178.284 -0.820 18522 5541 1 10 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.916 0.441 18522 5542 1 10 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.892 -0.542 18522 5543 1 10 . 1 1 71 71 LYS H H 83 8.969 8.969 8.786 0.183 18522 5544 1 10 . 1 1 72 72 VAL N N 84 117.444 117.444 119.043 -1.599 18522 5545 1 10 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.669 -0.036 18522 5546 1 10 . 1 1 72 72 VAL C C 84 178.315 178.315 177.490 0.825 18522 5547 1 10 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.742 0.337 18522 5548 1 10 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.610 0.481 18522 5549 1 10 . 1 1 72 72 VAL H H 84 7.631 7.631 8.252 -0.621 18522 5550 1 10 . 1 1 73 73 GLU N N 85 120.890 120.890 119.057 1.833 18522 5551 1 10 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.117 -0.153 18522 5552 1 10 . 1 1 73 73 GLU C C 85 179.971 179.971 178.884 1.087 18522 5553 1 10 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.194 0.122 18522 5554 1 10 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.585 0.770 18522 5555 1 10 . 1 1 73 73 GLU H H 85 7.617 7.617 7.664 -0.047 18522 5556 1 10 . 1 1 74 74 VAL N N 86 121.246 121.246 118.293 2.953 18522 5557 1 10 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.846 -0.216 18522 5558 1 10 . 1 1 74 74 VAL C C 86 177.217 177.217 177.624 -0.407 18522 5559 1 10 . 1 1 74 74 VAL CA C 86 66.678 66.678 65.356 1.323 18522 5560 1 10 . 1 1 74 74 VAL CB C 86 31.307 31.307 30.290 1.017 18522 5561 1 10 . 1 1 74 74 VAL H H 86 8.368 8.368 8.116 0.252 18522 5562 1 10 . 1 1 75 75 ALA N N 87 122.148 122.148 123.251 -1.103 18522 5563 1 10 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.915 0.032 18522 5564 1 10 . 1 1 75 75 ALA C C 87 179.545 179.545 179.245 0.300 18522 5565 1 10 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.559 0.292 18522 5566 1 10 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.951 0.540 18522 5567 1 10 . 1 1 75 75 ALA H H 87 8.577 8.577 8.503 0.074 18522 5568 1 10 . 1 1 76 76 LYS N N 88 117.733 117.733 118.984 -1.251 18522 5569 1 10 . 1 1 76 76 LYS HA H 88 4.051 4.051 3.997 0.054 18522 5570 1 10 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.339 0.054 18522 5571 1 10 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.277 -0.219 18522 5572 1 10 . 1 1 76 76 LYS H H 88 7.854 7.854 7.388 0.466 18522 5573 1 10 . 1 1 77 77 MET N N 89 117.676 117.676 119.174 -1.498 18522 5574 1 10 . 1 1 77 77 MET HA H 89 4.048 4.048 4.019 0.029 18522 5575 1 10 . 1 1 77 77 MET C C 89 178.791 178.791 178.783 0.008 18522 5576 1 10 . 1 1 77 77 MET CA C 89 59.128 59.128 59.361 -0.234 18522 5577 1 10 . 1 1 77 77 MET CB C 89 33.801 33.801 32.498 1.303 18522 5578 1 10 . 1 1 77 77 MET H H 89 7.759 7.759 7.893 -0.134 18522 5579 1 10 . 1 1 78 78 ILE N N 90 117.305 117.305 119.309 -2.004 18522 5580 1 10 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.672 -0.082 18522 5581 1 10 . 1 1 78 78 ILE C C 90 178.658 178.658 178.132 0.526 18522 5582 1 10 . 1 1 78 78 ILE CA C 90 65.482 65.482 64.964 0.518 18522 5583 1 10 . 1 1 78 78 ILE CB C 90 38.845 38.845 36.784 2.061 18522 5584 1 10 . 1 1 78 78 ILE H H 90 7.972 7.972 8.620 -0.648 18522 5585 1 10 . 1 1 79 79 GLN N N 91 120.935 120.935 118.743 2.192 18522 5586 1 10 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.228 -0.230 18522 5587 1 10 . 1 1 79 79 GLN C C 91 178.274 178.274 178.390 -0.116 18522 5588 1 10 . 1 1 79 79 GLN CA C 91 59.151 59.151 57.935 1.216 18522 5589 1 10 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.722 0.212 18522 5590 1 10 . 1 1 79 79 GLN H H 91 8.826 8.826 8.079 0.747 18522 5591 1 10 . 1 1 80 80 GLU N N 92 115.213 115.213 121.568 -6.355 18522 5592 1 10 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.069 -0.008 18522 5593 1 10 . 1 1 80 80 GLU C C 92 176.824 176.824 178.601 -1.777 18522 5594 1 10 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.209 -1.204 18522 5595 1 10 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.497 0.393 18522 5596 1 10 . 1 1 80 80 GLU H H 92 8.020 8.020 8.344 -0.324 18522 5597 1 10 . 1 1 81 81 VAL N N 93 119.047 119.047 115.262 3.785 18522 5598 1 10 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.818 0.112 18522 5599 1 10 . 1 1 81 81 VAL C C 93 176.016 176.016 175.649 0.367 18522 5600 1 10 . 1 1 81 81 VAL CA C 93 63.153 63.153 63.661 -0.508 18522 5601 1 10 . 1 1 81 81 VAL CB C 93 32.154 32.154 32.083 0.071 18522 5602 1 10 . 1 1 81 81 VAL H H 93 7.073 7.073 7.535 -0.462 18522 5603 1 10 . 1 1 82 82 LYS N N 94 128.366 128.366 117.848 10.518 18522 5604 1 10 . 1 1 82 82 LYS C C 94 177.460 177.460 177.268 0.192 18522 5605 1 10 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.116 -1.363 18522 5606 1 10 . 1 1 82 82 LYS CB C 94 32.332 32.332 32.282 0.049 18522 5607 1 10 . 1 1 82 82 LYS H H 94 8.762 8.762 7.317 1.445 18522 5608 1 10 . 1 1 83 83 GLY N N 95 112.528 112.528 112.506 0.022 18522 5609 1 10 . 1 1 83 83 GLY C C 95 173.468 173.468 173.214 0.254 18522 5610 1 10 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.623 0.620 18522 5611 1 10 . 1 1 83 83 GLY H H 95 8.673 8.673 8.782 -0.109 18522 5612 1 10 . 1 1 84 84 GLU N N 96 121.485 121.485 121.840 -0.355 18522 5613 1 10 . 1 1 84 84 GLU HA H 96 4.749 4.749 5.070 -0.321 18522 5614 1 10 . 1 1 84 84 GLU C C 96 174.583 174.583 174.852 -0.269 18522 5615 1 10 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.422 1.399 18522 5616 1 10 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.584 -2.174 18522 5617 1 10 . 1 1 84 84 GLU H H 96 8.297 8.297 7.856 0.441 18522 5618 1 10 . 1 1 85 85 VAL N N 97 120.501 120.501 114.088 6.413 18522 5619 1 10 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.570 0.095 18522 5620 1 10 . 1 1 85 85 VAL C C 97 173.047 173.047 174.008 -0.961 18522 5621 1 10 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.179 -0.065 18522 5622 1 10 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.491 -0.307 18522 5623 1 10 . 1 1 85 85 VAL H H 97 9.096 9.096 8.463 0.633 18522 5624 1 10 . 1 1 86 86 THR N N 98 125.019 125.019 118.695 6.324 18522 5625 1 10 . 1 1 86 86 THR HA H 98 4.076 4.076 4.899 -0.823 18522 5626 1 10 . 1 1 86 86 THR C C 98 173.807 173.807 174.189 -0.382 18522 5627 1 10 . 1 1 86 86 THR CA C 98 61.735 61.735 61.771 -0.036 18522 5628 1 10 . 1 1 86 86 THR CB C 98 69.531 69.531 69.693 -0.162 18522 5629 1 10 . 1 1 86 86 THR H H 98 9.352 9.352 8.260 1.092 18522 5630 1 10 . 1 1 87 87 ILE N N 99 128.383 128.383 123.527 4.856 18522 5631 1 10 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.623 0.038 18522 5632 1 10 . 1 1 87 87 ILE C C 99 174.614 174.614 174.907 -0.293 18522 5633 1 10 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.964 -1.706 18522 5634 1 10 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.729 -0.201 18522 5635 1 10 . 1 1 87 87 ILE H H 99 9.329 9.329 8.050 1.279 18522 5636 1 10 . 1 1 88 88 HIS N N 100 128.279 128.279 123.811 4.468 18522 5637 1 10 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.317 -0.369 18522 5638 1 10 . 1 1 88 88 HIS C C 100 174.787 174.787 173.865 0.922 18522 5639 1 10 . 1 1 88 88 HIS CA C 100 54.620 54.620 55.732 -1.112 18522 5640 1 10 . 1 1 88 88 HIS H H 100 8.647 8.647 8.388 0.259 18522 5641 1 10 . 1 1 89 89 TYR N N 101 121.320 121.320 124.457 -3.137 18522 5642 1 10 . 1 1 89 89 TYR HA H 101 5.947 5.947 4.709 1.238 18522 5643 1 10 . 1 1 89 89 TYR C C 101 173.769 173.769 173.252 0.517 18522 5644 1 10 . 1 1 89 89 TYR CA C 101 55.669 55.669 58.431 -2.762 18522 5645 1 10 . 1 1 89 89 TYR CB C 101 42.195 42.195 41.030 1.165 18522 5646 1 10 . 1 1 89 89 TYR H H 101 8.414 8.414 9.537 -1.123 18522 5647 1 10 . 1 1 90 90 ASN N N 102 116.679 116.679 116.009 0.670 18522 5648 1 10 . 1 1 90 90 ASN HA H 102 5.335 5.335 4.856 0.479 18522 5649 1 10 . 1 1 90 90 ASN C C 102 175.406 175.406 173.040 2.366 18522 5650 1 10 . 1 1 90 90 ASN CA C 102 51.961 51.961 53.038 -1.077 18522 5651 1 10 . 1 1 90 90 ASN CB C 102 41.800 41.800 40.815 0.985 18522 5652 1 10 . 1 1 90 90 ASN H H 102 9.282 9.282 7.825 1.457 18522 5653 1 10 . 1 1 91 91 LYS N N 103 124.129 124.129 120.153 3.976 18522 5654 1 10 . 1 1 91 91 LYS C C 103 176.678 176.678 174.813 1.865 18522 5655 1 10 . 1 1 91 91 LYS CA C 103 55.006 55.006 55.508 -0.502 18522 5656 1 10 . 1 1 91 91 LYS H H 103 8.949 8.949 8.445 0.504 18522 5657 1 10 . 1 1 92 92 LEU N N 104 127.043 127.043 113.130 13.913 18522 5658 1 10 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.618 -0.193 18522 5659 1 10 . 1 1 92 92 LEU CA C 104 55.060 55.060 53.429 1.631 18522 5660 1 10 . 1 1 92 92 LEU CB C 104 42.559 42.559 44.319 -1.760 18522 5661 1 10 . 1 1 92 92 LEU H H 104 9.150 9.150 6.926 2.224 18522 5662 1 10 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.493 -0.178 18522 5663 1 10 . 1 1 93 93 GLN C C 105 175.070 175.070 175.291 -0.221 18522 5664 1 10 . 1 1 93 93 GLN CA C 105 55.490 55.490 55.140 0.350 18522 5665 1 10 . 1 1 93 93 GLN CB C 105 28.909 28.909 29.466 -0.557 18522 5666 1 10 . 1 1 94 94 ALA N N 106 125.133 125.133 122.108 3.025 18522 5667 1 10 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.091 0.275 18522 5668 1 10 . 1 1 94 94 ALA C C 106 176.392 176.392 175.614 0.778 18522 5669 1 10 . 1 1 94 94 ALA CA C 106 51.723 51.723 52.565 -0.842 18522 5670 1 10 . 1 1 94 94 ALA CB C 106 20.185 20.185 18.611 1.574 18522 5671 1 10 . 1 1 94 94 ALA H H 106 8.226 8.226 7.803 0.423 18522 5672 1 10 . 1 1 95 95 ASP N N 107 122.013 122.013 118.438 3.575 18522 5673 1 10 . 1 1 95 95 ASP HA H 107 4.413 4.413 5.145 -0.732 18522 5674 1 10 . 1 1 95 95 ASP C C 107 175.019 175.019 175.361 -0.342 18522 5675 1 10 . 1 1 95 95 ASP CA C 107 55.642 55.642 52.210 3.432 18522 5676 1 10 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.340 -1.074 18522 5677 1 10 . 1 1 95 95 ASP H H 107 8.429 8.429 8.398 0.031 18522 5678 1 10 . 1 1 96 96 PRO HA H 108 4.207 4.207 4.023 0.184 18522 5679 1 10 . 1 1 96 96 PRO C C 108 178.840 178.840 178.257 0.583 18522 5680 1 10 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.509 -1.113 18522 5681 1 10 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.819 0.362 18522 5682 1 10 . 1 1 97 97 LYS N N 109 117.942 117.942 116.196 1.746 18522 5683 1 10 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.021 0.122 18522 5684 1 10 . 1 1 97 97 LYS C C 109 178.099 178.099 178.739 -0.640 18522 5685 1 10 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.575 -1.407 18522 5686 1 10 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.592 0.057 18522 5687 1 10 . 1 1 97 97 LYS H H 109 8.335 8.335 8.642 -0.307 18522 5688 1 10 . 1 1 98 98 GLN N N 110 119.159 119.159 118.400 0.759 18522 5689 1 10 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.255 -0.125 18522 5690 1 10 . 1 1 98 98 GLN C C 110 178.298 178.298 177.911 0.387 18522 5691 1 10 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.790 -0.130 18522 5692 1 10 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.789 -0.069 18522 5693 1 10 . 1 1 98 98 GLN H H 110 7.985 7.985 7.984 0.001 18522 5694 1 10 . 1 1 99 99 LEU N N 111 120.490 120.490 122.580 -2.090 18522 5695 1 10 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.460 -0.583 18522 5696 1 10 . 1 1 99 99 LEU C C 111 177.729 177.729 177.706 0.023 18522 5697 1 10 . 1 1 99 99 LEU CA C 111 57.049 57.049 56.965 0.084 18522 5698 1 10 . 1 1 99 99 LEU CB C 111 41.466 41.466 42.756 -1.290 18522 5699 1 10 . 1 1 99 99 LEU H H 111 7.994 7.994 8.226 -0.233 18522 5700 1 10 . 1 1 100 100 GLU N N 112 118.251 118.251 119.231 -0.980 18522 5701 1 10 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.048 -0.076 18522 5702 1 10 . 1 1 100 100 GLU C C 112 178.402 178.402 178.992 -0.590 18522 5703 1 10 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.008 0.048 18522 5704 1 10 . 1 1 100 100 GLU CB C 112 29.732 29.732 28.996 0.736 18522 5705 1 10 . 1 1 100 100 GLU H H 112 7.760 7.760 8.406 -0.646 18522 5706 1 10 . 1 1 101 101 VAL N N 113 117.229 117.229 120.650 -3.421 18522 5707 1 10 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.844 -0.082 18522 5708 1 10 . 1 1 101 101 VAL C C 113 178.107 178.107 176.906 1.201 18522 5709 1 10 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.477 -0.686 18522 5710 1 10 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.621 0.528 18522 5711 1 10 . 1 1 101 101 VAL H H 113 7.437 7.437 7.773 -0.336 18522 5712 1 10 . 1 1 102 102 LEU N N 114 122.124 122.124 118.209 3.915 18522 5713 1 10 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.195 -0.162 18522 5714 1 10 . 1 1 102 102 LEU C C 114 178.506 178.506 178.603 -0.097 18522 5715 1 10 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.218 1.025 18522 5716 1 10 . 1 1 102 102 LEU CB C 114 42.028 42.028 41.266 0.762 18522 5717 1 10 . 1 1 102 102 LEU H H 114 7.765 7.765 7.513 0.252 18522 5718 1 10 . 1 1 103 103 PHE N N 115 115.346 115.346 118.878 -3.532 18522 5719 1 10 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.095 0.129 18522 5720 1 10 . 1 1 103 103 PHE C C 115 175.621 175.621 177.050 -1.429 18522 5721 1 10 . 1 1 103 103 PHE CA C 115 57.537 57.537 60.773 -3.236 18522 5722 1 10 . 1 1 103 103 PHE CB C 115 38.057 38.057 40.054 -1.997 18522 5723 1 10 . 1 1 103 103 PHE H H 115 7.805 7.805 7.804 0.001 18522 5724 1 10 . 1 1 104 104 GLN N N 116 119.021 119.021 117.704 1.317 18522 5725 1 10 . 1 1 104 104 GLN HA H 116 4.407 4.407 3.886 0.521 18522 5726 1 10 . 1 1 104 104 GLN C C 116 176.402 176.402 176.078 0.324 18522 5727 1 10 . 1 1 104 104 GLN CA C 116 55.521 55.521 58.016 -2.494 18522 5728 1 10 . 1 1 104 104 GLN CB C 116 29.170 29.170 27.259 1.911 18522 5729 1 10 . 1 1 104 104 GLN H H 116 7.974 7.974 8.459 -0.485 18522 5730 1 10 . 1 1 105 105 GLY N N 117 108.868 108.868 105.545 3.323 18522 5731 1 10 . 1 1 105 105 GLY CA C 117 45.124 45.124 45.499 -0.375 18522 5732 1 10 . 1 1 105 105 GLY H H 117 8.195 8.195 8.118 0.077 18522 5733 1 10 . 1 1 106 106 PRO HA H 118 4.490 4.490 3.875 0.615 18522 5734 1 10 . 1 1 106 106 PRO C C 118 176.001 176.001 174.917 1.084 18522 5735 1 10 . 1 1 106 106 PRO CA C 118 63.523 63.523 63.170 0.353 18522 5736 1 10 . 1 1 106 106 PRO CB C 118 32.078 32.078 31.076 1.002 18522 5737 1 10 . 1 1 107 107 GLN N N 119 126.950 126.950 121.222 5.728 18522 5738 1 10 . 1 1 107 107 GLN C C 119 181.211 181.211 175.202 6.009 18522 5739 1 10 . 1 1 107 107 GLN CA C 119 57.416 57.416 56.459 0.957 18522 5740 1 10 . 1 1 107 107 GLN H H 119 8.079 8.079 8.066 0.013 18522 5741 1 10 . 1 1 111 111 ARG C C 123 174.608 174.608 174.995 -0.387 18522 5742 1 10 . 1 1 111 111 ARG CA C 123 55.099 55.099 54.906 0.193 18522 5743 1 10 . 1 1 112 112 HIS N N 124 122.212 122.212 118.222 3.990 18522 5744 1 10 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.037 0.681 18522 5745 1 10 . 1 1 112 112 HIS C C 124 176.040 176.040 174.407 1.633 18522 5746 1 10 . 1 1 112 112 HIS CA C 124 54.213 54.213 55.456 -1.243 18522 5747 1 10 . 1 1 112 112 HIS CB C 124 31.164 31.164 29.997 1.167 18522 5748 1 10 . 1 1 112 112 HIS H H 124 7.640 7.640 8.647 -1.007 18522 5749 1 10 . 1 1 113 113 TRP C C 125 176.168 176.168 176.110 0.058 18522 5750 1 10 . 1 1 114 114 LEU N N 126 121.893 121.893 124.175 -2.282 18522 5751 1 10 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.693 0.176 18522 5752 1 10 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.318 0.833 18522 5753 1 10 . 1 1 114 114 LEU CB C 126 45.144 45.144 43.626 1.518 18522 5754 1 10 . 1 1 114 114 LEU H H 126 8.606 8.606 8.198 0.408 18522 5755 1 10 . 1 1 115 115 LYS N N 127 125.850 125.850 119.941 5.909 18522 5756 1 10 . 1 1 115 115 LYS HA H 127 4.203 4.203 4.920 -0.717 18522 5757 1 10 . 1 1 115 115 LYS C C 127 175.564 175.564 174.368 1.196 18522 5758 1 10 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.366 1.886 18522 5759 1 10 . 1 1 115 115 LYS CB C 127 33.406 33.406 34.445 -1.039 18522 5760 1 10 . 1 1 115 115 LYS H H 127 8.647 8.647 8.091 0.556 18522 5761 1 11 . 1 1 3 3 PRO C C 15 177.225 177.225 178.021 -0.796 18522 5762 1 11 . 1 1 3 3 PRO CA C 15 63.508 63.508 63.913 -0.405 18522 5763 1 11 . 1 1 3 3 PRO CB C 15 32.090 32.090 31.936 0.153 18522 5764 1 11 . 1 1 4 4 GLY N N 16 108.829 108.829 108.530 0.299 18522 5765 1 11 . 1 1 4 4 GLY C C 16 173.398 173.398 174.766 -1.368 18522 5766 1 11 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.740 0.387 18522 5767 1 11 . 1 1 4 4 GLY H H 16 8.489 8.489 8.577 -0.088 18522 5768 1 11 . 1 1 5 5 ILE N N 17 121.763 121.763 120.393 1.370 18522 5769 1 11 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.475 0.079 18522 5770 1 11 . 1 1 5 5 ILE C C 17 174.332 174.332 174.834 -0.502 18522 5771 1 11 . 1 1 5 5 ILE CA C 17 58.245 58.245 59.395 -1.150 18522 5772 1 11 . 1 1 5 5 ILE CB C 17 38.762 38.762 37.769 0.993 18522 5773 1 11 . 1 1 5 5 ILE H H 17 8.014 8.014 7.405 0.609 18522 5774 1 11 . 1 1 6 6 PRO C C 18 176.437 176.437 176.432 0.005 18522 5775 1 11 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.235 -1.568 18522 5776 1 11 . 1 1 6 6 PRO CB C 18 32.469 32.469 32.027 0.442 18522 5777 1 11 . 1 1 7 7 VAL N N 19 123.849 123.849 119.212 4.637 18522 5778 1 11 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.383 0.167 18522 5779 1 11 . 1 1 7 7 VAL C C 19 174.453 174.453 173.669 0.784 18522 5780 1 11 . 1 1 7 7 VAL CA C 19 59.846 59.846 58.934 0.912 18522 5781 1 11 . 1 1 7 7 VAL CB C 19 33.510 33.510 32.418 1.092 18522 5782 1 11 . 1 1 7 7 VAL H H 19 8.754 8.754 7.856 0.898 18522 5783 1 11 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.875 0.463 18522 5784 1 11 . 1 1 8 8 PRO C C 20 177.585 177.585 176.487 1.098 18522 5785 1 11 . 1 1 8 8 PRO CA C 20 62.406 62.406 62.316 0.090 18522 5786 1 11 . 1 1 8 8 PRO CB C 20 32.891 32.891 32.190 0.701 18522 5787 1 11 . 1 1 9 9 GLY N N 21 108.426 108.426 110.161 -1.735 18522 5788 1 11 . 1 1 9 9 GLY C C 21 171.443 171.443 171.453 -0.010 18522 5789 1 11 . 1 1 9 9 GLY CA C 21 44.581 44.581 44.867 -0.286 18522 5790 1 11 . 1 1 9 9 GLY H H 21 8.258 8.258 7.788 0.470 18522 5791 1 11 . 1 1 10 10 LYS N N 22 117.372 117.372 120.173 -2.801 18522 5792 1 11 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.441 -1.402 18522 5793 1 11 . 1 1 10 10 LYS C C 22 174.463 174.463 174.202 0.261 18522 5794 1 11 . 1 1 10 10 LYS CA C 22 55.263 55.263 54.737 0.526 18522 5795 1 11 . 1 1 10 10 LYS CB C 22 35.227 35.227 35.015 0.212 18522 5796 1 11 . 1 1 10 10 LYS H H 22 8.175 8.175 7.926 0.249 18522 5797 1 11 . 1 1 11 11 VAL N N 23 120.387 120.387 117.575 2.812 18522 5798 1 11 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.633 0.075 18522 5799 1 11 . 1 1 11 11 VAL C C 23 171.873 171.873 173.926 -2.053 18522 5800 1 11 . 1 1 11 11 VAL CA C 23 59.866 59.866 59.779 0.088 18522 5801 1 11 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.587 -0.318 18522 5802 1 11 . 1 1 11 11 VAL H H 23 8.862 8.862 8.799 0.063 18522 5803 1 11 . 1 1 12 12 THR N N 24 125.797 125.797 118.795 7.002 18522 5804 1 11 . 1 1 12 12 THR HA H 24 5.121 5.121 5.055 0.066 18522 5805 1 11 . 1 1 12 12 THR C C 24 173.407 173.407 173.583 -0.176 18522 5806 1 11 . 1 1 12 12 THR CA C 24 62.115 62.115 60.006 2.109 18522 5807 1 11 . 1 1 12 12 THR CB C 24 69.606 69.606 69.391 0.215 18522 5808 1 11 . 1 1 12 12 THR H H 24 8.859 8.859 8.320 0.539 18522 5809 1 11 . 1 1 13 13 LEU N N 25 127.960 127.960 127.211 0.749 18522 5810 1 11 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.827 -0.018 18522 5811 1 11 . 1 1 13 13 LEU C C 25 175.029 175.029 175.456 -0.427 18522 5812 1 11 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.347 0.276 18522 5813 1 11 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.059 1.183 18522 5814 1 11 . 1 1 13 13 LEU H H 25 9.258 9.258 8.116 1.142 18522 5815 1 11 . 1 1 14 14 GLN N N 26 120.858 120.858 117.756 3.102 18522 5816 1 11 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.588 -0.106 18522 5817 1 11 . 1 1 14 14 GLN C C 26 174.515 174.515 175.150 -0.635 18522 5818 1 11 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.299 0.277 18522 5819 1 11 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.823 -2.307 18522 5820 1 11 . 1 1 14 14 GLN H H 26 8.530 8.530 8.304 0.226 18522 5821 1 11 . 1 1 15 15 LYS N N 27 119.583 119.583 122.692 -3.109 18522 5822 1 11 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.203 -0.023 18522 5823 1 11 . 1 1 15 15 LYS C C 27 177.468 177.468 176.956 0.512 18522 5824 1 11 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.745 -0.789 18522 5825 1 11 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.483 1.616 18522 5826 1 11 . 1 1 15 15 LYS H H 27 8.099 8.099 8.142 -0.043 18522 5827 1 11 . 1 1 16 16 ASP N N 28 121.439 121.439 122.297 -0.858 18522 5828 1 11 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.623 -0.033 18522 5829 1 11 . 1 1 16 16 ASP C C 28 178.392 178.392 178.170 0.222 18522 5830 1 11 . 1 1 16 16 ASP CA C 28 52.426 52.426 54.088 -1.662 18522 5831 1 11 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.492 -1.115 18522 5832 1 11 . 1 1 16 16 ASP H H 28 8.888 8.888 8.624 0.264 18522 5833 1 11 . 1 1 17 17 ALA N N 29 119.578 119.578 123.516 -3.938 18522 5834 1 11 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.147 0.041 18522 5835 1 11 . 1 1 17 17 ALA C C 29 178.763 178.763 178.477 0.286 18522 5836 1 11 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.397 0.037 18522 5837 1 11 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.592 -0.299 18522 5838 1 11 . 1 1 17 17 ALA H H 29 8.392 8.392 8.626 -0.234 18522 5839 1 11 . 1 1 18 18 GLN N N 30 117.564 117.564 116.856 0.708 18522 5840 1 11 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.325 0.074 18522 5841 1 11 . 1 1 18 18 GLN C C 30 175.168 175.168 175.560 -0.392 18522 5842 1 11 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.244 0.095 18522 5843 1 11 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.345 -0.756 18522 5844 1 11 . 1 1 18 18 GLN H H 30 8.353 8.353 7.805 0.548 18522 5845 1 11 . 1 1 19 19 ASN N N 31 115.365 115.365 115.852 -0.487 18522 5846 1 11 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.426 -0.111 18522 5847 1 11 . 1 1 19 19 ASN C C 31 174.043 174.043 172.951 1.092 18522 5848 1 11 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.510 -0.206 18522 5849 1 11 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.894 -0.284 18522 5850 1 11 . 1 1 19 19 ASN H H 31 8.521 8.521 8.248 0.273 18522 5851 1 11 . 1 1 20 20 LEU N N 32 118.660 118.660 112.269 6.391 18522 5852 1 11 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.850 0.050 18522 5853 1 11 . 1 1 20 20 LEU C C 32 178.117 178.117 176.974 1.143 18522 5854 1 11 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.465 0.492 18522 5855 1 11 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.462 1.312 18522 5856 1 11 . 1 1 20 20 LEU H H 32 8.155 8.155 7.399 0.756 18522 5857 1 11 . 1 1 21 21 ILE N N 33 116.785 116.785 116.071 0.714 18522 5858 1 11 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.505 0.169 18522 5859 1 11 . 1 1 21 21 ILE C C 33 176.185 176.185 176.802 -0.617 18522 5860 1 11 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.867 0.735 18522 5861 1 11 . 1 1 21 21 ILE CB C 33 39.016 39.016 38.596 0.420 18522 5862 1 11 . 1 1 21 21 ILE H H 33 11.488 11.488 7.966 3.522 18522 5863 1 11 . 1 1 22 22 GLY N N 34 111.234 111.234 106.674 4.560 18522 5864 1 11 . 1 1 22 22 GLY C C 34 173.993 173.993 173.413 0.580 18522 5865 1 11 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.068 0.912 18522 5866 1 11 . 1 1 22 22 GLY H H 34 9.854 9.854 8.399 1.455 18522 5867 1 11 . 1 1 23 23 ILE N N 35 111.117 111.117 114.695 -3.578 18522 5868 1 11 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.310 0.225 18522 5869 1 11 . 1 1 23 23 ILE C C 35 175.033 175.033 174.300 0.733 18522 5870 1 11 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.887 0.528 18522 5871 1 11 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.305 0.272 18522 5872 1 11 . 1 1 23 23 ILE H H 35 7.835 7.835 7.415 0.419 18522 5873 1 11 . 1 1 24 24 SER N N 36 114.908 114.908 115.755 -0.847 18522 5874 1 11 . 1 1 24 24 SER HA H 36 4.232 4.232 5.106 -0.874 18522 5875 1 11 . 1 1 24 24 SER C C 36 174.735 174.735 173.077 1.658 18522 5876 1 11 . 1 1 24 24 SER CA C 36 56.121 56.121 57.311 -1.190 18522 5877 1 11 . 1 1 24 24 SER CB C 36 66.097 66.097 65.572 0.525 18522 5878 1 11 . 1 1 24 24 SER H H 36 8.623 8.623 8.252 0.371 18522 5879 1 11 . 1 1 25 25 ILE N N 37 117.739 117.739 124.720 -6.981 18522 5880 1 11 . 1 1 25 25 ILE C C 37 174.340 174.340 175.469 -1.129 18522 5881 1 11 . 1 1 25 25 ILE CA C 37 59.123 59.123 59.678 -0.555 18522 5882 1 11 . 1 1 25 25 ILE CB C 37 41.637 41.637 41.305 0.332 18522 5883 1 11 . 1 1 25 25 ILE H H 37 9.130 9.130 8.761 0.369 18522 5884 1 11 . 1 1 26 26 GLY N N 38 108.069 108.069 112.179 -4.110 18522 5885 1 11 . 1 1 26 26 GLY CA C 38 44.112 44.112 45.381 -1.269 18522 5886 1 11 . 1 1 26 26 GLY H H 38 8.841 8.841 8.808 0.033 18522 5887 1 11 . 1 1 27 27 GLY N N 39 109.016 109.016 108.229 0.787 18522 5888 1 11 . 1 1 27 27 GLY C C 39 173.956 173.956 174.323 -0.367 18522 5889 1 11 . 1 1 27 27 GLY H H 39 8.187 8.187 8.717 -0.530 18522 5890 1 11 . 1 1 28 28 GLY N N 40 111.783 111.783 112.774 -0.991 18522 5891 1 11 . 1 1 28 28 GLY C C 40 174.255 174.255 172.867 1.388 18522 5892 1 11 . 1 1 28 28 GLY CA C 40 47.098 47.098 44.525 2.573 18522 5893 1 11 . 1 1 28 28 GLY H H 40 8.275 8.275 7.680 0.595 18522 5894 1 11 . 1 1 29 29 ALA N N 41 123.128 123.128 125.597 -2.469 18522 5895 1 11 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.614 -0.055 18522 5896 1 11 . 1 1 29 29 ALA CA C 41 51.073 51.073 53.104 -2.031 18522 5897 1 11 . 1 1 29 29 ALA CB C 41 21.926 21.926 19.677 2.249 18522 5898 1 11 . 1 1 29 29 ALA H H 41 8.012 8.012 8.360 -0.348 18522 5899 1 11 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.450 0.099 18522 5900 1 11 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.364 -2.217 18522 5901 1 11 . 1 1 31 31 TYR CB C 43 37.495 37.495 39.358 -1.863 18522 5902 1 11 . 1 1 32 32 CYS N N 44 119.332 119.332 114.336 4.996 18522 5903 1 11 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.704 0.155 18522 5904 1 11 . 1 1 32 32 CYS CA C 44 57.406 57.406 56.837 0.569 18522 5905 1 11 . 1 1 32 32 CYS CB C 44 27.673 27.673 27.385 0.288 18522 5906 1 11 . 1 1 32 32 CYS H H 44 7.504 7.504 8.149 -0.645 18522 5907 1 11 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.741 -0.328 18522 5908 1 11 . 1 1 33 33 PRO CA C 45 64.885 64.885 62.099 2.786 18522 5909 1 11 . 1 1 33 33 PRO CB C 45 32.318 32.318 33.006 -0.688 18522 5910 1 11 . 1 1 34 34 CYS N N 46 117.327 117.327 117.781 -0.454 18522 5911 1 11 . 1 1 34 34 CYS C C 46 172.064 172.064 176.291 -4.227 18522 5912 1 11 . 1 1 34 34 CYS CA C 46 60.066 60.066 61.366 -1.300 18522 5913 1 11 . 1 1 34 34 CYS CB C 46 28.715 28.715 27.848 0.867 18522 5914 1 11 . 1 1 34 34 CYS H H 46 7.973 7.973 7.691 0.282 18522 5915 1 11 . 1 1 35 35 LEU N N 47 124.270 124.270 117.236 7.034 18522 5916 1 11 . 1 1 35 35 LEU HA H 47 4.928 4.928 3.682 1.246 18522 5917 1 11 . 1 1 35 35 LEU C C 47 175.076 175.076 177.368 -2.292 18522 5918 1 11 . 1 1 35 35 LEU CA C 47 53.278 53.278 57.221 -3.943 18522 5919 1 11 . 1 1 35 35 LEU CB C 47 44.321 44.321 39.985 4.336 18522 5920 1 11 . 1 1 35 35 LEU H H 47 8.629 8.629 8.103 0.526 18522 5921 1 11 . 1 1 36 36 TYR N N 48 119.326 119.326 112.026 7.300 18522 5922 1 11 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.275 0.980 18522 5923 1 11 . 1 1 36 36 TYR C C 48 175.766 175.766 176.844 -1.078 18522 5924 1 11 . 1 1 36 36 TYR CA C 48 56.696 56.696 60.757 -4.061 18522 5925 1 11 . 1 1 36 36 TYR CB C 48 42.590 42.590 36.590 6.000 18522 5926 1 11 . 1 1 36 36 TYR H H 48 8.761 8.761 8.407 0.354 18522 5927 1 11 . 1 1 37 37 ILE N N 49 120.259 120.259 122.361 -2.102 18522 5928 1 11 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.599 -0.384 18522 5929 1 11 . 1 1 37 37 ILE C C 49 177.429 177.429 176.656 0.773 18522 5930 1 11 . 1 1 37 37 ILE CA C 49 62.456 62.456 60.528 1.928 18522 5931 1 11 . 1 1 37 37 ILE CB C 49 37.352 37.352 37.386 -0.034 18522 5932 1 11 . 1 1 37 37 ILE H H 49 8.959 8.959 7.995 0.964 18522 5933 1 11 . 1 1 38 38 VAL HA H 50 3.937 3.937 3.961 -0.024 18522 5934 1 11 . 1 1 38 38 VAL C C 50 174.408 174.408 175.434 -1.026 18522 5935 1 11 . 1 1 38 38 VAL CA C 50 62.259 62.259 63.621 -1.362 18522 5936 1 11 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.324 -0.740 18522 5937 1 11 . 1 1 39 39 GLN N N 51 116.821 116.821 115.675 1.146 18522 5938 1 11 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.494 -0.391 18522 5939 1 11 . 1 1 39 39 GLN C C 51 172.856 172.856 172.891 -0.035 18522 5940 1 11 . 1 1 39 39 GLN CA C 51 55.127 55.127 54.949 0.178 18522 5941 1 11 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.261 0.115 18522 5942 1 11 . 1 1 39 39 GLN H H 51 6.967 6.967 7.542 -0.575 18522 5943 1 11 . 1 1 40 40 VAL N N 52 123.482 123.482 118.901 4.581 18522 5944 1 11 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.818 -0.541 18522 5945 1 11 . 1 1 40 40 VAL C C 52 176.198 176.198 173.923 2.275 18522 5946 1 11 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.519 2.055 18522 5947 1 11 . 1 1 40 40 VAL CB C 52 32.875 32.875 35.247 -2.372 18522 5948 1 11 . 1 1 40 40 VAL H H 52 8.447 8.447 8.073 0.374 18522 5949 1 11 . 1 1 41 41 PHE N N 53 128.296 128.296 122.185 6.111 18522 5950 1 11 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.835 -0.435 18522 5951 1 11 . 1 1 41 41 PHE C C 53 175.299 175.299 175.857 -0.558 18522 5952 1 11 . 1 1 41 41 PHE CA C 53 58.494 58.494 56.981 1.513 18522 5953 1 11 . 1 1 41 41 PHE CB C 53 39.561 39.561 40.649 -1.088 18522 5954 1 11 . 1 1 41 41 PHE H H 53 8.707 8.707 8.478 0.229 18522 5955 1 11 . 1 1 42 42 ASP N N 54 122.696 122.696 123.620 -0.924 18522 5956 1 11 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.296 -0.024 18522 5957 1 11 . 1 1 42 42 ASP C C 54 176.837 176.837 176.364 0.473 18522 5958 1 11 . 1 1 42 42 ASP CA C 54 55.291 55.291 56.981 -1.690 18522 5959 1 11 . 1 1 42 42 ASP CB C 54 41.093 41.093 41.064 0.029 18522 5960 1 11 . 1 1 42 42 ASP H H 54 8.901 8.901 9.034 -0.133 18522 5961 1 11 . 1 1 43 43 ASN N N 55 113.923 113.923 112.867 1.056 18522 5962 1 11 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.747 -0.489 18522 5963 1 11 . 1 1 43 43 ASN C C 55 173.714 173.714 175.242 -1.528 18522 5964 1 11 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.001 1.957 18522 5965 1 11 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.285 -2.135 18522 5966 1 11 . 1 1 43 43 ASN H H 55 9.319 9.319 8.104 1.215 18522 5967 1 11 . 1 1 44 44 THR N N 56 108.020 108.020 113.256 -5.236 18522 5968 1 11 . 1 1 44 44 THR HA H 56 5.377 5.377 4.887 0.490 18522 5969 1 11 . 1 1 44 44 THR CA C 56 59.712 59.712 59.341 0.371 18522 5970 1 11 . 1 1 44 44 THR CB C 56 69.529 69.529 70.030 -0.501 18522 5971 1 11 . 1 1 44 44 THR H H 56 7.149 7.149 7.875 -0.726 18522 5972 1 11 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.057 0.247 18522 5973 1 11 . 1 1 45 45 PRO C C 57 180.141 180.141 178.010 2.131 18522 5974 1 11 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.600 0.490 18522 5975 1 11 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.397 1.797 18522 5976 1 11 . 1 1 46 46 ALA N N 58 116.854 116.854 120.276 -3.422 18522 5977 1 11 . 1 1 46 46 ALA HA H 58 4.035 4.035 3.969 0.066 18522 5978 1 11 . 1 1 46 46 ALA C C 58 180.647 180.647 179.420 1.227 18522 5979 1 11 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.251 -0.056 18522 5980 1 11 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.101 0.779 18522 5981 1 11 . 1 1 46 46 ALA H H 58 8.938 8.938 7.908 1.030 18522 5982 1 11 . 1 1 47 47 ALA N N 59 123.250 123.250 120.959 2.291 18522 5983 1 11 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.128 -0.098 18522 5984 1 11 . 1 1 47 47 ALA C C 59 179.852 179.852 179.650 0.202 18522 5985 1 11 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.549 0.390 18522 5986 1 11 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.440 1.248 18522 5987 1 11 . 1 1 47 47 ALA H H 59 7.658 7.658 7.418 0.240 18522 5988 1 11 . 1 1 48 48 LEU N N 60 118.654 118.654 119.112 -0.458 18522 5989 1 11 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.122 -0.096 18522 5990 1 11 . 1 1 48 48 LEU C C 60 179.238 179.238 178.236 1.002 18522 5991 1 11 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.034 -0.773 18522 5992 1 11 . 1 1 48 48 LEU CB C 60 41.445 41.445 40.963 0.482 18522 5993 1 11 . 1 1 48 48 LEU H H 60 8.636 8.636 8.530 0.106 18522 5994 1 11 . 1 1 49 49 ASP N N 61 117.382 117.382 117.639 -0.257 18522 5995 1 11 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.658 -0.237 18522 5996 1 11 . 1 1 49 49 ASP C C 61 177.668 177.668 177.895 -0.227 18522 5997 1 11 . 1 1 49 49 ASP CA C 61 57.087 57.087 55.322 1.765 18522 5998 1 11 . 1 1 49 49 ASP CB C 61 44.478 44.478 42.227 2.251 18522 5999 1 11 . 1 1 49 49 ASP H H 61 7.665 7.665 7.857 -0.192 18522 6000 1 11 . 1 1 50 50 GLY N N 62 103.228 103.228 107.199 -3.971 18522 6001 1 11 . 1 1 50 50 GLY C C 62 174.776 174.776 174.616 0.160 18522 6002 1 11 . 1 1 50 50 GLY CA C 62 46.533 46.533 45.795 0.738 18522 6003 1 11 . 1 1 50 50 GLY H H 62 7.216 7.216 8.352 -1.136 18522 6004 1 11 . 1 1 51 51 THR N N 63 117.230 117.230 108.367 8.863 18522 6005 1 11 . 1 1 51 51 THR HA H 63 3.907 3.907 3.866 0.041 18522 6006 1 11 . 1 1 51 51 THR C C 63 175.961 175.961 175.132 0.829 18522 6007 1 11 . 1 1 51 51 THR CA C 63 66.478 66.478 62.813 3.665 18522 6008 1 11 . 1 1 51 51 THR CB C 63 68.268 68.268 67.592 0.676 18522 6009 1 11 . 1 1 51 51 THR H H 63 8.319 8.319 7.696 0.623 18522 6010 1 11 . 1 1 52 52 VAL N N 64 113.826 113.826 117.049 -3.223 18522 6011 1 11 . 1 1 52 52 VAL HA H 64 3.950 3.950 3.892 0.058 18522 6012 1 11 . 1 1 52 52 VAL C C 64 173.883 173.883 174.946 -1.063 18522 6013 1 11 . 1 1 52 52 VAL CA C 64 60.708 60.708 60.140 0.568 18522 6014 1 11 . 1 1 52 52 VAL CB C 64 33.079 33.079 29.105 3.974 18522 6015 1 11 . 1 1 52 52 VAL H H 64 8.147 8.147 7.472 0.675 18522 6016 1 11 . 1 1 53 53 ALA N N 65 123.521 123.521 125.184 -1.663 18522 6017 1 11 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.300 0.114 18522 6018 1 11 . 1 1 53 53 ALA C C 65 175.247 175.247 176.766 -1.519 18522 6019 1 11 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.829 -0.389 18522 6020 1 11 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.246 3.020 18522 6021 1 11 . 1 1 53 53 ALA H H 65 8.633 8.633 7.572 1.061 18522 6022 1 11 . 1 1 54 54 ALA N N 66 120.818 120.818 122.176 -1.358 18522 6023 1 11 . 1 1 54 54 ALA HA H 66 3.720 3.720 3.909 -0.189 18522 6024 1 11 . 1 1 54 54 ALA C C 66 178.411 178.411 178.248 0.163 18522 6025 1 11 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.414 -0.398 18522 6026 1 11 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.488 0.352 18522 6027 1 11 . 1 1 54 54 ALA H H 66 8.451 8.451 8.260 0.191 18522 6028 1 11 . 1 1 55 55 GLY N N 67 112.260 112.260 113.832 -1.572 18522 6029 1 11 . 1 1 55 55 GLY C C 67 173.296 173.296 173.889 -0.593 18522 6030 1 11 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.736 0.289 18522 6031 1 11 . 1 1 55 55 GLY H H 67 9.600 9.600 8.368 1.232 18522 6032 1 11 . 1 1 56 56 ASP N N 68 121.293 121.293 121.530 -0.237 18522 6033 1 11 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.802 0.059 18522 6034 1 11 . 1 1 56 56 ASP C C 68 174.937 174.937 175.171 -0.234 18522 6035 1 11 . 1 1 56 56 ASP CA C 68 55.641 55.641 54.575 1.066 18522 6036 1 11 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.744 -2.048 18522 6037 1 11 . 1 1 56 56 ASP H H 68 8.043 8.043 7.717 0.326 18522 6038 1 11 . 1 1 57 57 GLU N N 69 122.814 122.814 123.861 -1.047 18522 6039 1 11 . 1 1 57 57 GLU C C 69 177.202 177.202 176.627 0.575 18522 6040 1 11 . 1 1 57 57 GLU CA C 69 54.472 54.472 55.203 -0.731 18522 6041 1 11 . 1 1 57 57 GLU CB C 69 32.800 32.800 29.939 2.861 18522 6042 1 11 . 1 1 57 57 GLU H H 69 8.455 8.455 8.936 -0.481 18522 6043 1 11 . 1 1 58 58 ILE N N 70 125.862 125.862 128.989 -3.127 18522 6044 1 11 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.464 0.062 18522 6045 1 11 . 1 1 58 58 ILE C C 70 175.035 175.035 176.614 -1.579 18522 6046 1 11 . 1 1 58 58 ILE CA C 70 60.918 60.918 62.127 -1.209 18522 6047 1 11 . 1 1 58 58 ILE CB C 70 39.236 39.236 36.845 2.391 18522 6048 1 11 . 1 1 58 58 ILE H H 70 8.619 8.619 8.283 0.336 18522 6049 1 11 . 1 1 59 59 THR N N 71 115.507 115.507 122.688 -7.181 18522 6050 1 11 . 1 1 59 59 THR HA H 71 4.513 4.513 4.366 0.147 18522 6051 1 11 . 1 1 59 59 THR C C 71 176.425 176.425 174.120 2.305 18522 6052 1 11 . 1 1 59 59 THR CA C 71 61.158 61.158 61.827 -0.668 18522 6053 1 11 . 1 1 59 59 THR CB C 71 69.604 69.604 69.530 0.074 18522 6054 1 11 . 1 1 59 59 THR H H 71 9.242 9.242 8.866 0.376 18522 6055 1 11 . 1 1 60 60 GLY N N 72 111.789 111.789 109.066 2.723 18522 6056 1 11 . 1 1 60 60 GLY C C 72 170.981 170.981 171.500 -0.519 18522 6057 1 11 . 1 1 60 60 GLY CA C 72 46.554 46.554 44.883 1.671 18522 6058 1 11 . 1 1 60 60 GLY H H 72 7.883 7.883 7.797 0.086 18522 6059 1 11 . 1 1 61 61 VAL N N 73 119.277 119.277 123.661 -4.384 18522 6060 1 11 . 1 1 61 61 VAL C C 73 175.951 175.951 175.775 0.176 18522 6061 1 11 . 1 1 61 61 VAL CA C 73 60.982 60.982 59.586 1.396 18522 6062 1 11 . 1 1 61 61 VAL CB C 73 36.197 36.197 33.668 2.529 18522 6063 1 11 . 1 1 61 61 VAL H H 73 8.424 8.424 8.759 -0.335 18522 6064 1 11 . 1 1 62 62 ASN N N 74 127.731 127.731 127.327 0.404 18522 6065 1 11 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.331 0.189 18522 6066 1 11 . 1 1 62 62 ASN C C 74 174.878 174.878 174.940 -0.062 18522 6067 1 11 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.582 -0.164 18522 6068 1 11 . 1 1 62 62 ASN CB C 74 36.655 36.655 38.138 -1.483 18522 6069 1 11 . 1 1 62 62 ASN H H 74 10.384 10.384 9.472 0.912 18522 6070 1 11 . 1 1 63 63 GLY N N 75 104.633 104.633 103.088 1.545 18522 6071 1 11 . 1 1 63 63 GLY C C 75 173.610 173.610 173.645 -0.035 18522 6072 1 11 . 1 1 63 63 GLY CA C 75 45.261 45.261 45.123 0.138 18522 6073 1 11 . 1 1 63 63 GLY H H 75 8.926 8.926 8.722 0.204 18522 6074 1 11 . 1 1 64 64 ARG N N 76 120.451 120.451 122.214 -1.763 18522 6075 1 11 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.676 -0.175 18522 6076 1 11 . 1 1 64 64 ARG C C 76 175.085 175.085 175.683 -0.598 18522 6077 1 11 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.357 -0.105 18522 6078 1 11 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.201 0.281 18522 6079 1 11 . 1 1 64 64 ARG H H 76 7.753 7.753 7.936 -0.183 18522 6080 1 11 . 1 1 65 65 SER N N 77 116.586 116.586 120.547 -3.961 18522 6081 1 11 . 1 1 65 65 SER HA H 77 4.483 4.483 4.596 -0.113 18522 6082 1 11 . 1 1 65 65 SER C C 77 176.953 176.953 175.967 0.986 18522 6083 1 11 . 1 1 65 65 SER CA C 77 58.292 58.292 58.328 -0.036 18522 6084 1 11 . 1 1 65 65 SER CB C 77 63.643 63.643 63.586 0.057 18522 6085 1 11 . 1 1 65 65 SER H H 77 8.555 8.555 9.002 -0.447 18522 6086 1 11 . 1 1 66 66 ILE N N 78 116.618 116.618 120.877 -4.259 18522 6087 1 11 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.120 0.300 18522 6088 1 11 . 1 1 66 66 ILE C C 78 175.072 175.072 177.355 -2.283 18522 6089 1 11 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.520 -2.397 18522 6090 1 11 . 1 1 66 66 ILE CB C 78 36.758 36.758 36.804 -0.046 18522 6091 1 11 . 1 1 66 66 ILE H H 78 7.599 7.599 8.438 -0.839 18522 6092 1 11 . 1 1 67 67 LYS N N 79 123.287 123.287 122.687 0.600 18522 6093 1 11 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.095 -0.046 18522 6094 1 11 . 1 1 67 67 LYS C C 79 178.333 178.333 177.797 0.536 18522 6095 1 11 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.064 0.257 18522 6096 1 11 . 1 1 67 67 LYS CB C 79 31.635 31.635 31.818 -0.183 18522 6097 1 11 . 1 1 67 67 LYS H H 79 7.898 7.898 8.164 -0.266 18522 6098 1 11 . 1 1 68 68 GLY N N 80 114.933 114.933 106.290 8.643 18522 6099 1 11 . 1 1 68 68 GLY C C 80 174.385 174.385 174.349 0.036 18522 6100 1 11 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.349 0.169 18522 6101 1 11 . 1 1 68 68 GLY H H 80 8.999 8.999 8.049 0.950 18522 6102 1 11 . 1 1 69 69 LYS N N 81 119.403 119.403 118.319 1.084 18522 6103 1 11 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.545 -0.501 18522 6104 1 11 . 1 1 69 69 LYS C C 81 177.064 177.064 175.242 1.822 18522 6105 1 11 . 1 1 69 69 LYS CA C 81 54.722 54.722 54.798 -0.076 18522 6106 1 11 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.968 -0.408 18522 6107 1 11 . 1 1 69 69 LYS H H 81 7.845 7.845 7.755 0.090 18522 6108 1 11 . 1 1 70 70 THR N N 82 112.066 112.066 115.322 -3.256 18522 6109 1 11 . 1 1 70 70 THR HA H 82 4.666 4.666 4.718 -0.052 18522 6110 1 11 . 1 1 70 70 THR C C 82 175.955 175.955 175.142 0.813 18522 6111 1 11 . 1 1 70 70 THR CA C 82 60.438 60.438 60.993 -0.555 18522 6112 1 11 . 1 1 70 70 THR CB C 82 71.629 71.629 72.937 -1.308 18522 6113 1 11 . 1 1 70 70 THR H H 82 9.153 9.153 8.201 0.952 18522 6114 1 11 . 1 1 71 71 LYS N N 83 118.730 118.730 125.189 -6.459 18522 6115 1 11 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.908 -0.038 18522 6116 1 11 . 1 1 71 71 LYS C C 83 177.464 177.464 177.929 -0.465 18522 6117 1 11 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.730 0.627 18522 6118 1 11 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.602 -0.251 18522 6119 1 11 . 1 1 71 71 LYS H H 83 8.969 8.969 8.857 0.112 18522 6120 1 11 . 1 1 72 72 VAL N N 84 117.444 117.444 118.299 -0.855 18522 6121 1 11 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.629 0.004 18522 6122 1 11 . 1 1 72 72 VAL C C 84 178.315 178.315 177.562 0.753 18522 6123 1 11 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.530 0.549 18522 6124 1 11 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.679 0.412 18522 6125 1 11 . 1 1 72 72 VAL H H 84 7.631 7.631 8.283 -0.652 18522 6126 1 11 . 1 1 73 73 GLU N N 85 120.890 120.890 119.038 1.852 18522 6127 1 11 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.074 -0.110 18522 6128 1 11 . 1 1 73 73 GLU C C 85 179.971 179.971 178.883 1.088 18522 6129 1 11 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.466 -0.150 18522 6130 1 11 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.662 0.693 18522 6131 1 11 . 1 1 73 73 GLU H H 85 7.617 7.617 7.500 0.117 18522 6132 1 11 . 1 1 74 74 VAL N N 86 121.246 121.246 118.413 2.833 18522 6133 1 11 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.707 -0.077 18522 6134 1 11 . 1 1 74 74 VAL C C 86 177.217 177.217 177.627 -0.410 18522 6135 1 11 . 1 1 74 74 VAL CA C 86 66.678 66.678 66.284 0.394 18522 6136 1 11 . 1 1 74 74 VAL CB C 86 31.307 31.307 30.939 0.368 18522 6137 1 11 . 1 1 74 74 VAL H H 86 8.368 8.368 8.244 0.124 18522 6138 1 11 . 1 1 75 75 ALA N N 87 122.148 122.148 122.439 -0.291 18522 6139 1 11 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.906 0.041 18522 6140 1 11 . 1 1 75 75 ALA C C 87 179.545 179.545 179.200 0.345 18522 6141 1 11 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.478 0.373 18522 6142 1 11 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.887 0.604 18522 6143 1 11 . 1 1 75 75 ALA H H 87 8.577 8.577 8.302 0.275 18522 6144 1 11 . 1 1 76 76 LYS N N 88 117.733 117.733 119.749 -2.016 18522 6145 1 11 . 1 1 76 76 LYS HA H 88 4.051 4.051 4.232 -0.181 18522 6146 1 11 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.118 0.275 18522 6147 1 11 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.344 -0.286 18522 6148 1 11 . 1 1 76 76 LYS H H 88 7.854 7.854 7.388 0.466 18522 6149 1 11 . 1 1 77 77 MET N N 89 117.676 117.676 117.935 -0.259 18522 6150 1 11 . 1 1 77 77 MET HA H 89 4.048 4.048 4.091 -0.043 18522 6151 1 11 . 1 1 77 77 MET C C 89 178.791 178.791 178.989 -0.198 18522 6152 1 11 . 1 1 77 77 MET CA C 89 59.128 59.128 59.545 -0.417 18522 6153 1 11 . 1 1 77 77 MET CB C 89 33.801 33.801 32.625 1.176 18522 6154 1 11 . 1 1 77 77 MET H H 89 7.759 7.759 8.165 -0.406 18522 6155 1 11 . 1 1 78 78 ILE N N 90 117.305 117.305 119.923 -2.618 18522 6156 1 11 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.662 -0.072 18522 6157 1 11 . 1 1 78 78 ILE C C 90 178.658 178.658 178.294 0.364 18522 6158 1 11 . 1 1 78 78 ILE CA C 90 65.482 65.482 64.910 0.572 18522 6159 1 11 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.951 0.894 18522 6160 1 11 . 1 1 78 78 ILE H H 90 7.972 7.972 8.250 -0.278 18522 6161 1 11 . 1 1 79 79 GLN N N 91 120.935 120.935 119.254 1.681 18522 6162 1 11 . 1 1 79 79 GLN HA H 91 3.998 3.998 3.972 0.026 18522 6163 1 11 . 1 1 79 79 GLN C C 91 178.274 178.274 178.309 -0.035 18522 6164 1 11 . 1 1 79 79 GLN CA C 91 59.151 59.151 58.753 0.398 18522 6165 1 11 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.909 0.025 18522 6166 1 11 . 1 1 79 79 GLN H H 91 8.826 8.826 8.309 0.517 18522 6167 1 11 . 1 1 80 80 GLU N N 92 115.213 115.213 119.133 -3.920 18522 6168 1 11 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.041 0.020 18522 6169 1 11 . 1 1 80 80 GLU C C 92 176.824 176.824 179.070 -2.246 18522 6170 1 11 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.400 -1.394 18522 6171 1 11 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.708 0.182 18522 6172 1 11 . 1 1 80 80 GLU H H 92 8.020 8.020 8.342 -0.322 18522 6173 1 11 . 1 1 81 81 VAL N N 93 119.047 119.047 113.757 5.290 18522 6174 1 11 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.790 0.140 18522 6175 1 11 . 1 1 81 81 VAL C C 93 176.016 176.016 176.232 -0.216 18522 6176 1 11 . 1 1 81 81 VAL CA C 93 63.153 63.153 63.857 -0.704 18522 6177 1 11 . 1 1 81 81 VAL CB C 93 32.154 32.154 31.899 0.255 18522 6178 1 11 . 1 1 81 81 VAL H H 93 7.073 7.073 7.328 -0.255 18522 6179 1 11 . 1 1 82 82 LYS N N 94 128.366 128.366 119.725 8.641 18522 6180 1 11 . 1 1 82 82 LYS C C 94 177.460 177.460 176.818 0.642 18522 6181 1 11 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.111 -1.358 18522 6182 1 11 . 1 1 82 82 LYS CB C 94 32.332 32.332 32.159 0.173 18522 6183 1 11 . 1 1 82 82 LYS H H 94 8.762 8.762 7.530 1.232 18522 6184 1 11 . 1 1 83 83 GLY N N 95 112.528 112.528 113.157 -0.629 18522 6185 1 11 . 1 1 83 83 GLY C C 95 173.468 173.468 172.894 0.574 18522 6186 1 11 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.282 0.961 18522 6187 1 11 . 1 1 83 83 GLY H H 95 8.673 8.673 8.871 -0.198 18522 6188 1 11 . 1 1 84 84 GLU N N 96 121.485 121.485 119.951 1.534 18522 6189 1 11 . 1 1 84 84 GLU HA H 96 4.749 4.749 5.000 -0.251 18522 6190 1 11 . 1 1 84 84 GLU C C 96 174.583 174.583 174.264 0.319 18522 6191 1 11 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.749 1.072 18522 6192 1 11 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.979 -2.569 18522 6193 1 11 . 1 1 84 84 GLU H H 96 8.297 8.297 7.389 0.908 18522 6194 1 11 . 1 1 85 85 VAL N N 97 120.501 120.501 111.989 8.512 18522 6195 1 11 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.573 0.092 18522 6196 1 11 . 1 1 85 85 VAL C C 97 173.047 173.047 174.036 -0.989 18522 6197 1 11 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.436 -0.322 18522 6198 1 11 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.484 -0.300 18522 6199 1 11 . 1 1 85 85 VAL H H 97 9.096 9.096 8.421 0.675 18522 6200 1 11 . 1 1 86 86 THR N N 98 125.019 125.019 119.748 5.271 18522 6201 1 11 . 1 1 86 86 THR HA H 98 4.076 4.076 5.139 -1.063 18522 6202 1 11 . 1 1 86 86 THR C C 98 173.807 173.807 173.369 0.438 18522 6203 1 11 . 1 1 86 86 THR CA C 98 61.735 61.735 61.935 -0.201 18522 6204 1 11 . 1 1 86 86 THR CB C 98 69.531 69.531 70.384 -0.853 18522 6205 1 11 . 1 1 86 86 THR H H 98 9.352 9.352 8.169 1.183 18522 6206 1 11 . 1 1 87 87 ILE N N 99 128.383 128.383 124.491 3.892 18522 6207 1 11 . 1 1 87 87 ILE HA H 99 4.661 4.661 5.011 -0.350 18522 6208 1 11 . 1 1 87 87 ILE C C 99 174.614 174.614 174.235 0.379 18522 6209 1 11 . 1 1 87 87 ILE CA C 99 58.258 58.258 58.691 -0.433 18522 6210 1 11 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.410 0.118 18522 6211 1 11 . 1 1 87 87 ILE H H 99 9.329 9.329 9.102 0.227 18522 6212 1 11 . 1 1 88 88 HIS N N 100 128.279 128.279 128.420 -0.141 18522 6213 1 11 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.334 -0.386 18522 6214 1 11 . 1 1 88 88 HIS C C 100 174.787 174.787 174.263 0.524 18522 6215 1 11 . 1 1 88 88 HIS CA C 100 54.620 54.620 54.610 0.010 18522 6216 1 11 . 1 1 88 88 HIS H H 100 8.647 8.647 9.135 -0.488 18522 6217 1 11 . 1 1 89 89 TYR N N 101 121.320 121.320 124.190 -2.870 18522 6218 1 11 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.741 0.206 18522 6219 1 11 . 1 1 89 89 TYR C C 101 173.769 173.769 173.464 0.305 18522 6220 1 11 . 1 1 89 89 TYR CA C 101 55.669 55.669 54.934 0.734 18522 6221 1 11 . 1 1 89 89 TYR CB C 101 42.195 42.195 40.710 1.485 18522 6222 1 11 . 1 1 89 89 TYR H H 101 8.414 8.414 8.944 -0.530 18522 6223 1 11 . 1 1 90 90 ASN N N 102 116.679 116.679 119.343 -2.664 18522 6224 1 11 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.582 -0.247 18522 6225 1 11 . 1 1 90 90 ASN C C 102 175.406 175.406 174.990 0.416 18522 6226 1 11 . 1 1 90 90 ASN CA C 102 51.961 51.961 51.115 0.846 18522 6227 1 11 . 1 1 90 90 ASN CB C 102 41.800 41.800 42.368 -0.568 18522 6228 1 11 . 1 1 90 90 ASN H H 102 9.282 9.282 8.991 0.291 18522 6229 1 11 . 1 1 91 91 LYS N N 103 124.129 124.129 121.326 2.803 18522 6230 1 11 . 1 1 91 91 LYS C C 103 176.678 176.678 175.292 1.386 18522 6231 1 11 . 1 1 91 91 LYS CA C 103 55.006 55.006 55.600 -0.594 18522 6232 1 11 . 1 1 91 91 LYS H H 103 8.949 8.949 8.477 0.472 18522 6233 1 11 . 1 1 92 92 LEU N N 104 127.043 127.043 118.716 8.327 18522 6234 1 11 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.617 -0.192 18522 6235 1 11 . 1 1 92 92 LEU CA C 104 55.060 55.060 54.257 0.803 18522 6236 1 11 . 1 1 92 92 LEU CB C 104 42.559 42.559 44.289 -1.730 18522 6237 1 11 . 1 1 92 92 LEU H H 104 9.150 9.150 7.665 1.485 18522 6238 1 11 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.459 -0.144 18522 6239 1 11 . 1 1 93 93 GLN C C 105 175.070 175.070 175.613 -0.543 18522 6240 1 11 . 1 1 93 93 GLN CA C 105 55.490 55.490 54.786 0.704 18522 6241 1 11 . 1 1 93 93 GLN CB C 105 28.909 28.909 29.301 -0.392 18522 6242 1 11 . 1 1 94 94 ALA N N 106 125.133 125.133 121.418 3.715 18522 6243 1 11 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.108 0.258 18522 6244 1 11 . 1 1 94 94 ALA C C 106 176.392 176.392 176.129 0.263 18522 6245 1 11 . 1 1 94 94 ALA CA C 106 51.723 51.723 52.634 -0.911 18522 6246 1 11 . 1 1 94 94 ALA CB C 106 20.185 20.185 18.583 1.602 18522 6247 1 11 . 1 1 94 94 ALA H H 106 8.226 8.226 7.992 0.234 18522 6248 1 11 . 1 1 95 95 ASP N N 107 122.013 122.013 119.967 2.046 18522 6249 1 11 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.994 -0.581 18522 6250 1 11 . 1 1 95 95 ASP C C 107 175.019 175.019 175.636 -0.617 18522 6251 1 11 . 1 1 95 95 ASP CA C 107 55.642 55.642 51.963 3.679 18522 6252 1 11 . 1 1 95 95 ASP CB C 107 41.266 41.266 43.248 -1.982 18522 6253 1 11 . 1 1 95 95 ASP H H 107 8.429 8.429 8.111 0.318 18522 6254 1 11 . 1 1 96 96 PRO HA H 108 4.207 4.207 3.950 0.257 18522 6255 1 11 . 1 1 96 96 PRO C C 108 178.840 178.840 178.205 0.635 18522 6256 1 11 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.659 -1.263 18522 6257 1 11 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.668 0.513 18522 6258 1 11 . 1 1 97 97 LYS N N 109 117.942 117.942 115.259 2.683 18522 6259 1 11 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.072 0.071 18522 6260 1 11 . 1 1 97 97 LYS C C 109 178.099 178.099 179.125 -1.026 18522 6261 1 11 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.141 -0.974 18522 6262 1 11 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.514 0.135 18522 6263 1 11 . 1 1 97 97 LYS H H 109 8.335 8.335 8.429 -0.094 18522 6264 1 11 . 1 1 98 98 GLN N N 110 119.159 119.159 118.412 0.747 18522 6265 1 11 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.266 -0.136 18522 6266 1 11 . 1 1 98 98 GLN C C 110 178.298 178.298 178.279 0.019 18522 6267 1 11 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.785 -0.125 18522 6268 1 11 . 1 1 98 98 GLN CB C 110 28.720 28.720 29.387 -0.667 18522 6269 1 11 . 1 1 98 98 GLN H H 110 7.985 7.985 8.164 -0.179 18522 6270 1 11 . 1 1 99 99 LEU N N 111 120.490 120.490 122.759 -2.269 18522 6271 1 11 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.090 -0.213 18522 6272 1 11 . 1 1 99 99 LEU C C 111 177.729 177.729 178.209 -0.480 18522 6273 1 11 . 1 1 99 99 LEU CA C 111 57.049 57.049 58.221 -1.172 18522 6274 1 11 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.917 -0.452 18522 6275 1 11 . 1 1 99 99 LEU H H 111 7.994 7.994 8.531 -0.537 18522 6276 1 11 . 1 1 100 100 GLU N N 112 118.251 118.251 117.313 0.938 18522 6277 1 11 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.074 -0.102 18522 6278 1 11 . 1 1 100 100 GLU C C 112 178.402 178.402 178.303 0.099 18522 6279 1 11 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.069 -0.013 18522 6280 1 11 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.160 0.572 18522 6281 1 11 . 1 1 100 100 GLU H H 112 7.760 7.760 8.248 -0.488 18522 6282 1 11 . 1 1 101 101 VAL N N 113 117.229 117.229 118.535 -1.306 18522 6283 1 11 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.870 -0.108 18522 6284 1 11 . 1 1 101 101 VAL C C 113 178.107 178.107 178.158 -0.051 18522 6285 1 11 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.120 -0.329 18522 6286 1 11 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.704 0.445 18522 6287 1 11 . 1 1 101 101 VAL H H 113 7.437 7.437 7.521 -0.084 18522 6288 1 11 . 1 1 102 102 LEU N N 114 122.124 122.124 118.572 3.552 18522 6289 1 11 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.298 -0.265 18522 6290 1 11 . 1 1 102 102 LEU C C 114 178.506 178.506 178.304 0.202 18522 6291 1 11 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.552 0.691 18522 6292 1 11 . 1 1 102 102 LEU CB C 114 42.028 42.028 42.194 -0.166 18522 6293 1 11 . 1 1 102 102 LEU H H 114 7.765 7.765 7.762 0.003 18522 6294 1 11 . 1 1 103 103 PHE N N 115 115.346 115.346 118.670 -3.324 18522 6295 1 11 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.459 -0.235 18522 6296 1 11 . 1 1 103 103 PHE C C 115 175.621 175.621 176.007 -0.386 18522 6297 1 11 . 1 1 103 103 PHE CA C 115 57.537 57.537 56.825 0.711 18522 6298 1 11 . 1 1 103 103 PHE CB C 115 38.057 38.057 38.572 -0.515 18522 6299 1 11 . 1 1 103 103 PHE H H 115 7.805 7.805 7.898 -0.093 18522 6300 1 11 . 1 1 104 104 GLN N N 116 119.021 119.021 120.586 -1.565 18522 6301 1 11 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.104 0.303 18522 6302 1 11 . 1 1 104 104 GLN C C 116 176.402 176.402 176.691 -0.289 18522 6303 1 11 . 1 1 104 104 GLN CA C 116 55.521 55.521 57.326 -1.805 18522 6304 1 11 . 1 1 104 104 GLN CB C 116 29.170 29.170 29.061 0.110 18522 6305 1 11 . 1 1 104 104 GLN H H 116 7.974 7.974 7.472 0.502 18522 6306 1 11 . 1 1 105 105 GLY N N 117 108.868 108.868 107.034 1.834 18522 6307 1 11 . 1 1 105 105 GLY CA C 117 45.124 45.124 44.612 0.512 18522 6308 1 11 . 1 1 105 105 GLY H H 117 8.195 8.195 7.814 0.381 18522 6309 1 11 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.322 0.168 18522 6310 1 11 . 1 1 106 106 PRO C C 118 176.001 176.001 177.126 -1.125 18522 6311 1 11 . 1 1 106 106 PRO CA C 118 63.523 63.523 63.248 0.275 18522 6312 1 11 . 1 1 106 106 PRO CB C 118 32.078 32.078 31.941 0.137 18522 6313 1 11 . 1 1 107 107 GLN N N 119 126.950 126.950 118.532 8.418 18522 6314 1 11 . 1 1 107 107 GLN C C 119 181.211 181.211 177.307 3.904 18522 6315 1 11 . 1 1 107 107 GLN CA C 119 57.416 57.416 55.778 1.639 18522 6316 1 11 . 1 1 107 107 GLN H H 119 8.079 8.079 7.396 0.683 18522 6317 1 11 . 1 1 111 111 ARG C C 123 174.608 174.608 174.922 -0.314 18522 6318 1 11 . 1 1 111 111 ARG CA C 123 55.099 55.099 56.554 -1.455 18522 6319 1 11 . 1 1 112 112 HIS N N 124 122.212 122.212 114.916 7.296 18522 6320 1 11 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.881 -0.163 18522 6321 1 11 . 1 1 112 112 HIS C C 124 176.040 176.040 174.616 1.424 18522 6322 1 11 . 1 1 112 112 HIS CA C 124 54.213 54.213 53.642 0.571 18522 6323 1 11 . 1 1 112 112 HIS CB C 124 31.164 31.164 30.673 0.491 18522 6324 1 11 . 1 1 112 112 HIS H H 124 7.640 7.640 8.010 -0.370 18522 6325 1 11 . 1 1 113 113 TRP C C 125 176.168 176.168 174.907 1.261 18522 6326 1 11 . 1 1 114 114 LEU N N 126 121.893 121.893 122.787 -0.894 18522 6327 1 11 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.661 0.208 18522 6328 1 11 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.791 0.360 18522 6329 1 11 . 1 1 114 114 LEU CB C 126 45.144 45.144 44.924 0.220 18522 6330 1 11 . 1 1 114 114 LEU H H 126 8.606 8.606 8.428 0.178 18522 6331 1 11 . 1 1 115 115 LYS N N 127 125.850 125.850 121.121 4.729 18522 6332 1 11 . 1 1 115 115 LYS HA H 127 4.203 4.203 5.134 -0.931 18522 6333 1 11 . 1 1 115 115 LYS C C 127 175.564 175.564 174.477 1.087 18522 6334 1 11 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.396 1.856 18522 6335 1 11 . 1 1 115 115 LYS CB C 127 33.406 33.406 34.785 -1.379 18522 6336 1 11 . 1 1 115 115 LYS H H 127 8.647 8.647 8.153 0.494 18522 6337 1 12 . 1 1 3 3 PRO C C 15 177.225 177.225 177.175 0.050 18522 6338 1 12 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.438 1.070 18522 6339 1 12 . 1 1 3 3 PRO CB C 15 32.090 32.090 32.608 -0.518 18522 6340 1 12 . 1 1 4 4 GLY N N 16 108.829 108.829 108.026 0.803 18522 6341 1 12 . 1 1 4 4 GLY C C 16 173.398 173.398 174.776 -1.378 18522 6342 1 12 . 1 1 4 4 GLY CA C 16 45.128 45.128 45.750 -0.622 18522 6343 1 12 . 1 1 4 4 GLY H H 16 8.489 8.489 8.350 0.139 18522 6344 1 12 . 1 1 5 5 ILE N N 17 121.763 121.763 116.576 5.187 18522 6345 1 12 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.822 -0.268 18522 6346 1 12 . 1 1 5 5 ILE C C 17 174.332 174.332 174.649 -0.317 18522 6347 1 12 . 1 1 5 5 ILE CA C 17 58.245 58.245 57.449 0.796 18522 6348 1 12 . 1 1 5 5 ILE CB C 17 38.762 38.762 39.207 -0.445 18522 6349 1 12 . 1 1 5 5 ILE H H 17 8.014 8.014 7.485 0.529 18522 6350 1 12 . 1 1 6 6 PRO C C 18 176.437 176.437 176.327 0.110 18522 6351 1 12 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.929 -2.262 18522 6352 1 12 . 1 1 6 6 PRO CB C 18 32.469 32.469 31.993 0.476 18522 6353 1 12 . 1 1 7 7 VAL N N 19 123.849 123.849 118.631 5.218 18522 6354 1 12 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.474 0.076 18522 6355 1 12 . 1 1 7 7 VAL C C 19 174.453 174.453 173.596 0.857 18522 6356 1 12 . 1 1 7 7 VAL CA C 19 59.846 59.846 59.108 0.738 18522 6357 1 12 . 1 1 7 7 VAL CB C 19 33.510 33.510 33.152 0.358 18522 6358 1 12 . 1 1 7 7 VAL H H 19 8.754 8.754 7.812 0.942 18522 6359 1 12 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.816 0.522 18522 6360 1 12 . 1 1 8 8 PRO C C 20 177.585 177.585 177.164 0.421 18522 6361 1 12 . 1 1 8 8 PRO CA C 20 62.406 62.406 61.898 0.508 18522 6362 1 12 . 1 1 8 8 PRO CB C 20 32.891 32.891 32.747 0.144 18522 6363 1 12 . 1 1 9 9 GLY N N 21 108.426 108.426 112.603 -4.177 18522 6364 1 12 . 1 1 9 9 GLY C C 21 171.443 171.443 172.679 -1.236 18522 6365 1 12 . 1 1 9 9 GLY CA C 21 44.581 44.581 45.063 -0.482 18522 6366 1 12 . 1 1 9 9 GLY H H 21 8.258 8.258 7.893 0.365 18522 6367 1 12 . 1 1 10 10 LYS N N 22 117.372 117.372 120.942 -3.570 18522 6368 1 12 . 1 1 10 10 LYS HA H 22 4.039 4.039 4.357 -0.318 18522 6369 1 12 . 1 1 10 10 LYS C C 22 174.463 174.463 174.544 -0.081 18522 6370 1 12 . 1 1 10 10 LYS CA C 22 55.263 55.263 56.469 -1.206 18522 6371 1 12 . 1 1 10 10 LYS CB C 22 35.227 35.227 34.883 0.345 18522 6372 1 12 . 1 1 10 10 LYS H H 22 8.175 8.175 7.979 0.196 18522 6373 1 12 . 1 1 11 11 VAL N N 23 120.387 120.387 120.701 -0.314 18522 6374 1 12 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.443 0.265 18522 6375 1 12 . 1 1 11 11 VAL C C 23 171.873 171.873 173.174 -1.301 18522 6376 1 12 . 1 1 11 11 VAL CA C 23 59.866 59.866 59.777 0.089 18522 6377 1 12 . 1 1 11 11 VAL CB C 23 35.269 35.269 34.927 0.342 18522 6378 1 12 . 1 1 11 11 VAL H H 23 8.862 8.862 7.529 1.333 18522 6379 1 12 . 1 1 12 12 THR N N 24 125.797 125.797 117.938 7.859 18522 6380 1 12 . 1 1 12 12 THR HA H 24 5.121 5.121 4.772 0.349 18522 6381 1 12 . 1 1 12 12 THR C C 24 173.407 173.407 172.915 0.492 18522 6382 1 12 . 1 1 12 12 THR CA C 24 62.115 62.115 60.422 1.693 18522 6383 1 12 . 1 1 12 12 THR CB C 24 69.606 69.606 70.416 -0.810 18522 6384 1 12 . 1 1 12 12 THR H H 24 8.859 8.859 8.195 0.664 18522 6385 1 12 . 1 1 13 13 LEU N N 25 127.960 127.960 124.713 3.247 18522 6386 1 12 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.857 -0.048 18522 6387 1 12 . 1 1 13 13 LEU C C 25 175.029 175.029 175.465 -0.436 18522 6388 1 12 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.445 0.178 18522 6389 1 12 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.545 0.697 18522 6390 1 12 . 1 1 13 13 LEU H H 25 9.258 9.258 8.244 1.014 18522 6391 1 12 . 1 1 14 14 GLN N N 26 120.858 120.858 116.195 4.663 18522 6392 1 12 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.670 -0.188 18522 6393 1 12 . 1 1 14 14 GLN C C 26 174.515 174.515 175.288 -0.773 18522 6394 1 12 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.383 0.193 18522 6395 1 12 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.580 -2.064 18522 6396 1 12 . 1 1 14 14 GLN H H 26 8.530 8.530 8.265 0.265 18522 6397 1 12 . 1 1 15 15 LYS N N 27 119.583 119.583 121.282 -1.699 18522 6398 1 12 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.391 -0.211 18522 6399 1 12 . 1 1 15 15 LYS C C 27 177.468 177.468 176.961 0.507 18522 6400 1 12 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.524 -0.568 18522 6401 1 12 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.351 1.748 18522 6402 1 12 . 1 1 15 15 LYS H H 27 8.099 8.099 8.161 -0.062 18522 6403 1 12 . 1 1 16 16 ASP N N 28 121.439 121.439 121.313 0.126 18522 6404 1 12 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.640 -0.050 18522 6405 1 12 . 1 1 16 16 ASP C C 28 178.392 178.392 177.727 0.665 18522 6406 1 12 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.605 -1.179 18522 6407 1 12 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.697 -1.320 18522 6408 1 12 . 1 1 16 16 ASP H H 28 8.888 8.888 8.654 0.234 18522 6409 1 12 . 1 1 17 17 ALA N N 29 119.578 119.578 123.875 -4.297 18522 6410 1 12 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.096 0.092 18522 6411 1 12 . 1 1 17 17 ALA C C 29 178.763 178.763 178.265 0.498 18522 6412 1 12 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.637 -0.203 18522 6413 1 12 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.716 -0.423 18522 6414 1 12 . 1 1 17 17 ALA H H 29 8.392 8.392 8.709 -0.317 18522 6415 1 12 . 1 1 18 18 GLN N N 30 117.564 117.564 116.738 0.826 18522 6416 1 12 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.349 0.050 18522 6417 1 12 . 1 1 18 18 GLN C C 30 175.168 175.168 175.590 -0.422 18522 6418 1 12 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.187 0.152 18522 6419 1 12 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.305 -0.716 18522 6420 1 12 . 1 1 18 18 GLN H H 30 8.353 8.353 7.933 0.420 18522 6421 1 12 . 1 1 19 19 ASN N N 31 115.365 115.365 116.496 -1.131 18522 6422 1 12 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.416 -0.101 18522 6423 1 12 . 1 1 19 19 ASN C C 31 174.043 174.043 172.915 1.128 18522 6424 1 12 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.324 -0.021 18522 6425 1 12 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.603 0.007 18522 6426 1 12 . 1 1 19 19 ASN H H 31 8.521 8.521 8.324 0.197 18522 6427 1 12 . 1 1 20 20 LEU N N 32 118.660 118.660 112.166 6.494 18522 6428 1 12 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.836 0.064 18522 6429 1 12 . 1 1 20 20 LEU C C 32 178.117 178.117 176.325 1.792 18522 6430 1 12 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.610 0.347 18522 6431 1 12 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.711 1.063 18522 6432 1 12 . 1 1 20 20 LEU H H 32 8.155 8.155 7.403 0.752 18522 6433 1 12 . 1 1 21 21 ILE N N 33 116.785 116.785 115.220 1.565 18522 6434 1 12 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.623 0.051 18522 6435 1 12 . 1 1 21 21 ILE C C 33 176.185 176.185 176.763 -0.578 18522 6436 1 12 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.148 1.454 18522 6437 1 12 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.148 -0.132 18522 6438 1 12 . 1 1 21 21 ILE H H 33 11.488 11.488 8.577 2.911 18522 6439 1 12 . 1 1 22 22 GLY N N 34 111.234 111.234 109.202 2.032 18522 6440 1 12 . 1 1 22 22 GLY C C 34 173.993 173.993 173.541 0.452 18522 6441 1 12 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.464 0.516 18522 6442 1 12 . 1 1 22 22 GLY H H 34 9.854 9.854 8.876 0.978 18522 6443 1 12 . 1 1 23 23 ILE N N 35 111.117 111.117 113.914 -2.797 18522 6444 1 12 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.182 0.353 18522 6445 1 12 . 1 1 23 23 ILE C C 35 175.033 175.033 174.378 0.655 18522 6446 1 12 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.766 0.649 18522 6447 1 12 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.216 0.361 18522 6448 1 12 . 1 1 23 23 ILE H H 35 7.835 7.835 7.523 0.312 18522 6449 1 12 . 1 1 24 24 SER N N 36 114.908 114.908 115.642 -0.734 18522 6450 1 12 . 1 1 24 24 SER HA H 36 4.232 4.232 5.032 -0.800 18522 6451 1 12 . 1 1 24 24 SER C C 36 174.735 174.735 172.942 1.793 18522 6452 1 12 . 1 1 24 24 SER CA C 36 56.121 56.121 57.081 -0.960 18522 6453 1 12 . 1 1 24 24 SER CB C 36 66.097 66.097 65.742 0.355 18522 6454 1 12 . 1 1 24 24 SER H H 36 8.623 8.623 8.426 0.197 18522 6455 1 12 . 1 1 25 25 ILE N N 37 117.739 117.739 124.998 -7.259 18522 6456 1 12 . 1 1 25 25 ILE C C 37 174.340 174.340 175.630 -1.290 18522 6457 1 12 . 1 1 25 25 ILE CA C 37 59.123 59.123 58.738 0.385 18522 6458 1 12 . 1 1 25 25 ILE CB C 37 41.637 41.637 40.066 1.571 18522 6459 1 12 . 1 1 25 25 ILE H H 37 9.130 9.130 8.706 0.424 18522 6460 1 12 . 1 1 26 26 GLY N N 38 108.069 108.069 112.802 -4.733 18522 6461 1 12 . 1 1 26 26 GLY CA C 38 44.112 44.112 45.190 -1.078 18522 6462 1 12 . 1 1 26 26 GLY H H 38 8.841 8.841 8.620 0.221 18522 6463 1 12 . 1 1 27 27 GLY N N 39 109.016 109.016 109.592 -0.576 18522 6464 1 12 . 1 1 27 27 GLY C C 39 173.956 173.956 174.180 -0.224 18522 6465 1 12 . 1 1 27 27 GLY H H 39 8.187 8.187 8.694 -0.507 18522 6466 1 12 . 1 1 28 28 GLY N N 40 111.783 111.783 113.919 -2.136 18522 6467 1 12 . 1 1 28 28 GLY C C 40 174.255 174.255 172.929 1.326 18522 6468 1 12 . 1 1 28 28 GLY CA C 40 47.098 47.098 44.728 2.370 18522 6469 1 12 . 1 1 28 28 GLY H H 40 8.275 8.275 7.945 0.330 18522 6470 1 12 . 1 1 29 29 ALA N N 41 123.128 123.128 127.303 -4.175 18522 6471 1 12 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.263 0.296 18522 6472 1 12 . 1 1 29 29 ALA CA C 41 51.073 51.073 53.084 -2.011 18522 6473 1 12 . 1 1 29 29 ALA CB C 41 21.926 21.926 19.900 2.026 18522 6474 1 12 . 1 1 29 29 ALA H H 41 8.012 8.012 8.067 -0.055 18522 6475 1 12 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.064 0.485 18522 6476 1 12 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.095 -1.948 18522 6477 1 12 . 1 1 31 31 TYR CB C 43 37.495 37.495 36.981 0.514 18522 6478 1 12 . 1 1 32 32 CYS N N 44 119.332 119.332 115.924 3.408 18522 6479 1 12 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.484 0.375 18522 6480 1 12 . 1 1 32 32 CYS CA C 44 57.406 57.406 59.876 -2.470 18522 6481 1 12 . 1 1 32 32 CYS CB C 44 27.673 27.673 27.711 -0.038 18522 6482 1 12 . 1 1 32 32 CYS H H 44 7.504 7.504 7.818 -0.314 18522 6483 1 12 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.414 -0.001 18522 6484 1 12 . 1 1 33 33 PRO CA C 45 64.885 64.885 62.871 2.014 18522 6485 1 12 . 1 1 33 33 PRO CB C 45 32.318 32.318 31.585 0.733 18522 6486 1 12 . 1 1 34 34 CYS N N 46 117.327 117.327 123.599 -6.272 18522 6487 1 12 . 1 1 34 34 CYS C C 46 172.064 172.064 175.988 -3.924 18522 6488 1 12 . 1 1 34 34 CYS CA C 46 60.066 60.066 62.490 -2.425 18522 6489 1 12 . 1 1 34 34 CYS CB C 46 28.715 28.715 27.851 0.864 18522 6490 1 12 . 1 1 34 34 CYS H H 46 7.973 7.973 8.545 -0.572 18522 6491 1 12 . 1 1 35 35 LEU N N 47 124.270 124.270 116.468 7.802 18522 6492 1 12 . 1 1 35 35 LEU HA H 47 4.928 4.928 3.569 1.359 18522 6493 1 12 . 1 1 35 35 LEU C C 47 175.076 175.076 176.899 -1.823 18522 6494 1 12 . 1 1 35 35 LEU CA C 47 53.278 53.278 57.510 -4.232 18522 6495 1 12 . 1 1 35 35 LEU CB C 47 44.321 44.321 39.597 4.724 18522 6496 1 12 . 1 1 35 35 LEU H H 47 8.629 8.629 8.682 -0.053 18522 6497 1 12 . 1 1 36 36 TYR N N 48 119.326 119.326 111.645 7.681 18522 6498 1 12 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.152 1.103 18522 6499 1 12 . 1 1 36 36 TYR C C 48 175.766 175.766 175.740 0.026 18522 6500 1 12 . 1 1 36 36 TYR CA C 48 56.696 56.696 60.338 -3.642 18522 6501 1 12 . 1 1 36 36 TYR CB C 48 42.590 42.590 36.420 6.170 18522 6502 1 12 . 1 1 36 36 TYR H H 48 8.761 8.761 8.490 0.271 18522 6503 1 12 . 1 1 37 37 ILE N N 49 120.259 120.259 121.517 -1.258 18522 6504 1 12 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.799 -0.584 18522 6505 1 12 . 1 1 37 37 ILE C C 49 177.429 177.429 176.345 1.084 18522 6506 1 12 . 1 1 37 37 ILE CA C 49 62.456 62.456 59.669 2.787 18522 6507 1 12 . 1 1 37 37 ILE CB C 49 37.352 37.352 37.483 -0.131 18522 6508 1 12 . 1 1 37 37 ILE H H 49 8.959 8.959 7.618 1.341 18522 6509 1 12 . 1 1 38 38 VAL HA H 50 3.937 3.937 3.983 -0.046 18522 6510 1 12 . 1 1 38 38 VAL C C 50 174.408 174.408 175.383 -0.975 18522 6511 1 12 . 1 1 38 38 VAL CA C 50 62.259 62.259 64.481 -2.222 18522 6512 1 12 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.466 -0.882 18522 6513 1 12 . 1 1 39 39 GLN N N 51 116.821 116.821 114.876 1.945 18522 6514 1 12 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.441 -0.338 18522 6515 1 12 . 1 1 39 39 GLN C C 51 172.856 172.856 173.086 -0.230 18522 6516 1 12 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.118 0.009 18522 6517 1 12 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.035 0.341 18522 6518 1 12 . 1 1 39 39 GLN H H 51 6.967 6.967 7.521 -0.554 18522 6519 1 12 . 1 1 40 40 VAL N N 52 123.482 123.482 118.567 4.915 18522 6520 1 12 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.622 -0.345 18522 6521 1 12 . 1 1 40 40 VAL C C 52 176.198 176.198 173.923 2.275 18522 6522 1 12 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.861 1.713 18522 6523 1 12 . 1 1 40 40 VAL CB C 52 32.875 32.875 35.841 -2.966 18522 6524 1 12 . 1 1 40 40 VAL H H 52 8.447 8.447 8.164 0.283 18522 6525 1 12 . 1 1 41 41 PHE N N 53 128.296 128.296 123.126 5.170 18522 6526 1 12 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.853 -0.453 18522 6527 1 12 . 1 1 41 41 PHE C C 53 175.299 175.299 176.342 -1.043 18522 6528 1 12 . 1 1 41 41 PHE CA C 53 58.494 58.494 56.407 2.087 18522 6529 1 12 . 1 1 41 41 PHE CB C 53 39.561 39.561 40.449 -0.888 18522 6530 1 12 . 1 1 41 41 PHE H H 53 8.707 8.707 8.517 0.190 18522 6531 1 12 . 1 1 42 42 ASP N N 54 122.696 122.696 124.115 -1.419 18522 6532 1 12 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.347 -0.075 18522 6533 1 12 . 1 1 42 42 ASP C C 54 176.837 176.837 176.269 0.568 18522 6534 1 12 . 1 1 42 42 ASP CA C 54 55.291 55.291 57.432 -2.141 18522 6535 1 12 . 1 1 42 42 ASP CB C 54 41.093 41.093 40.981 0.112 18522 6536 1 12 . 1 1 42 42 ASP H H 54 8.901 8.901 9.029 -0.128 18522 6537 1 12 . 1 1 43 43 ASN N N 55 113.923 113.923 114.272 -0.349 18522 6538 1 12 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.829 -0.571 18522 6539 1 12 . 1 1 43 43 ASN C C 55 173.714 173.714 175.286 -1.572 18522 6540 1 12 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.086 1.872 18522 6541 1 12 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.507 -2.357 18522 6542 1 12 . 1 1 43 43 ASN H H 55 9.319 9.319 8.082 1.237 18522 6543 1 12 . 1 1 44 44 THR N N 56 108.020 108.020 113.685 -5.665 18522 6544 1 12 . 1 1 44 44 THR HA H 56 5.377 5.377 4.995 0.382 18522 6545 1 12 . 1 1 44 44 THR CA C 56 59.712 59.712 59.332 0.380 18522 6546 1 12 . 1 1 44 44 THR CB C 56 69.529 69.529 70.857 -1.328 18522 6547 1 12 . 1 1 44 44 THR H H 56 7.149 7.149 7.930 -0.781 18522 6548 1 12 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.105 0.199 18522 6549 1 12 . 1 1 45 45 PRO C C 57 180.141 180.141 178.292 1.849 18522 6550 1 12 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.674 0.416 18522 6551 1 12 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.448 1.746 18522 6552 1 12 . 1 1 46 46 ALA N N 58 116.854 116.854 120.147 -3.293 18522 6553 1 12 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.005 0.030 18522 6554 1 12 . 1 1 46 46 ALA C C 58 180.647 180.647 179.439 1.208 18522 6555 1 12 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.320 -0.125 18522 6556 1 12 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.129 0.751 18522 6557 1 12 . 1 1 46 46 ALA H H 58 8.938 8.938 7.862 1.076 18522 6558 1 12 . 1 1 47 47 ALA N N 59 123.250 123.250 120.333 2.917 18522 6559 1 12 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.025 0.005 18522 6560 1 12 . 1 1 47 47 ALA C C 59 179.852 179.852 179.416 0.436 18522 6561 1 12 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.398 0.541 18522 6562 1 12 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.745 0.943 18522 6563 1 12 . 1 1 47 47 ALA H H 59 7.658 7.658 7.342 0.316 18522 6564 1 12 . 1 1 48 48 LEU N N 60 118.654 118.654 119.747 -1.093 18522 6565 1 12 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.145 -0.119 18522 6566 1 12 . 1 1 48 48 LEU C C 60 179.238 179.238 178.606 0.632 18522 6567 1 12 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.127 -0.866 18522 6568 1 12 . 1 1 48 48 LEU CB C 60 41.445 41.445 40.867 0.578 18522 6569 1 12 . 1 1 48 48 LEU H H 60 8.636 8.636 8.529 0.107 18522 6570 1 12 . 1 1 49 49 ASP N N 61 117.382 117.382 116.578 0.804 18522 6571 1 12 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.647 -0.226 18522 6572 1 12 . 1 1 49 49 ASP C C 61 177.668 177.668 177.894 -0.226 18522 6573 1 12 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.828 2.259 18522 6574 1 12 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.783 2.695 18522 6575 1 12 . 1 1 49 49 ASP H H 61 7.665 7.665 7.960 -0.295 18522 6576 1 12 . 1 1 50 50 GLY N N 62 103.228 103.228 107.907 -4.679 18522 6577 1 12 . 1 1 50 50 GLY C C 62 174.776 174.776 175.436 -0.660 18522 6578 1 12 . 1 1 50 50 GLY CA C 62 46.533 46.533 45.950 0.583 18522 6579 1 12 . 1 1 50 50 GLY H H 62 7.216 7.216 8.473 -1.257 18522 6580 1 12 . 1 1 51 51 THR N N 63 117.230 117.230 111.010 6.220 18522 6581 1 12 . 1 1 51 51 THR HA H 63 3.907 3.907 3.873 0.034 18522 6582 1 12 . 1 1 51 51 THR C C 63 175.961 175.961 174.988 0.973 18522 6583 1 12 . 1 1 51 51 THR CA C 63 66.478 66.478 63.471 3.007 18522 6584 1 12 . 1 1 51 51 THR CB C 63 68.268 68.268 66.186 2.082 18522 6585 1 12 . 1 1 51 51 THR H H 63 8.319 8.319 8.034 0.285 18522 6586 1 12 . 1 1 52 52 VAL N N 64 113.826 113.826 115.614 -1.788 18522 6587 1 12 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.669 -0.719 18522 6588 1 12 . 1 1 52 52 VAL C C 64 173.883 173.883 175.340 -1.457 18522 6589 1 12 . 1 1 52 52 VAL CA C 64 60.708 60.708 60.774 -0.066 18522 6590 1 12 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.166 2.913 18522 6591 1 12 . 1 1 52 52 VAL H H 64 8.147 8.147 7.589 0.558 18522 6592 1 12 . 1 1 53 53 ALA N N 65 123.521 123.521 125.719 -2.198 18522 6593 1 12 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.390 0.024 18522 6594 1 12 . 1 1 53 53 ALA C C 65 175.247 175.247 176.961 -1.714 18522 6595 1 12 . 1 1 53 53 ALA CA C 65 50.440 50.440 51.078 -0.638 18522 6596 1 12 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.111 3.155 18522 6597 1 12 . 1 1 53 53 ALA H H 65 8.633 8.633 7.655 0.978 18522 6598 1 12 . 1 1 54 54 ALA N N 66 120.818 120.818 121.420 -0.602 18522 6599 1 12 . 1 1 54 54 ALA HA H 66 3.720 3.720 4.006 -0.286 18522 6600 1 12 . 1 1 54 54 ALA C C 66 178.411 178.411 178.521 -0.110 18522 6601 1 12 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.451 -0.435 18522 6602 1 12 . 1 1 54 54 ALA CB C 66 17.840 17.840 18.567 -0.727 18522 6603 1 12 . 1 1 54 54 ALA H H 66 8.451 8.451 8.124 0.327 18522 6604 1 12 . 1 1 55 55 GLY N N 67 112.260 112.260 112.935 -0.675 18522 6605 1 12 . 1 1 55 55 GLY C C 67 173.296 173.296 174.211 -0.915 18522 6606 1 12 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.630 0.395 18522 6607 1 12 . 1 1 55 55 GLY H H 67 9.600 9.600 8.331 1.269 18522 6608 1 12 . 1 1 56 56 ASP N N 68 121.293 121.293 121.849 -0.556 18522 6609 1 12 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.583 0.278 18522 6610 1 12 . 1 1 56 56 ASP C C 68 174.937 174.937 173.634 1.303 18522 6611 1 12 . 1 1 56 56 ASP CA C 68 55.641 55.641 53.557 2.084 18522 6612 1 12 . 1 1 56 56 ASP CB C 68 40.696 40.696 43.136 -2.440 18522 6613 1 12 . 1 1 56 56 ASP H H 68 8.043 8.043 7.495 0.548 18522 6614 1 12 . 1 1 57 57 GLU N N 69 122.814 122.814 120.405 2.409 18522 6615 1 12 . 1 1 57 57 GLU C C 69 177.202 177.202 175.966 1.236 18522 6616 1 12 . 1 1 57 57 GLU CA C 69 54.472 54.472 54.526 -0.055 18522 6617 1 12 . 1 1 57 57 GLU CB C 69 32.800 32.800 30.959 1.841 18522 6618 1 12 . 1 1 57 57 GLU H H 69 8.455 8.455 7.840 0.615 18522 6619 1 12 . 1 1 58 58 ILE N N 70 125.862 125.862 126.678 -0.816 18522 6620 1 12 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.357 0.169 18522 6621 1 12 . 1 1 58 58 ILE C C 70 175.035 175.035 176.454 -1.419 18522 6622 1 12 . 1 1 58 58 ILE CA C 70 60.918 60.918 60.790 0.128 18522 6623 1 12 . 1 1 58 58 ILE CB C 70 39.236 39.236 35.965 3.271 18522 6624 1 12 . 1 1 58 58 ILE H H 70 8.619 8.619 8.120 0.499 18522 6625 1 12 . 1 1 59 59 THR N N 71 115.507 115.507 121.084 -5.577 18522 6626 1 12 . 1 1 59 59 THR HA H 71 4.513 4.513 4.567 -0.054 18522 6627 1 12 . 1 1 59 59 THR C C 71 176.425 176.425 174.372 2.053 18522 6628 1 12 . 1 1 59 59 THR CA C 71 61.158 61.158 64.147 -2.989 18522 6629 1 12 . 1 1 59 59 THR CB C 71 69.604 69.604 70.143 -0.539 18522 6630 1 12 . 1 1 59 59 THR H H 71 9.242 9.242 8.779 0.463 18522 6631 1 12 . 1 1 60 60 GLY N N 72 111.789 111.789 107.284 4.505 18522 6632 1 12 . 1 1 60 60 GLY C C 72 170.981 170.981 171.121 -0.140 18522 6633 1 12 . 1 1 60 60 GLY CA C 72 46.554 46.554 44.839 1.715 18522 6634 1 12 . 1 1 60 60 GLY H H 72 7.883 7.883 7.484 0.399 18522 6635 1 12 . 1 1 61 61 VAL N N 73 119.277 119.277 118.726 0.551 18522 6636 1 12 . 1 1 61 61 VAL C C 73 175.951 175.951 175.721 0.230 18522 6637 1 12 . 1 1 61 61 VAL CA C 73 60.982 60.982 58.786 2.196 18522 6638 1 12 . 1 1 61 61 VAL CB C 73 36.197 36.197 35.274 0.923 18522 6639 1 12 . 1 1 61 61 VAL H H 73 8.424 8.424 8.737 -0.313 18522 6640 1 12 . 1 1 62 62 ASN N N 74 127.731 127.731 126.301 1.430 18522 6641 1 12 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.261 0.259 18522 6642 1 12 . 1 1 62 62 ASN C C 74 174.878 174.878 175.269 -0.391 18522 6643 1 12 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.348 0.070 18522 6644 1 12 . 1 1 62 62 ASN CB C 74 36.655 36.655 37.886 -1.231 18522 6645 1 12 . 1 1 62 62 ASN H H 74 10.384 10.384 8.752 1.632 18522 6646 1 12 . 1 1 63 63 GLY N N 75 104.633 104.633 103.503 1.130 18522 6647 1 12 . 1 1 63 63 GLY C C 75 173.610 173.610 173.752 -0.142 18522 6648 1 12 . 1 1 63 63 GLY CA C 75 45.261 45.261 45.054 0.207 18522 6649 1 12 . 1 1 63 63 GLY H H 75 8.926 8.926 8.400 0.526 18522 6650 1 12 . 1 1 64 64 ARG N N 76 120.451 120.451 121.738 -1.287 18522 6651 1 12 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.696 -0.195 18522 6652 1 12 . 1 1 64 64 ARG C C 76 175.085 175.085 175.886 -0.801 18522 6653 1 12 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.141 0.112 18522 6654 1 12 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.526 -0.044 18522 6655 1 12 . 1 1 64 64 ARG H H 76 7.753 7.753 8.008 -0.255 18522 6656 1 12 . 1 1 65 65 SER N N 77 116.586 116.586 118.736 -2.150 18522 6657 1 12 . 1 1 65 65 SER HA H 77 4.483 4.483 4.686 -0.203 18522 6658 1 12 . 1 1 65 65 SER C C 77 176.953 176.953 175.250 1.703 18522 6659 1 12 . 1 1 65 65 SER CA C 77 58.292 58.292 59.659 -1.367 18522 6660 1 12 . 1 1 65 65 SER CB C 77 63.643 63.643 63.741 -0.098 18522 6661 1 12 . 1 1 65 65 SER H H 77 8.555 8.555 8.789 -0.234 18522 6662 1 12 . 1 1 66 66 ILE N N 78 116.618 116.618 119.581 -2.963 18522 6663 1 12 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.167 0.253 18522 6664 1 12 . 1 1 66 66 ILE C C 78 175.072 175.072 177.521 -2.449 18522 6665 1 12 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.261 -2.139 18522 6666 1 12 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.382 -0.624 18522 6667 1 12 . 1 1 66 66 ILE H H 78 7.599 7.599 8.156 -0.557 18522 6668 1 12 . 1 1 67 67 LYS N N 79 123.287 123.287 122.583 0.704 18522 6669 1 12 . 1 1 67 67 LYS HA H 79 4.049 4.049 3.907 0.142 18522 6670 1 12 . 1 1 67 67 LYS C C 79 178.333 178.333 177.964 0.369 18522 6671 1 12 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.307 0.014 18522 6672 1 12 . 1 1 67 67 LYS CB C 79 31.635 31.635 31.768 -0.133 18522 6673 1 12 . 1 1 67 67 LYS H H 79 7.898 7.898 8.002 -0.104 18522 6674 1 12 . 1 1 68 68 GLY N N 80 114.933 114.933 105.345 9.588 18522 6675 1 12 . 1 1 68 68 GLY C C 80 174.385 174.385 174.452 -0.067 18522 6676 1 12 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.881 -0.363 18522 6677 1 12 . 1 1 68 68 GLY H H 80 8.999 8.999 8.320 0.679 18522 6678 1 12 . 1 1 69 69 LYS N N 81 119.403 119.403 119.197 0.206 18522 6679 1 12 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.597 -0.554 18522 6680 1 12 . 1 1 69 69 LYS C C 81 177.064 177.064 174.729 2.335 18522 6681 1 12 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.033 -0.311 18522 6682 1 12 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.226 0.334 18522 6683 1 12 . 1 1 69 69 LYS H H 81 7.845 7.845 7.828 0.017 18522 6684 1 12 . 1 1 70 70 THR N N 82 112.066 112.066 108.701 3.365 18522 6685 1 12 . 1 1 70 70 THR HA H 82 4.666 4.666 4.665 0.001 18522 6686 1 12 . 1 1 70 70 THR C C 82 175.955 175.955 175.586 0.369 18522 6687 1 12 . 1 1 70 70 THR CA C 82 60.438 60.438 59.772 0.666 18522 6688 1 12 . 1 1 70 70 THR CB C 82 71.629 71.629 72.378 -0.749 18522 6689 1 12 . 1 1 70 70 THR H H 82 9.153 9.153 7.731 1.422 18522 6690 1 12 . 1 1 71 71 LYS N N 83 118.730 118.730 122.500 -3.770 18522 6691 1 12 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.877 -0.007 18522 6692 1 12 . 1 1 71 71 LYS C C 83 177.464 177.464 178.274 -0.810 18522 6693 1 12 . 1 1 71 71 LYS CA C 83 60.357 60.357 60.527 -0.170 18522 6694 1 12 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.670 -0.320 18522 6695 1 12 . 1 1 71 71 LYS H H 83 8.969 8.969 8.934 0.035 18522 6696 1 12 . 1 1 72 72 VAL N N 84 117.444 117.444 119.628 -2.184 18522 6697 1 12 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.632 0.001 18522 6698 1 12 . 1 1 72 72 VAL C C 84 178.315 178.315 177.547 0.768 18522 6699 1 12 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.855 0.224 18522 6700 1 12 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.658 0.433 18522 6701 1 12 . 1 1 72 72 VAL H H 84 7.631 7.631 8.244 -0.613 18522 6702 1 12 . 1 1 73 73 GLU N N 85 120.890 120.890 119.468 1.422 18522 6703 1 12 . 1 1 73 73 GLU HA H 85 3.964 3.964 3.985 -0.021 18522 6704 1 12 . 1 1 73 73 GLU C C 85 179.971 179.971 178.775 1.196 18522 6705 1 12 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.483 -0.167 18522 6706 1 12 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.832 0.523 18522 6707 1 12 . 1 1 73 73 GLU H H 85 7.617 7.617 7.581 0.036 18522 6708 1 12 . 1 1 74 74 VAL N N 86 121.246 121.246 118.821 2.425 18522 6709 1 12 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.679 -0.049 18522 6710 1 12 . 1 1 74 74 VAL C C 86 177.217 177.217 177.620 -0.403 18522 6711 1 12 . 1 1 74 74 VAL CA C 86 66.678 66.678 66.106 0.572 18522 6712 1 12 . 1 1 74 74 VAL CB C 86 31.307 31.307 31.000 0.307 18522 6713 1 12 . 1 1 74 74 VAL H H 86 8.368 8.368 8.185 0.183 18522 6714 1 12 . 1 1 75 75 ALA N N 87 122.148 122.148 122.194 -0.046 18522 6715 1 12 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.943 0.004 18522 6716 1 12 . 1 1 75 75 ALA C C 87 179.545 179.545 179.228 0.317 18522 6717 1 12 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.316 0.535 18522 6718 1 12 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.989 0.502 18522 6719 1 12 . 1 1 75 75 ALA H H 87 8.577 8.577 8.134 0.443 18522 6720 1 12 . 1 1 76 76 LYS N N 88 117.733 117.733 120.185 -2.452 18522 6721 1 12 . 1 1 76 76 LYS HA H 88 4.051 4.051 4.263 -0.212 18522 6722 1 12 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.067 0.326 18522 6723 1 12 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.408 -0.350 18522 6724 1 12 . 1 1 76 76 LYS H H 88 7.854 7.854 7.501 0.353 18522 6725 1 12 . 1 1 77 77 MET N N 89 117.676 117.676 118.023 -0.347 18522 6726 1 12 . 1 1 77 77 MET HA H 89 4.048 4.048 4.108 -0.060 18522 6727 1 12 . 1 1 77 77 MET C C 89 178.791 178.791 178.905 -0.114 18522 6728 1 12 . 1 1 77 77 MET CA C 89 59.128 59.128 58.254 0.874 18522 6729 1 12 . 1 1 77 77 MET CB C 89 33.801 33.801 31.747 2.054 18522 6730 1 12 . 1 1 77 77 MET H H 89 7.759 7.759 8.444 -0.685 18522 6731 1 12 . 1 1 78 78 ILE N N 90 117.305 117.305 119.854 -2.549 18522 6732 1 12 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.537 0.053 18522 6733 1 12 . 1 1 78 78 ILE C C 90 178.658 178.658 178.013 0.645 18522 6734 1 12 . 1 1 78 78 ILE CA C 90 65.482 65.482 65.466 0.016 18522 6735 1 12 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.529 1.316 18522 6736 1 12 . 1 1 78 78 ILE H H 90 7.972 7.972 7.658 0.314 18522 6737 1 12 . 1 1 79 79 GLN N N 91 120.935 120.935 119.197 1.738 18522 6738 1 12 . 1 1 79 79 GLN HA H 91 3.998 3.998 3.949 0.049 18522 6739 1 12 . 1 1 79 79 GLN C C 91 178.274 178.274 178.644 -0.370 18522 6740 1 12 . 1 1 79 79 GLN CA C 91 59.151 59.151 58.630 0.521 18522 6741 1 12 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.691 0.243 18522 6742 1 12 . 1 1 79 79 GLN H H 91 8.826 8.826 8.202 0.624 18522 6743 1 12 . 1 1 80 80 GLU N N 92 115.213 115.213 119.587 -4.374 18522 6744 1 12 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.066 -0.005 18522 6745 1 12 . 1 1 80 80 GLU C C 92 176.824 176.824 178.889 -2.065 18522 6746 1 12 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.099 -1.093 18522 6747 1 12 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.783 0.107 18522 6748 1 12 . 1 1 80 80 GLU H H 92 8.020 8.020 8.121 -0.101 18522 6749 1 12 . 1 1 81 81 VAL N N 93 119.047 119.047 114.237 4.810 18522 6750 1 12 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.812 0.118 18522 6751 1 12 . 1 1 81 81 VAL C C 93 176.016 176.016 175.726 0.290 18522 6752 1 12 . 1 1 81 81 VAL CA C 93 63.153 63.153 63.544 -0.391 18522 6753 1 12 . 1 1 81 81 VAL CB C 93 32.154 32.154 32.056 0.098 18522 6754 1 12 . 1 1 81 81 VAL H H 93 7.073 7.073 7.541 -0.468 18522 6755 1 12 . 1 1 82 82 LYS N N 94 128.366 128.366 119.099 9.267 18522 6756 1 12 . 1 1 82 82 LYS C C 94 177.460 177.460 177.135 0.325 18522 6757 1 12 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.087 -1.334 18522 6758 1 12 . 1 1 82 82 LYS CB C 94 32.332 32.332 32.493 -0.161 18522 6759 1 12 . 1 1 82 82 LYS H H 94 8.762 8.762 7.404 1.358 18522 6760 1 12 . 1 1 83 83 GLY N N 95 112.528 112.528 113.147 -0.619 18522 6761 1 12 . 1 1 83 83 GLY C C 95 173.468 173.468 173.043 0.425 18522 6762 1 12 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.432 0.811 18522 6763 1 12 . 1 1 83 83 GLY H H 95 8.673 8.673 8.755 -0.082 18522 6764 1 12 . 1 1 84 84 GLU N N 96 121.485 121.485 121.007 0.478 18522 6765 1 12 . 1 1 84 84 GLU HA H 96 4.749 4.749 5.301 -0.552 18522 6766 1 12 . 1 1 84 84 GLU C C 96 174.583 174.583 174.497 0.086 18522 6767 1 12 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.527 1.294 18522 6768 1 12 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.199 -1.789 18522 6769 1 12 . 1 1 84 84 GLU H H 96 8.297 8.297 7.749 0.548 18522 6770 1 12 . 1 1 85 85 VAL N N 97 120.501 120.501 113.948 6.553 18522 6771 1 12 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.586 0.079 18522 6772 1 12 . 1 1 85 85 VAL C C 97 173.047 173.047 174.023 -0.976 18522 6773 1 12 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.439 -0.325 18522 6774 1 12 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.706 -0.522 18522 6775 1 12 . 1 1 85 85 VAL H H 97 9.096 9.096 8.525 0.571 18522 6776 1 12 . 1 1 86 86 THR N N 98 125.019 125.019 115.999 9.020 18522 6777 1 12 . 1 1 86 86 THR HA H 98 4.076 4.076 4.650 -0.574 18522 6778 1 12 . 1 1 86 86 THR C C 98 173.807 173.807 174.134 -0.327 18522 6779 1 12 . 1 1 86 86 THR CA C 98 61.735 61.735 60.458 1.277 18522 6780 1 12 . 1 1 86 86 THR CB C 98 69.531 69.531 69.950 -0.419 18522 6781 1 12 . 1 1 86 86 THR H H 98 9.352 9.352 8.131 1.221 18522 6782 1 12 . 1 1 87 87 ILE N N 99 128.383 128.383 123.007 5.376 18522 6783 1 12 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.710 -0.049 18522 6784 1 12 . 1 1 87 87 ILE C C 99 174.614 174.614 174.483 0.131 18522 6785 1 12 . 1 1 87 87 ILE CA C 99 58.258 58.258 58.825 -0.567 18522 6786 1 12 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.562 -0.034 18522 6787 1 12 . 1 1 87 87 ILE H H 99 9.329 9.329 8.326 1.003 18522 6788 1 12 . 1 1 88 88 HIS N N 100 128.279 128.279 126.821 1.458 18522 6789 1 12 . 1 1 88 88 HIS HA H 100 4.948 4.948 4.821 0.127 18522 6790 1 12 . 1 1 88 88 HIS C C 100 174.787 174.787 174.480 0.307 18522 6791 1 12 . 1 1 88 88 HIS CA C 100 54.620 54.620 53.796 0.824 18522 6792 1 12 . 1 1 88 88 HIS H H 100 8.647 8.647 8.207 0.440 18522 6793 1 12 . 1 1 89 89 TYR N N 101 121.320 121.320 124.195 -2.875 18522 6794 1 12 . 1 1 89 89 TYR HA H 101 5.947 5.947 4.455 1.492 18522 6795 1 12 . 1 1 89 89 TYR C C 101 173.769 173.769 174.878 -1.109 18522 6796 1 12 . 1 1 89 89 TYR CA C 101 55.669 55.669 58.347 -2.678 18522 6797 1 12 . 1 1 89 89 TYR CB C 101 42.195 42.195 39.828 2.367 18522 6798 1 12 . 1 1 89 89 TYR H H 101 8.414 8.414 8.817 -0.403 18522 6799 1 12 . 1 1 90 90 ASN N N 102 116.679 116.679 114.522 2.157 18522 6800 1 12 . 1 1 90 90 ASN HA H 102 5.335 5.335 4.919 0.416 18522 6801 1 12 . 1 1 90 90 ASN C C 102 175.406 175.406 174.034 1.372 18522 6802 1 12 . 1 1 90 90 ASN CA C 102 51.961 51.961 53.425 -1.464 18522 6803 1 12 . 1 1 90 90 ASN CB C 102 41.800 41.800 41.115 0.685 18522 6804 1 12 . 1 1 90 90 ASN H H 102 9.282 9.282 7.817 1.465 18522 6805 1 12 . 1 1 91 91 LYS N N 103 124.129 124.129 118.712 5.417 18522 6806 1 12 . 1 1 91 91 LYS C C 103 176.678 176.678 175.553 1.125 18522 6807 1 12 . 1 1 91 91 LYS CA C 103 55.006 55.006 56.396 -1.390 18522 6808 1 12 . 1 1 91 91 LYS H H 103 8.949 8.949 8.425 0.524 18522 6809 1 12 . 1 1 92 92 LEU N N 104 127.043 127.043 115.505 11.538 18522 6810 1 12 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.949 -0.524 18522 6811 1 12 . 1 1 92 92 LEU CA C 104 55.060 55.060 53.798 1.262 18522 6812 1 12 . 1 1 92 92 LEU CB C 104 42.559 42.559 43.063 -0.504 18522 6813 1 12 . 1 1 92 92 LEU H H 104 9.150 9.150 7.773 1.377 18522 6814 1 12 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.407 -0.092 18522 6815 1 12 . 1 1 93 93 GLN C C 105 175.070 175.070 175.573 -0.503 18522 6816 1 12 . 1 1 93 93 GLN CA C 105 55.490 55.490 56.724 -1.234 18522 6817 1 12 . 1 1 93 93 GLN CB C 105 28.909 28.909 29.592 -0.683 18522 6818 1 12 . 1 1 94 94 ALA N N 106 125.133 125.133 121.517 3.616 18522 6819 1 12 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.601 -0.235 18522 6820 1 12 . 1 1 94 94 ALA C C 106 176.392 176.392 175.415 0.977 18522 6821 1 12 . 1 1 94 94 ALA CA C 106 51.723 51.723 51.086 0.637 18522 6822 1 12 . 1 1 94 94 ALA CB C 106 20.185 20.185 21.219 -1.034 18522 6823 1 12 . 1 1 94 94 ALA H H 106 8.226 8.226 7.698 0.528 18522 6824 1 12 . 1 1 95 95 ASP N N 107 122.013 122.013 119.842 2.171 18522 6825 1 12 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.988 -0.575 18522 6826 1 12 . 1 1 95 95 ASP C C 107 175.019 175.019 175.076 -0.057 18522 6827 1 12 . 1 1 95 95 ASP CA C 107 55.642 55.642 51.051 4.591 18522 6828 1 12 . 1 1 95 95 ASP CB C 107 41.266 41.266 43.770 -2.503 18522 6829 1 12 . 1 1 95 95 ASP H H 107 8.429 8.429 8.356 0.073 18522 6830 1 12 . 1 1 96 96 PRO HA H 108 4.207 4.207 3.995 0.212 18522 6831 1 12 . 1 1 96 96 PRO C C 108 178.840 178.840 178.122 0.718 18522 6832 1 12 . 1 1 96 96 PRO CA C 108 65.396 65.396 65.904 -0.508 18522 6833 1 12 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.826 0.355 18522 6834 1 12 . 1 1 97 97 LYS N N 109 117.942 117.942 115.443 2.499 18522 6835 1 12 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.007 0.136 18522 6836 1 12 . 1 1 97 97 LYS C C 109 178.099 178.099 179.404 -1.305 18522 6837 1 12 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.085 -0.918 18522 6838 1 12 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.496 0.153 18522 6839 1 12 . 1 1 97 97 LYS H H 109 8.335 8.335 7.767 0.568 18522 6840 1 12 . 1 1 98 98 GLN N N 110 119.159 119.159 118.022 1.137 18522 6841 1 12 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.377 -0.247 18522 6842 1 12 . 1 1 98 98 GLN C C 110 178.298 178.298 177.967 0.331 18522 6843 1 12 . 1 1 98 98 GLN CA C 110 57.660 57.660 56.957 0.703 18522 6844 1 12 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.819 -0.099 18522 6845 1 12 . 1 1 98 98 GLN H H 110 7.985 7.985 8.214 -0.229 18522 6846 1 12 . 1 1 99 99 LEU N N 111 120.490 120.490 122.784 -2.294 18522 6847 1 12 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.096 -0.219 18522 6848 1 12 . 1 1 99 99 LEU C C 111 177.729 177.729 178.317 -0.588 18522 6849 1 12 . 1 1 99 99 LEU CA C 111 57.049 57.049 57.888 -0.839 18522 6850 1 12 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.657 -0.191 18522 6851 1 12 . 1 1 99 99 LEU H H 111 7.994 7.994 8.563 -0.569 18522 6852 1 12 . 1 1 100 100 GLU N N 112 118.251 118.251 118.579 -0.328 18522 6853 1 12 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.161 -0.189 18522 6854 1 12 . 1 1 100 100 GLU C C 112 178.402 178.402 178.952 -0.550 18522 6855 1 12 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.167 -0.111 18522 6856 1 12 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.014 0.718 18522 6857 1 12 . 1 1 100 100 GLU H H 112 7.760 7.760 8.153 -0.393 18522 6858 1 12 . 1 1 101 101 VAL N N 113 117.229 117.229 119.560 -2.331 18522 6859 1 12 . 1 1 101 101 VAL HA H 113 3.762 3.762 4.123 -0.361 18522 6860 1 12 . 1 1 101 101 VAL C C 113 178.107 178.107 178.710 -0.603 18522 6861 1 12 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.335 -0.544 18522 6862 1 12 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.957 0.192 18522 6863 1 12 . 1 1 101 101 VAL H H 113 7.437 7.437 7.364 0.073 18522 6864 1 12 . 1 1 102 102 LEU N N 114 122.124 122.124 119.924 2.200 18522 6865 1 12 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.087 -0.054 18522 6866 1 12 . 1 1 102 102 LEU C C 114 178.506 178.506 178.153 0.353 18522 6867 1 12 . 1 1 102 102 LEU CA C 114 57.243 57.243 57.112 0.131 18522 6868 1 12 . 1 1 102 102 LEU CB C 114 42.028 42.028 41.699 0.329 18522 6869 1 12 . 1 1 102 102 LEU H H 114 7.765 7.765 8.082 -0.317 18522 6870 1 12 . 1 1 103 103 PHE N N 115 115.346 115.346 117.304 -1.958 18522 6871 1 12 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.412 -0.188 18522 6872 1 12 . 1 1 103 103 PHE C C 115 175.621 175.621 175.941 -0.320 18522 6873 1 12 . 1 1 103 103 PHE CA C 115 57.537 57.537 58.161 -0.624 18522 6874 1 12 . 1 1 103 103 PHE CB C 115 38.057 38.057 39.325 -1.268 18522 6875 1 12 . 1 1 103 103 PHE H H 115 7.805 7.805 7.723 0.082 18522 6876 1 12 . 1 1 104 104 GLN N N 116 119.021 119.021 119.352 -0.331 18522 6877 1 12 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.270 0.137 18522 6878 1 12 . 1 1 104 104 GLN C C 116 176.402 176.402 175.783 0.619 18522 6879 1 12 . 1 1 104 104 GLN CA C 116 55.521 55.521 55.868 -0.347 18522 6880 1 12 . 1 1 104 104 GLN CB C 116 29.170 29.170 28.796 0.374 18522 6881 1 12 . 1 1 104 104 GLN H H 116 7.974 7.974 7.487 0.487 18522 6882 1 12 . 1 1 105 105 GLY N N 117 108.868 108.868 107.053 1.815 18522 6883 1 12 . 1 1 105 105 GLY CA C 117 45.124 45.124 44.877 0.247 18522 6884 1 12 . 1 1 105 105 GLY H H 117 8.195 8.195 7.471 0.724 18522 6885 1 12 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.176 0.314 18522 6886 1 12 . 1 1 106 106 PRO C C 118 176.001 176.001 176.809 -0.808 18522 6887 1 12 . 1 1 106 106 PRO CA C 118 63.523 63.523 63.145 0.378 18522 6888 1 12 . 1 1 106 106 PRO CB C 118 32.078 32.078 32.478 -0.400 18522 6889 1 12 . 1 1 107 107 GLN N N 119 126.950 126.950 115.173 11.777 18522 6890 1 12 . 1 1 107 107 GLN C C 119 181.211 181.211 175.162 6.049 18522 6891 1 12 . 1 1 107 107 GLN CA C 119 57.416 57.416 55.983 1.433 18522 6892 1 12 . 1 1 107 107 GLN H H 119 8.079 8.079 8.395 -0.316 18522 6893 1 12 . 1 1 111 111 ARG C C 123 174.608 174.608 175.694 -1.086 18522 6894 1 12 . 1 1 111 111 ARG CA C 123 55.099 55.099 56.509 -1.410 18522 6895 1 12 . 1 1 112 112 HIS N N 124 122.212 122.212 120.135 2.077 18522 6896 1 12 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.802 -0.084 18522 6897 1 12 . 1 1 112 112 HIS C C 124 176.040 176.040 173.789 2.251 18522 6898 1 12 . 1 1 112 112 HIS CA C 124 54.213 54.213 54.337 -0.124 18522 6899 1 12 . 1 1 112 112 HIS CB C 124 31.164 31.164 30.619 0.545 18522 6900 1 12 . 1 1 112 112 HIS H H 124 7.640 7.640 8.156 -0.516 18522 6901 1 12 . 1 1 113 113 TRP C C 125 176.168 176.168 174.361 1.807 18522 6902 1 12 . 1 1 114 114 LEU N N 126 121.893 121.893 123.495 -1.602 18522 6903 1 12 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.773 0.096 18522 6904 1 12 . 1 1 114 114 LEU CA C 126 54.151 54.151 52.959 1.192 18522 6905 1 12 . 1 1 114 114 LEU CB C 126 45.144 45.144 45.579 -0.435 18522 6906 1 12 . 1 1 114 114 LEU H H 126 8.606 8.606 8.446 0.160 18522 6907 1 12 . 1 1 115 115 LYS N N 127 125.850 125.850 119.160 6.690 18522 6908 1 12 . 1 1 115 115 LYS HA H 127 4.203 4.203 4.704 -0.501 18522 6909 1 12 . 1 1 115 115 LYS C C 127 175.564 175.564 174.374 1.190 18522 6910 1 12 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.717 1.535 18522 6911 1 12 . 1 1 115 115 LYS CB C 127 33.406 33.406 35.033 -1.627 18522 6912 1 12 . 1 1 115 115 LYS H H 127 8.647 8.647 8.007 0.640 18522 6913 1 13 . 1 1 3 3 PRO C C 15 177.225 177.225 176.989 0.236 18522 6914 1 13 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.933 0.575 18522 6915 1 13 . 1 1 3 3 PRO CB C 15 32.090 32.090 32.021 0.069 18522 6916 1 13 . 1 1 4 4 GLY N N 16 108.829 108.829 108.886 -0.057 18522 6917 1 13 . 1 1 4 4 GLY C C 16 173.398 173.398 174.417 -1.019 18522 6918 1 13 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.983 0.145 18522 6919 1 13 . 1 1 4 4 GLY H H 16 8.489 8.489 7.921 0.568 18522 6920 1 13 . 1 1 5 5 ILE N N 17 121.763 121.763 116.679 5.084 18522 6921 1 13 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.493 0.061 18522 6922 1 13 . 1 1 5 5 ILE C C 17 174.332 174.332 175.591 -1.259 18522 6923 1 13 . 1 1 5 5 ILE CA C 17 58.245 58.245 59.045 -0.800 18522 6924 1 13 . 1 1 5 5 ILE CB C 17 38.762 38.762 37.567 1.195 18522 6925 1 13 . 1 1 5 5 ILE H H 17 8.014 8.014 7.718 0.296 18522 6926 1 13 . 1 1 6 6 PRO C C 18 176.437 176.437 176.280 0.157 18522 6927 1 13 . 1 1 6 6 PRO CA C 18 62.667 62.667 63.528 -0.861 18522 6928 1 13 . 1 1 6 6 PRO CB C 18 32.469 32.469 31.965 0.504 18522 6929 1 13 . 1 1 7 7 VAL N N 19 123.849 123.849 120.299 3.550 18522 6930 1 13 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.338 0.212 18522 6931 1 13 . 1 1 7 7 VAL C C 19 174.453 174.453 173.967 0.486 18522 6932 1 13 . 1 1 7 7 VAL CA C 19 59.846 59.846 60.057 -0.211 18522 6933 1 13 . 1 1 7 7 VAL CB C 19 33.510 33.510 31.291 2.219 18522 6934 1 13 . 1 1 7 7 VAL H H 19 8.754 8.754 8.114 0.640 18522 6935 1 13 . 1 1 8 8 PRO HA H 20 5.338 5.338 5.006 0.332 18522 6936 1 13 . 1 1 8 8 PRO C C 20 177.585 177.585 176.303 1.282 18522 6937 1 13 . 1 1 8 8 PRO CA C 20 62.406 62.406 61.826 0.580 18522 6938 1 13 . 1 1 8 8 PRO CB C 20 32.891 32.891 32.541 0.349 18522 6939 1 13 . 1 1 9 9 GLY N N 21 108.426 108.426 110.605 -2.179 18522 6940 1 13 . 1 1 9 9 GLY C C 21 171.443 171.443 171.457 -0.014 18522 6941 1 13 . 1 1 9 9 GLY CA C 21 44.581 44.581 44.121 0.460 18522 6942 1 13 . 1 1 9 9 GLY H H 21 8.258 8.258 8.589 -0.331 18522 6943 1 13 . 1 1 10 10 LYS N N 22 117.372 117.372 119.810 -2.438 18522 6944 1 13 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.232 -1.193 18522 6945 1 13 . 1 1 10 10 LYS C C 22 174.463 174.463 174.465 -0.002 18522 6946 1 13 . 1 1 10 10 LYS CA C 22 55.263 55.263 55.493 -0.230 18522 6947 1 13 . 1 1 10 10 LYS CB C 22 35.227 35.227 35.645 -0.418 18522 6948 1 13 . 1 1 10 10 LYS H H 22 8.175 8.175 7.910 0.265 18522 6949 1 13 . 1 1 11 11 VAL N N 23 120.387 120.387 117.891 2.496 18522 6950 1 13 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.518 0.190 18522 6951 1 13 . 1 1 11 11 VAL C C 23 171.873 171.873 174.889 -3.016 18522 6952 1 13 . 1 1 11 11 VAL CA C 23 59.866 59.866 60.207 -0.341 18522 6953 1 13 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.580 -0.311 18522 6954 1 13 . 1 1 11 11 VAL H H 23 8.862 8.862 8.487 0.375 18522 6955 1 13 . 1 1 12 12 THR N N 24 125.797 125.797 120.816 4.981 18522 6956 1 13 . 1 1 12 12 THR HA H 24 5.121 5.121 4.537 0.584 18522 6957 1 13 . 1 1 12 12 THR C C 24 173.407 173.407 173.953 -0.546 18522 6958 1 13 . 1 1 12 12 THR CA C 24 62.115 62.115 61.446 0.669 18522 6959 1 13 . 1 1 12 12 THR CB C 24 69.606 69.606 68.018 1.588 18522 6960 1 13 . 1 1 12 12 THR H H 24 8.859 8.859 8.390 0.469 18522 6961 1 13 . 1 1 13 13 LEU N N 25 127.960 127.960 128.411 -0.451 18522 6962 1 13 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.849 -0.040 18522 6963 1 13 . 1 1 13 13 LEU C C 25 175.029 175.029 175.503 -0.474 18522 6964 1 13 . 1 1 13 13 LEU CA C 25 52.623 52.623 53.172 -0.548 18522 6965 1 13 . 1 1 13 13 LEU CB C 25 46.242 46.242 44.149 2.093 18522 6966 1 13 . 1 1 13 13 LEU H H 25 9.258 9.258 7.933 1.325 18522 6967 1 13 . 1 1 14 14 GLN N N 26 120.858 120.858 115.293 5.565 18522 6968 1 13 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.579 -0.097 18522 6969 1 13 . 1 1 14 14 GLN C C 26 174.515 174.515 174.949 -0.434 18522 6970 1 13 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.317 0.259 18522 6971 1 13 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.738 -2.223 18522 6972 1 13 . 1 1 14 14 GLN H H 26 8.530 8.530 8.249 0.281 18522 6973 1 13 . 1 1 15 15 LYS N N 27 119.583 119.583 121.747 -2.164 18522 6974 1 13 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.298 -0.118 18522 6975 1 13 . 1 1 15 15 LYS C C 27 177.468 177.468 176.964 0.504 18522 6976 1 13 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.964 -1.008 18522 6977 1 13 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.294 1.806 18522 6978 1 13 . 1 1 15 15 LYS H H 27 8.099 8.099 8.269 -0.170 18522 6979 1 13 . 1 1 16 16 ASP N N 28 121.439 121.439 122.833 -1.394 18522 6980 1 13 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.677 -0.087 18522 6981 1 13 . 1 1 16 16 ASP C C 28 178.392 178.392 177.711 0.681 18522 6982 1 13 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.205 -0.779 18522 6983 1 13 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.785 -1.408 18522 6984 1 13 . 1 1 16 16 ASP H H 28 8.888 8.888 8.631 0.257 18522 6985 1 13 . 1 1 17 17 ALA N N 29 119.578 119.578 124.154 -4.576 18522 6986 1 13 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.077 0.111 18522 6987 1 13 . 1 1 17 17 ALA C C 29 178.763 178.763 178.291 0.472 18522 6988 1 13 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.568 -0.134 18522 6989 1 13 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.669 -0.376 18522 6990 1 13 . 1 1 17 17 ALA H H 29 8.392 8.392 8.720 -0.328 18522 6991 1 13 . 1 1 18 18 GLN N N 30 117.564 117.564 116.777 0.787 18522 6992 1 13 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.273 0.126 18522 6993 1 13 . 1 1 18 18 GLN C C 30 175.168 175.168 175.477 -0.309 18522 6994 1 13 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.408 -0.070 18522 6995 1 13 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.319 -0.730 18522 6996 1 13 . 1 1 18 18 GLN H H 30 8.353 8.353 7.910 0.443 18522 6997 1 13 . 1 1 19 19 ASN N N 31 115.365 115.365 116.574 -1.209 18522 6998 1 13 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.405 -0.090 18522 6999 1 13 . 1 1 19 19 ASN C C 31 174.043 174.043 173.137 0.906 18522 7000 1 13 . 1 1 19 19 ASN CA C 31 54.303 54.303 53.915 0.388 18522 7001 1 13 . 1 1 19 19 ASN CB C 31 37.610 37.610 38.128 -0.518 18522 7002 1 13 . 1 1 19 19 ASN H H 31 8.521 8.521 8.159 0.362 18522 7003 1 13 . 1 1 20 20 LEU N N 32 118.660 118.660 110.293 8.367 18522 7004 1 13 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.826 0.074 18522 7005 1 13 . 1 1 20 20 LEU C C 32 178.117 178.117 176.060 2.057 18522 7006 1 13 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.711 0.247 18522 7007 1 13 . 1 1 20 20 LEU CB C 32 44.774 44.774 44.285 0.488 18522 7008 1 13 . 1 1 20 20 LEU H H 32 8.155 8.155 7.347 0.808 18522 7009 1 13 . 1 1 21 21 ILE N N 33 116.785 116.785 116.548 0.237 18522 7010 1 13 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.518 0.156 18522 7011 1 13 . 1 1 21 21 ILE C C 33 176.185 176.185 176.698 -0.513 18522 7012 1 13 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.318 1.284 18522 7013 1 13 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.630 -0.614 18522 7014 1 13 . 1 1 21 21 ILE H H 33 11.488 11.488 8.426 3.062 18522 7015 1 13 . 1 1 22 22 GLY N N 34 111.234 111.234 108.660 2.574 18522 7016 1 13 . 1 1 22 22 GLY C C 34 173.993 173.993 174.256 -0.263 18522 7017 1 13 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.105 0.875 18522 7018 1 13 . 1 1 22 22 GLY H H 34 9.854 9.854 8.543 1.311 18522 7019 1 13 . 1 1 23 23 ILE N N 35 111.117 111.117 113.422 -2.305 18522 7020 1 13 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.199 0.336 18522 7021 1 13 . 1 1 23 23 ILE C C 35 175.033 175.033 173.963 1.070 18522 7022 1 13 . 1 1 23 23 ILE CA C 35 58.415 58.415 58.228 0.187 18522 7023 1 13 . 1 1 23 23 ILE CB C 35 41.577 41.577 42.370 -0.793 18522 7024 1 13 . 1 1 23 23 ILE H H 35 7.835 7.835 7.158 0.677 18522 7025 1 13 . 1 1 24 24 SER N N 36 114.908 114.908 115.771 -0.863 18522 7026 1 13 . 1 1 24 24 SER HA H 36 4.232 4.232 5.207 -0.975 18522 7027 1 13 . 1 1 24 24 SER C C 36 174.735 174.735 173.259 1.476 18522 7028 1 13 . 1 1 24 24 SER CA C 36 56.121 56.121 57.662 -1.541 18522 7029 1 13 . 1 1 24 24 SER CB C 36 66.097 66.097 65.042 1.055 18522 7030 1 13 . 1 1 24 24 SER H H 36 8.623 8.623 8.523 0.100 18522 7031 1 13 . 1 1 25 25 ILE N N 37 117.739 117.739 122.548 -4.809 18522 7032 1 13 . 1 1 25 25 ILE C C 37 174.340 174.340 174.991 -0.651 18522 7033 1 13 . 1 1 25 25 ILE CA C 37 59.123 59.123 58.894 0.229 18522 7034 1 13 . 1 1 25 25 ILE CB C 37 41.637 41.637 42.257 -0.620 18522 7035 1 13 . 1 1 25 25 ILE H H 37 9.130 9.130 7.818 1.312 18522 7036 1 13 . 1 1 26 26 GLY N N 38 108.069 108.069 107.041 1.028 18522 7037 1 13 . 1 1 26 26 GLY CA C 38 44.112 44.112 44.720 -0.608 18522 7038 1 13 . 1 1 26 26 GLY H H 38 8.841 8.841 7.544 1.297 18522 7039 1 13 . 1 1 27 27 GLY N N 39 109.016 109.016 107.059 1.957 18522 7040 1 13 . 1 1 27 27 GLY C C 39 173.956 173.956 174.976 -1.020 18522 7041 1 13 . 1 1 27 27 GLY H H 39 8.187 8.187 8.509 -0.322 18522 7042 1 13 . 1 1 28 28 GLY N N 40 111.783 111.783 111.309 0.474 18522 7043 1 13 . 1 1 28 28 GLY C C 40 174.255 174.255 173.725 0.530 18522 7044 1 13 . 1 1 28 28 GLY CA C 40 47.098 47.098 44.515 2.583 18522 7045 1 13 . 1 1 28 28 GLY H H 40 8.275 8.275 7.818 0.457 18522 7046 1 13 . 1 1 29 29 ALA N N 41 123.128 123.128 122.750 0.378 18522 7047 1 13 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.532 0.027 18522 7048 1 13 . 1 1 29 29 ALA CA C 41 51.073 51.073 50.747 0.326 18522 7049 1 13 . 1 1 29 29 ALA CB C 41 21.926 21.926 20.302 1.624 18522 7050 1 13 . 1 1 29 29 ALA H H 41 8.012 8.012 7.670 0.342 18522 7051 1 13 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.193 0.356 18522 7052 1 13 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.197 -2.050 18522 7053 1 13 . 1 1 31 31 TYR CB C 43 37.495 37.495 38.157 -0.662 18522 7054 1 13 . 1 1 32 32 CYS N N 44 119.332 119.332 114.620 4.712 18522 7055 1 13 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.273 0.586 18522 7056 1 13 . 1 1 32 32 CYS CA C 44 57.406 57.406 57.477 -0.071 18522 7057 1 13 . 1 1 32 32 CYS CB C 44 27.673 27.673 24.655 3.018 18522 7058 1 13 . 1 1 32 32 CYS H H 44 7.504 7.504 7.813 -0.309 18522 7059 1 13 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.472 -0.059 18522 7060 1 13 . 1 1 33 33 PRO CA C 45 64.885 64.885 64.380 0.505 18522 7061 1 13 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.866 -0.548 18522 7062 1 13 . 1 1 34 34 CYS N N 46 117.327 117.327 112.546 4.781 18522 7063 1 13 . 1 1 34 34 CYS C C 46 172.064 172.064 172.778 -0.714 18522 7064 1 13 . 1 1 34 34 CYS CA C 46 60.066 60.066 57.739 2.327 18522 7065 1 13 . 1 1 34 34 CYS CB C 46 28.715 28.715 29.982 -1.267 18522 7066 1 13 . 1 1 34 34 CYS H H 46 7.973 7.973 7.654 0.319 18522 7067 1 13 . 1 1 35 35 LEU N N 47 124.270 124.270 115.541 8.729 18522 7068 1 13 . 1 1 35 35 LEU HA H 47 4.928 4.928 5.042 -0.114 18522 7069 1 13 . 1 1 35 35 LEU C C 47 175.076 175.076 174.579 0.497 18522 7070 1 13 . 1 1 35 35 LEU CA C 47 53.278 53.278 55.698 -2.420 18522 7071 1 13 . 1 1 35 35 LEU CB C 47 44.321 44.321 42.586 1.735 18522 7072 1 13 . 1 1 35 35 LEU H H 47 8.629 8.629 8.412 0.217 18522 7073 1 13 . 1 1 36 36 TYR N N 48 119.326 119.326 119.066 0.260 18522 7074 1 13 . 1 1 36 36 TYR HA H 48 5.255 5.255 5.139 0.116 18522 7075 1 13 . 1 1 36 36 TYR C C 48 175.766 175.766 175.560 0.206 18522 7076 1 13 . 1 1 36 36 TYR CA C 48 56.696 56.696 55.983 0.712 18522 7077 1 13 . 1 1 36 36 TYR CB C 48 42.590 42.590 37.611 4.979 18522 7078 1 13 . 1 1 36 36 TYR H H 48 8.761 8.761 7.047 1.714 18522 7079 1 13 . 1 1 37 37 ILE N N 49 120.259 120.259 125.974 -5.715 18522 7080 1 13 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.186 0.029 18522 7081 1 13 . 1 1 37 37 ILE C C 49 177.429 177.429 175.318 2.111 18522 7082 1 13 . 1 1 37 37 ILE CA C 49 62.456 62.456 60.929 1.526 18522 7083 1 13 . 1 1 37 37 ILE CB C 49 37.352 37.352 38.156 -0.804 18522 7084 1 13 . 1 1 37 37 ILE H H 49 8.959 8.959 8.535 0.424 18522 7085 1 13 . 1 1 38 38 VAL HA H 50 3.937 3.937 4.236 -0.299 18522 7086 1 13 . 1 1 38 38 VAL C C 50 174.408 174.408 175.767 -1.359 18522 7087 1 13 . 1 1 38 38 VAL CA C 50 62.259 62.259 63.919 -1.660 18522 7088 1 13 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.046 -0.462 18522 7089 1 13 . 1 1 39 39 GLN N N 51 116.821 116.821 117.137 -0.316 18522 7090 1 13 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.440 -0.337 18522 7091 1 13 . 1 1 39 39 GLN C C 51 172.856 172.856 172.932 -0.076 18522 7092 1 13 . 1 1 39 39 GLN CA C 51 55.127 55.127 54.999 0.128 18522 7093 1 13 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.433 -0.057 18522 7094 1 13 . 1 1 39 39 GLN H H 51 6.967 6.967 7.740 -0.773 18522 7095 1 13 . 1 1 40 40 VAL N N 52 123.482 123.482 121.725 1.757 18522 7096 1 13 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.569 -0.292 18522 7097 1 13 . 1 1 40 40 VAL C C 52 176.198 176.198 174.339 1.859 18522 7098 1 13 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.553 2.021 18522 7099 1 13 . 1 1 40 40 VAL CB C 52 32.875 32.875 34.608 -1.733 18522 7100 1 13 . 1 1 40 40 VAL H H 52 8.447 8.447 8.107 0.340 18522 7101 1 13 . 1 1 41 41 PHE N N 53 128.296 128.296 123.937 4.359 18522 7102 1 13 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.697 -0.297 18522 7103 1 13 . 1 1 41 41 PHE C C 53 175.299 175.299 175.180 0.119 18522 7104 1 13 . 1 1 41 41 PHE CA C 53 58.494 58.494 58.287 0.207 18522 7105 1 13 . 1 1 41 41 PHE CB C 53 39.561 39.561 39.607 -0.046 18522 7106 1 13 . 1 1 41 41 PHE H H 53 8.707 8.707 8.216 0.491 18522 7107 1 13 . 1 1 42 42 ASP N N 54 122.696 122.696 116.562 6.134 18522 7108 1 13 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.695 -0.423 18522 7109 1 13 . 1 1 42 42 ASP C C 54 176.837 176.837 176.144 0.693 18522 7110 1 13 . 1 1 42 42 ASP CA C 54 55.291 55.291 54.982 0.309 18522 7111 1 13 . 1 1 42 42 ASP CB C 54 41.093 41.093 42.370 -1.277 18522 7112 1 13 . 1 1 42 42 ASP H H 54 8.901 8.901 8.498 0.403 18522 7113 1 13 . 1 1 43 43 ASN N N 55 113.923 113.923 116.658 -2.735 18522 7114 1 13 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.834 -0.576 18522 7115 1 13 . 1 1 43 43 ASN C C 55 173.714 173.714 174.706 -0.992 18522 7116 1 13 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.412 1.546 18522 7117 1 13 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.545 -2.395 18522 7118 1 13 . 1 1 43 43 ASN H H 55 9.319 9.319 8.227 1.092 18522 7119 1 13 . 1 1 44 44 THR N N 56 108.020 108.020 110.328 -2.308 18522 7120 1 13 . 1 1 44 44 THR HA H 56 5.377 5.377 4.809 0.568 18522 7121 1 13 . 1 1 44 44 THR CA C 56 59.712 59.712 58.736 0.976 18522 7122 1 13 . 1 1 44 44 THR CB C 56 69.529 69.529 70.551 -1.022 18522 7123 1 13 . 1 1 44 44 THR H H 56 7.149 7.149 7.545 -0.396 18522 7124 1 13 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.106 0.198 18522 7125 1 13 . 1 1 45 45 PRO C C 57 180.141 180.141 177.892 2.249 18522 7126 1 13 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.612 0.478 18522 7127 1 13 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.497 1.697 18522 7128 1 13 . 1 1 46 46 ALA N N 58 116.854 116.854 119.464 -2.610 18522 7129 1 13 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.020 0.015 18522 7130 1 13 . 1 1 46 46 ALA C C 58 180.647 180.647 179.475 1.172 18522 7131 1 13 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.185 0.010 18522 7132 1 13 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.114 0.765 18522 7133 1 13 . 1 1 46 46 ALA H H 58 8.938 8.938 7.871 1.067 18522 7134 1 13 . 1 1 47 47 ALA N N 59 123.250 123.250 120.895 2.355 18522 7135 1 13 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.074 -0.044 18522 7136 1 13 . 1 1 47 47 ALA C C 59 179.852 179.852 179.844 0.008 18522 7137 1 13 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.666 0.273 18522 7138 1 13 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.815 0.873 18522 7139 1 13 . 1 1 47 47 ALA H H 59 7.658 7.658 7.403 0.255 18522 7140 1 13 . 1 1 48 48 LEU N N 60 118.654 118.654 118.914 -0.260 18522 7141 1 13 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.207 -0.181 18522 7142 1 13 . 1 1 48 48 LEU C C 60 179.238 179.238 178.483 0.755 18522 7143 1 13 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.041 -0.780 18522 7144 1 13 . 1 1 48 48 LEU CB C 60 41.445 41.445 41.419 0.026 18522 7145 1 13 . 1 1 48 48 LEU H H 60 8.636 8.636 8.503 0.133 18522 7146 1 13 . 1 1 49 49 ASP N N 61 117.382 117.382 117.847 -0.465 18522 7147 1 13 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.606 -0.185 18522 7148 1 13 . 1 1 49 49 ASP C C 61 177.668 177.668 177.615 0.053 18522 7149 1 13 . 1 1 49 49 ASP CA C 61 57.087 57.087 53.969 3.118 18522 7150 1 13 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.270 3.208 18522 7151 1 13 . 1 1 49 49 ASP H H 61 7.665 7.665 7.861 -0.196 18522 7152 1 13 . 1 1 50 50 GLY N N 62 103.228 103.228 108.353 -5.125 18522 7153 1 13 . 1 1 50 50 GLY C C 62 174.776 174.776 174.872 -0.096 18522 7154 1 13 . 1 1 50 50 GLY CA C 62 46.533 46.533 46.048 0.485 18522 7155 1 13 . 1 1 50 50 GLY H H 62 7.216 7.216 8.020 -0.804 18522 7156 1 13 . 1 1 51 51 THR N N 63 117.230 117.230 111.577 5.653 18522 7157 1 13 . 1 1 51 51 THR HA H 63 3.907 3.907 3.793 0.114 18522 7158 1 13 . 1 1 51 51 THR C C 63 175.961 175.961 173.891 2.070 18522 7159 1 13 . 1 1 51 51 THR CA C 63 66.478 66.478 63.059 3.419 18522 7160 1 13 . 1 1 51 51 THR CB C 63 68.268 68.268 66.662 1.606 18522 7161 1 13 . 1 1 51 51 THR H H 63 8.319 8.319 7.788 0.531 18522 7162 1 13 . 1 1 52 52 VAL N N 64 113.826 113.826 113.867 -0.041 18522 7163 1 13 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.285 -0.335 18522 7164 1 13 . 1 1 52 52 VAL C C 64 173.883 173.883 174.711 -0.828 18522 7165 1 13 . 1 1 52 52 VAL CA C 64 60.708 60.708 59.830 0.878 18522 7166 1 13 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.965 2.114 18522 7167 1 13 . 1 1 52 52 VAL H H 64 8.147 8.147 7.246 0.901 18522 7168 1 13 . 1 1 53 53 ALA N N 65 123.521 123.521 123.096 0.425 18522 7169 1 13 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.480 -0.066 18522 7170 1 13 . 1 1 53 53 ALA C C 65 175.247 175.247 176.672 -1.425 18522 7171 1 13 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.289 0.151 18522 7172 1 13 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.533 2.733 18522 7173 1 13 . 1 1 53 53 ALA H H 65 8.633 8.633 7.223 1.410 18522 7174 1 13 . 1 1 54 54 ALA N N 66 120.818 120.818 123.052 -2.234 18522 7175 1 13 . 1 1 54 54 ALA HA H 66 3.720 3.720 4.072 -0.352 18522 7176 1 13 . 1 1 54 54 ALA C C 66 178.411 178.411 178.199 0.212 18522 7177 1 13 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.348 -0.332 18522 7178 1 13 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.398 0.442 18522 7179 1 13 . 1 1 54 54 ALA H H 66 8.451 8.451 8.456 -0.005 18522 7180 1 13 . 1 1 55 55 GLY N N 67 112.260 112.260 112.621 -0.361 18522 7181 1 13 . 1 1 55 55 GLY C C 67 173.296 173.296 173.601 -0.305 18522 7182 1 13 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.938 0.087 18522 7183 1 13 . 1 1 55 55 GLY H H 67 9.600 9.600 8.305 1.295 18522 7184 1 13 . 1 1 56 56 ASP N N 68 121.293 121.293 122.492 -1.199 18522 7185 1 13 . 1 1 56 56 ASP HA H 68 4.861 4.861 5.012 -0.151 18522 7186 1 13 . 1 1 56 56 ASP C C 68 174.937 174.937 174.606 0.331 18522 7187 1 13 . 1 1 56 56 ASP CA C 68 55.641 55.641 54.370 1.271 18522 7188 1 13 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.450 -1.754 18522 7189 1 13 . 1 1 56 56 ASP H H 68 8.043 8.043 7.859 0.184 18522 7190 1 13 . 1 1 57 57 GLU N N 69 122.814 122.814 120.744 2.070 18522 7191 1 13 . 1 1 57 57 GLU C C 69 177.202 177.202 176.361 0.841 18522 7192 1 13 . 1 1 57 57 GLU CA C 69 54.472 54.472 54.548 -0.076 18522 7193 1 13 . 1 1 57 57 GLU CB C 69 32.800 32.800 30.523 2.277 18522 7194 1 13 . 1 1 57 57 GLU H H 69 8.455 8.455 9.127 -0.672 18522 7195 1 13 . 1 1 58 58 ILE N N 70 125.862 125.862 128.098 -2.236 18522 7196 1 13 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.395 0.131 18522 7197 1 13 . 1 1 58 58 ILE C C 70 175.035 175.035 176.537 -1.502 18522 7198 1 13 . 1 1 58 58 ILE CA C 70 60.918 60.918 61.913 -0.995 18522 7199 1 13 . 1 1 58 58 ILE CB C 70 39.236 39.236 36.995 2.241 18522 7200 1 13 . 1 1 58 58 ILE H H 70 8.619 8.619 9.210 -0.591 18522 7201 1 13 . 1 1 59 59 THR N N 71 115.507 115.507 123.307 -7.800 18522 7202 1 13 . 1 1 59 59 THR HA H 71 4.513 4.513 4.554 -0.041 18522 7203 1 13 . 1 1 59 59 THR C C 71 176.425 176.425 174.210 2.215 18522 7204 1 13 . 1 1 59 59 THR CA C 71 61.158 61.158 61.777 -0.619 18522 7205 1 13 . 1 1 59 59 THR CB C 71 69.604 69.604 69.678 -0.074 18522 7206 1 13 . 1 1 59 59 THR H H 71 9.242 9.242 9.036 0.206 18522 7207 1 13 . 1 1 60 60 GLY N N 72 111.789 111.789 108.545 3.244 18522 7208 1 13 . 1 1 60 60 GLY C C 72 170.981 170.981 171.822 -0.841 18522 7209 1 13 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.528 1.026 18522 7210 1 13 . 1 1 60 60 GLY H H 72 7.883 7.883 7.683 0.200 18522 7211 1 13 . 1 1 61 61 VAL N N 73 119.277 119.277 118.627 0.650 18522 7212 1 13 . 1 1 61 61 VAL C C 73 175.951 175.951 175.941 0.010 18522 7213 1 13 . 1 1 61 61 VAL CA C 73 60.982 60.982 59.232 1.750 18522 7214 1 13 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.044 2.153 18522 7215 1 13 . 1 1 61 61 VAL H H 73 8.424 8.424 8.551 -0.127 18522 7216 1 13 . 1 1 62 62 ASN N N 74 127.731 127.731 124.198 3.533 18522 7217 1 13 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.283 0.237 18522 7218 1 13 . 1 1 62 62 ASN C C 74 174.878 174.878 175.195 -0.317 18522 7219 1 13 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.381 0.037 18522 7220 1 13 . 1 1 62 62 ASN CB C 74 36.655 36.655 37.779 -1.125 18522 7221 1 13 . 1 1 62 62 ASN H H 74 10.384 10.384 9.118 1.266 18522 7222 1 13 . 1 1 63 63 GLY N N 75 104.633 104.633 103.318 1.315 18522 7223 1 13 . 1 1 63 63 GLY C C 75 173.610 173.610 173.343 0.267 18522 7224 1 13 . 1 1 63 63 GLY CA C 75 45.261 45.261 45.016 0.245 18522 7225 1 13 . 1 1 63 63 GLY H H 75 8.926 8.926 7.930 0.996 18522 7226 1 13 . 1 1 64 64 ARG N N 76 120.451 120.451 120.072 0.379 18522 7227 1 13 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.676 -0.175 18522 7228 1 13 . 1 1 64 64 ARG C C 76 175.085 175.085 174.992 0.093 18522 7229 1 13 . 1 1 64 64 ARG CA C 76 54.252 54.252 53.983 0.269 18522 7230 1 13 . 1 1 64 64 ARG CB C 76 31.482 31.482 32.614 -1.132 18522 7231 1 13 . 1 1 64 64 ARG H H 76 7.753 7.753 8.098 -0.345 18522 7232 1 13 . 1 1 65 65 SER N N 77 116.586 116.586 116.521 0.065 18522 7233 1 13 . 1 1 65 65 SER HA H 77 4.483 4.483 4.617 -0.134 18522 7234 1 13 . 1 1 65 65 SER C C 77 176.953 176.953 176.488 0.465 18522 7235 1 13 . 1 1 65 65 SER CA C 77 58.292 58.292 58.695 -0.403 18522 7236 1 13 . 1 1 65 65 SER CB C 77 63.643 63.643 63.524 0.119 18522 7237 1 13 . 1 1 65 65 SER H H 77 8.555 8.555 8.674 -0.119 18522 7238 1 13 . 1 1 66 66 ILE N N 78 116.618 116.618 120.850 -4.232 18522 7239 1 13 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.224 0.196 18522 7240 1 13 . 1 1 66 66 ILE C C 78 175.072 175.072 176.957 -1.885 18522 7241 1 13 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.731 -2.609 18522 7242 1 13 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.303 -0.545 18522 7243 1 13 . 1 1 66 66 ILE H H 78 7.599 7.599 8.224 -0.625 18522 7244 1 13 . 1 1 67 67 LYS N N 79 123.287 123.287 121.778 1.509 18522 7245 1 13 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.179 -0.130 18522 7246 1 13 . 1 1 67 67 LYS C C 79 178.333 178.333 177.809 0.524 18522 7247 1 13 . 1 1 67 67 LYS CA C 79 58.321 58.321 57.907 0.414 18522 7248 1 13 . 1 1 67 67 LYS CB C 79 31.635 31.635 31.828 -0.193 18522 7249 1 13 . 1 1 67 67 LYS H H 79 7.898 7.898 8.338 -0.440 18522 7250 1 13 . 1 1 68 68 GLY N N 80 114.933 114.933 107.871 7.062 18522 7251 1 13 . 1 1 68 68 GLY C C 80 174.385 174.385 174.620 -0.235 18522 7252 1 13 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.846 -0.328 18522 7253 1 13 . 1 1 68 68 GLY H H 80 8.999 8.999 8.197 0.802 18522 7254 1 13 . 1 1 69 69 LYS N N 81 119.403 119.403 118.815 0.588 18522 7255 1 13 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.648 -0.605 18522 7256 1 13 . 1 1 69 69 LYS C C 81 177.064 177.064 174.720 2.344 18522 7257 1 13 . 1 1 69 69 LYS CA C 81 54.722 54.722 54.904 -0.182 18522 7258 1 13 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.197 0.363 18522 7259 1 13 . 1 1 69 69 LYS H H 81 7.845 7.845 7.914 -0.069 18522 7260 1 13 . 1 1 70 70 THR N N 82 112.066 112.066 114.608 -2.542 18522 7261 1 13 . 1 1 70 70 THR HA H 82 4.666 4.666 4.732 -0.066 18522 7262 1 13 . 1 1 70 70 THR C C 82 175.955 175.955 175.461 0.494 18522 7263 1 13 . 1 1 70 70 THR CA C 82 60.438 60.438 60.681 -0.242 18522 7264 1 13 . 1 1 70 70 THR CB C 82 71.629 71.629 72.292 -0.663 18522 7265 1 13 . 1 1 70 70 THR H H 82 9.153 9.153 8.132 1.021 18522 7266 1 13 . 1 1 71 71 LYS N N 83 118.730 118.730 123.729 -4.999 18522 7267 1 13 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.941 -0.071 18522 7268 1 13 . 1 1 71 71 LYS C C 83 177.464 177.464 178.332 -0.868 18522 7269 1 13 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.886 0.471 18522 7270 1 13 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.615 -0.265 18522 7271 1 13 . 1 1 71 71 LYS H H 83 8.969 8.969 8.707 0.262 18522 7272 1 13 . 1 1 72 72 VAL N N 84 117.444 117.444 118.778 -1.334 18522 7273 1 13 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.722 -0.089 18522 7274 1 13 . 1 1 72 72 VAL C C 84 178.315 178.315 177.608 0.707 18522 7275 1 13 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.473 0.606 18522 7276 1 13 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.614 0.477 18522 7277 1 13 . 1 1 72 72 VAL H H 84 7.631 7.631 8.198 -0.567 18522 7278 1 13 . 1 1 73 73 GLU N N 85 120.890 120.890 119.396 1.494 18522 7279 1 13 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.122 -0.158 18522 7280 1 13 . 1 1 73 73 GLU C C 85 179.971 179.971 178.888 1.083 18522 7281 1 13 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.358 -0.042 18522 7282 1 13 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.718 0.637 18522 7283 1 13 . 1 1 73 73 GLU H H 85 7.617 7.617 7.645 -0.028 18522 7284 1 13 . 1 1 74 74 VAL N N 86 121.246 121.246 118.568 2.678 18522 7285 1 13 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.712 -0.082 18522 7286 1 13 . 1 1 74 74 VAL C C 86 177.217 177.217 177.681 -0.464 18522 7287 1 13 . 1 1 74 74 VAL CA C 86 66.678 66.678 66.028 0.650 18522 7288 1 13 . 1 1 74 74 VAL CB C 86 31.307 31.307 30.755 0.552 18522 7289 1 13 . 1 1 74 74 VAL H H 86 8.368 8.368 8.416 -0.048 18522 7290 1 13 . 1 1 75 75 ALA N N 87 122.148 122.148 122.469 -0.321 18522 7291 1 13 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.908 0.039 18522 7292 1 13 . 1 1 75 75 ALA C C 87 179.545 179.545 179.046 0.499 18522 7293 1 13 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.629 0.223 18522 7294 1 13 . 1 1 75 75 ALA CB C 87 18.491 18.491 18.252 0.239 18522 7295 1 13 . 1 1 75 75 ALA H H 87 8.577 8.577 7.917 0.660 18522 7296 1 13 . 1 1 76 76 LYS N N 88 117.733 117.733 119.251 -1.518 18522 7297 1 13 . 1 1 76 76 LYS HA H 88 4.051 4.051 4.157 -0.106 18522 7298 1 13 . 1 1 76 76 LYS CA C 88 59.393 59.393 58.926 0.467 18522 7299 1 13 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.395 -0.337 18522 7300 1 13 . 1 1 76 76 LYS H H 88 7.854 7.854 7.357 0.497 18522 7301 1 13 . 1 1 77 77 MET N N 89 117.676 117.676 115.960 1.716 18522 7302 1 13 . 1 1 77 77 MET HA H 89 4.048 4.048 4.190 -0.142 18522 7303 1 13 . 1 1 77 77 MET C C 89 178.791 178.791 178.658 0.133 18522 7304 1 13 . 1 1 77 77 MET CA C 89 59.128 59.128 57.970 1.158 18522 7305 1 13 . 1 1 77 77 MET CB C 89 33.801 33.801 32.059 1.742 18522 7306 1 13 . 1 1 77 77 MET H H 89 7.759 7.759 8.286 -0.527 18522 7307 1 13 . 1 1 78 78 ILE N N 90 117.305 117.305 115.950 1.355 18522 7308 1 13 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.937 -0.347 18522 7309 1 13 . 1 1 78 78 ILE C C 90 178.658 178.658 177.687 0.971 18522 7310 1 13 . 1 1 78 78 ILE CA C 90 65.482 65.482 63.065 2.417 18522 7311 1 13 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.576 1.269 18522 7312 1 13 . 1 1 78 78 ILE H H 90 7.972 7.972 7.223 0.749 18522 7313 1 13 . 1 1 79 79 GLN N N 91 120.935 120.935 118.566 2.369 18522 7314 1 13 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.443 -0.445 18522 7315 1 13 . 1 1 79 79 GLN C C 91 178.274 178.274 177.955 0.319 18522 7316 1 13 . 1 1 79 79 GLN CA C 91 59.151 59.151 57.662 1.489 18522 7317 1 13 . 1 1 79 79 GLN CB C 91 28.934 28.934 29.037 -0.103 18522 7318 1 13 . 1 1 79 79 GLN H H 91 8.826 8.826 8.040 0.786 18522 7319 1 13 . 1 1 80 80 GLU N N 92 115.213 115.213 120.910 -5.697 18522 7320 1 13 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.233 -0.172 18522 7321 1 13 . 1 1 80 80 GLU C C 92 176.824 176.824 176.426 0.398 18522 7322 1 13 . 1 1 80 80 GLU CA C 92 58.006 58.006 57.311 0.695 18522 7323 1 13 . 1 1 80 80 GLU CB C 92 29.890 29.890 30.283 -0.393 18522 7324 1 13 . 1 1 80 80 GLU H H 92 8.020 8.020 7.826 0.194 18522 7325 1 13 . 1 1 81 81 VAL N N 93 119.047 119.047 120.396 -1.349 18522 7326 1 13 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.877 0.053 18522 7327 1 13 . 1 1 81 81 VAL C C 93 176.016 176.016 175.714 0.302 18522 7328 1 13 . 1 1 81 81 VAL CA C 93 63.153 63.153 62.972 0.181 18522 7329 1 13 . 1 1 81 81 VAL CB C 93 32.154 32.154 31.760 0.394 18522 7330 1 13 . 1 1 81 81 VAL H H 93 7.073 7.073 7.627 -0.554 18522 7331 1 13 . 1 1 82 82 LYS N N 94 128.366 128.366 128.082 0.284 18522 7332 1 13 . 1 1 82 82 LYS C C 94 177.460 177.460 177.117 0.343 18522 7333 1 13 . 1 1 82 82 LYS CA C 94 55.753 55.753 56.104 -0.351 18522 7334 1 13 . 1 1 82 82 LYS CB C 94 32.332 32.332 30.482 1.850 18522 7335 1 13 . 1 1 82 82 LYS H H 94 8.762 8.762 8.658 0.104 18522 7336 1 13 . 1 1 83 83 GLY N N 95 112.528 112.528 111.065 1.463 18522 7337 1 13 . 1 1 83 83 GLY C C 95 173.468 173.468 173.405 0.063 18522 7338 1 13 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.367 0.876 18522 7339 1 13 . 1 1 83 83 GLY H H 95 8.673 8.673 8.185 0.488 18522 7340 1 13 . 1 1 84 84 GLU N N 96 121.485 121.485 119.274 2.211 18522 7341 1 13 . 1 1 84 84 GLU HA H 96 4.749 4.749 4.642 0.107 18522 7342 1 13 . 1 1 84 84 GLU C C 96 174.583 174.583 174.413 0.170 18522 7343 1 13 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.745 1.076 18522 7344 1 13 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.104 -1.694 18522 7345 1 13 . 1 1 84 84 GLU H H 96 8.297 8.297 7.676 0.621 18522 7346 1 13 . 1 1 85 85 VAL N N 97 120.501 120.501 112.946 7.555 18522 7347 1 13 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.616 0.049 18522 7348 1 13 . 1 1 85 85 VAL C C 97 173.047 173.047 173.955 -0.908 18522 7349 1 13 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.178 -0.064 18522 7350 1 13 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.532 -0.348 18522 7351 1 13 . 1 1 85 85 VAL H H 97 9.096 9.096 8.027 1.069 18522 7352 1 13 . 1 1 86 86 THR N N 98 125.019 125.019 114.493 10.526 18522 7353 1 13 . 1 1 86 86 THR HA H 98 4.076 4.076 4.948 -0.872 18522 7354 1 13 . 1 1 86 86 THR C C 98 173.807 173.807 173.966 -0.159 18522 7355 1 13 . 1 1 86 86 THR CA C 98 61.735 61.735 60.492 1.243 18522 7356 1 13 . 1 1 86 86 THR CB C 98 69.531 69.531 70.837 -1.306 18522 7357 1 13 . 1 1 86 86 THR H H 98 9.352 9.352 8.118 1.234 18522 7358 1 13 . 1 1 87 87 ILE N N 99 128.383 128.383 122.607 5.776 18522 7359 1 13 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.824 -0.163 18522 7360 1 13 . 1 1 87 87 ILE C C 99 174.614 174.614 174.370 0.244 18522 7361 1 13 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.126 -0.868 18522 7362 1 13 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.340 0.188 18522 7363 1 13 . 1 1 87 87 ILE H H 99 9.329 9.329 8.392 0.937 18522 7364 1 13 . 1 1 88 88 HIS N N 100 128.279 128.279 127.479 0.800 18522 7365 1 13 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.139 -0.191 18522 7366 1 13 . 1 1 88 88 HIS C C 100 174.787 174.787 174.845 -0.058 18522 7367 1 13 . 1 1 88 88 HIS CA C 100 54.620 54.620 54.551 0.069 18522 7368 1 13 . 1 1 88 88 HIS H H 100 8.647 8.647 8.588 0.059 18522 7369 1 13 . 1 1 89 89 TYR N N 101 121.320 121.320 121.815 -0.495 18522 7370 1 13 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.515 0.432 18522 7371 1 13 . 1 1 89 89 TYR C C 101 173.769 173.769 173.009 0.760 18522 7372 1 13 . 1 1 89 89 TYR CA C 101 55.669 55.669 56.030 -0.361 18522 7373 1 13 . 1 1 89 89 TYR CB C 101 42.195 42.195 40.896 1.299 18522 7374 1 13 . 1 1 89 89 TYR H H 101 8.414 8.414 9.073 -0.659 18522 7375 1 13 . 1 1 90 90 ASN N N 102 116.679 116.679 116.930 -0.251 18522 7376 1 13 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.395 -0.060 18522 7377 1 13 . 1 1 90 90 ASN C C 102 175.406 175.406 174.027 1.379 18522 7378 1 13 . 1 1 90 90 ASN CA C 102 51.961 51.961 51.904 0.057 18522 7379 1 13 . 1 1 90 90 ASN CB C 102 41.800 41.800 43.705 -1.905 18522 7380 1 13 . 1 1 90 90 ASN H H 102 9.282 9.282 9.087 0.195 18522 7381 1 13 . 1 1 91 91 LYS N N 103 124.129 124.129 120.490 3.639 18522 7382 1 13 . 1 1 91 91 LYS C C 103 176.678 176.678 175.983 0.695 18522 7383 1 13 . 1 1 91 91 LYS CA C 103 55.006 55.006 55.239 -0.233 18522 7384 1 13 . 1 1 91 91 LYS H H 103 8.949 8.949 8.456 0.493 18522 7385 1 13 . 1 1 92 92 LEU N N 104 127.043 127.043 120.520 6.523 18522 7386 1 13 . 1 1 92 92 LEU HA H 104 4.425 4.425 3.934 0.491 18522 7387 1 13 . 1 1 92 92 LEU CA C 104 55.060 55.060 56.222 -1.162 18522 7388 1 13 . 1 1 92 92 LEU CB C 104 42.559 42.559 41.153 1.406 18522 7389 1 13 . 1 1 92 92 LEU H H 104 9.150 9.150 8.746 0.404 18522 7390 1 13 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.560 -0.245 18522 7391 1 13 . 1 1 93 93 GLN C C 105 175.070 175.070 174.135 0.935 18522 7392 1 13 . 1 1 93 93 GLN CA C 105 55.490 55.490 55.694 -0.204 18522 7393 1 13 . 1 1 93 93 GLN CB C 105 28.909 28.909 30.090 -1.181 18522 7394 1 13 . 1 1 94 94 ALA N N 106 125.133 125.133 122.203 2.930 18522 7395 1 13 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.528 -0.162 18522 7396 1 13 . 1 1 94 94 ALA C C 106 176.392 176.392 175.366 1.026 18522 7397 1 13 . 1 1 94 94 ALA CA C 106 51.723 51.723 52.030 -0.307 18522 7398 1 13 . 1 1 94 94 ALA CB C 106 20.185 20.185 20.211 -0.026 18522 7399 1 13 . 1 1 94 94 ALA H H 106 8.226 8.226 7.667 0.559 18522 7400 1 13 . 1 1 95 95 ASP N N 107 122.013 122.013 119.960 2.053 18522 7401 1 13 . 1 1 95 95 ASP HA H 107 4.413 4.413 5.055 -0.642 18522 7402 1 13 . 1 1 95 95 ASP C C 107 175.019 175.019 175.284 -0.265 18522 7403 1 13 . 1 1 95 95 ASP CA C 107 55.642 55.642 52.258 3.385 18522 7404 1 13 . 1 1 95 95 ASP CB C 107 41.266 41.266 41.705 -0.439 18522 7405 1 13 . 1 1 95 95 ASP H H 107 8.429 8.429 8.340 0.089 18522 7406 1 13 . 1 1 96 96 PRO HA H 108 4.207 4.207 3.999 0.208 18522 7407 1 13 . 1 1 96 96 PRO C C 108 178.840 178.840 178.062 0.778 18522 7408 1 13 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.141 -0.745 18522 7409 1 13 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.855 0.326 18522 7410 1 13 . 1 1 97 97 LYS N N 109 117.942 117.942 115.261 2.681 18522 7411 1 13 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.010 0.133 18522 7412 1 13 . 1 1 97 97 LYS C C 109 178.099 178.099 178.907 -0.808 18522 7413 1 13 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.246 -1.079 18522 7414 1 13 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.338 0.311 18522 7415 1 13 . 1 1 97 97 LYS H H 109 8.335 8.335 8.399 -0.064 18522 7416 1 13 . 1 1 98 98 GLN N N 110 119.159 119.159 118.037 1.122 18522 7417 1 13 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.212 -0.082 18522 7418 1 13 . 1 1 98 98 GLN C C 110 178.298 178.298 178.144 0.154 18522 7419 1 13 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.401 0.259 18522 7420 1 13 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.251 0.469 18522 7421 1 13 . 1 1 98 98 GLN H H 110 7.985 7.985 7.986 -0.001 18522 7422 1 13 . 1 1 99 99 LEU N N 111 120.490 120.490 121.248 -0.758 18522 7423 1 13 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.400 -0.523 18522 7424 1 13 . 1 1 99 99 LEU C C 111 177.729 177.729 178.104 -0.375 18522 7425 1 13 . 1 1 99 99 LEU CA C 111 57.049 57.049 57.249 -0.200 18522 7426 1 13 . 1 1 99 99 LEU CB C 111 41.466 41.466 42.107 -0.641 18522 7427 1 13 . 1 1 99 99 LEU H H 111 7.994 7.994 8.189 -0.195 18522 7428 1 13 . 1 1 100 100 GLU N N 112 118.251 118.251 118.698 -0.447 18522 7429 1 13 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.007 -0.035 18522 7430 1 13 . 1 1 100 100 GLU C C 112 178.402 178.402 178.389 0.013 18522 7431 1 13 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.155 -0.099 18522 7432 1 13 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.132 0.600 18522 7433 1 13 . 1 1 100 100 GLU H H 112 7.760 7.760 8.177 -0.417 18522 7434 1 13 . 1 1 101 101 VAL N N 113 117.229 117.229 119.677 -2.448 18522 7435 1 13 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.874 -0.112 18522 7436 1 13 . 1 1 101 101 VAL C C 113 178.107 178.107 178.011 0.096 18522 7437 1 13 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.113 -0.322 18522 7438 1 13 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.919 0.230 18522 7439 1 13 . 1 1 101 101 VAL H H 113 7.437 7.437 7.611 -0.174 18522 7440 1 13 . 1 1 102 102 LEU N N 114 122.124 122.124 120.423 1.701 18522 7441 1 13 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.197 -0.164 18522 7442 1 13 . 1 1 102 102 LEU C C 114 178.506 178.506 177.539 0.967 18522 7443 1 13 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.923 0.320 18522 7444 1 13 . 1 1 102 102 LEU CB C 114 42.028 42.028 40.763 1.265 18522 7445 1 13 . 1 1 102 102 LEU H H 114 7.765 7.765 7.423 0.342 18522 7446 1 13 . 1 1 103 103 PHE N N 115 115.346 115.346 117.116 -1.770 18522 7447 1 13 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.074 0.150 18522 7448 1 13 . 1 1 103 103 PHE C C 115 175.621 175.621 176.314 -0.693 18522 7449 1 13 . 1 1 103 103 PHE CA C 115 57.537 57.537 58.200 -0.663 18522 7450 1 13 . 1 1 103 103 PHE CB C 115 38.057 38.057 39.269 -1.212 18522 7451 1 13 . 1 1 103 103 PHE H H 115 7.805 7.805 7.621 0.184 18522 7452 1 13 . 1 1 104 104 GLN N N 116 119.021 119.021 119.216 -0.195 18522 7453 1 13 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.179 0.228 18522 7454 1 13 . 1 1 104 104 GLN C C 116 176.402 176.402 175.386 1.016 18522 7455 1 13 . 1 1 104 104 GLN CA C 116 55.521 55.521 56.206 -0.685 18522 7456 1 13 . 1 1 104 104 GLN CB C 116 29.170 29.170 26.857 2.313 18522 7457 1 13 . 1 1 104 104 GLN H H 116 7.974 7.974 7.462 0.512 18522 7458 1 13 . 1 1 105 105 GLY N N 117 108.868 108.868 107.133 1.735 18522 7459 1 13 . 1 1 105 105 GLY CA C 117 45.124 45.124 45.830 -0.706 18522 7460 1 13 . 1 1 105 105 GLY H H 117 8.195 8.195 8.090 0.105 18522 7461 1 13 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.120 0.370 18522 7462 1 13 . 1 1 106 106 PRO C C 118 176.001 176.001 176.418 -0.417 18522 7463 1 13 . 1 1 106 106 PRO CA C 118 63.523 63.523 64.919 -1.396 18522 7464 1 13 . 1 1 106 106 PRO CB C 118 32.078 32.078 30.218 1.861 18522 7465 1 13 . 1 1 107 107 GLN N N 119 126.950 126.950 116.142 10.808 18522 7466 1 13 . 1 1 107 107 GLN C C 119 181.211 181.211 176.708 4.503 18522 7467 1 13 . 1 1 107 107 GLN CA C 119 57.416 57.416 58.199 -0.783 18522 7468 1 13 . 1 1 107 107 GLN H H 119 8.079 8.079 8.335 -0.256 18522 7469 1 13 . 1 1 111 111 ARG C C 123 174.608 174.608 176.439 -1.831 18522 7470 1 13 . 1 1 111 111 ARG CA C 123 55.099 55.099 58.157 -3.058 18522 7471 1 13 . 1 1 112 112 HIS N N 124 122.212 122.212 120.567 1.645 18522 7472 1 13 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.415 0.303 18522 7473 1 13 . 1 1 112 112 HIS C C 124 176.040 176.040 174.039 2.001 18522 7474 1 13 . 1 1 112 112 HIS CA C 124 54.213 54.213 54.355 -0.142 18522 7475 1 13 . 1 1 112 112 HIS CB C 124 31.164 31.164 28.215 2.949 18522 7476 1 13 . 1 1 112 112 HIS H H 124 7.640 7.640 8.322 -0.682 18522 7477 1 13 . 1 1 113 113 TRP C C 125 176.168 176.168 175.174 0.994 18522 7478 1 13 . 1 1 114 114 LEU N N 126 121.893 121.893 122.410 -0.517 18522 7479 1 13 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.641 0.228 18522 7480 1 13 . 1 1 114 114 LEU CA C 126 54.151 54.151 54.536 -0.385 18522 7481 1 13 . 1 1 114 114 LEU CB C 126 45.144 45.144 43.464 1.680 18522 7482 1 13 . 1 1 114 114 LEU H H 126 8.606 8.606 8.798 -0.192 18522 7483 1 13 . 1 1 115 115 LYS N N 127 125.850 125.850 124.341 1.509 18522 7484 1 13 . 1 1 115 115 LYS HA H 127 4.203 4.203 5.100 -0.897 18522 7485 1 13 . 1 1 115 115 LYS C C 127 175.564 175.564 174.448 1.116 18522 7486 1 13 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.162 2.090 18522 7487 1 13 . 1 1 115 115 LYS CB C 127 33.406 33.406 35.232 -1.826 18522 7488 1 13 . 1 1 115 115 LYS H H 127 8.647 8.647 8.320 0.327 18522 7489 1 14 . 1 1 3 3 PRO C C 15 177.225 177.225 176.288 0.937 18522 7490 1 14 . 1 1 3 3 PRO CA C 15 63.508 63.508 63.361 0.147 18522 7491 1 14 . 1 1 3 3 PRO CB C 15 32.090 32.090 32.262 -0.172 18522 7492 1 14 . 1 1 4 4 GLY N N 16 108.829 108.829 106.824 2.005 18522 7493 1 14 . 1 1 4 4 GLY C C 16 173.398 173.398 172.808 0.590 18522 7494 1 14 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.803 0.325 18522 7495 1 14 . 1 1 4 4 GLY H H 16 8.489 8.489 8.094 0.395 18522 7496 1 14 . 1 1 5 5 ILE N N 17 121.763 121.763 119.859 1.904 18522 7497 1 14 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.852 -0.298 18522 7498 1 14 . 1 1 5 5 ILE C C 17 174.332 174.332 174.472 -0.140 18522 7499 1 14 . 1 1 5 5 ILE CA C 17 58.245 58.245 57.802 0.443 18522 7500 1 14 . 1 1 5 5 ILE CB C 17 38.762 38.762 38.742 0.020 18522 7501 1 14 . 1 1 5 5 ILE H H 17 8.014 8.014 8.062 -0.047 18522 7502 1 14 . 1 1 6 6 PRO C C 18 176.437 176.437 175.576 0.861 18522 7503 1 14 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.524 -1.857 18522 7504 1 14 . 1 1 6 6 PRO CB C 18 32.469 32.469 31.971 0.498 18522 7505 1 14 . 1 1 7 7 VAL N N 19 123.849 123.849 115.599 8.250 18522 7506 1 14 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.611 -0.061 18522 7507 1 14 . 1 1 7 7 VAL C C 19 174.453 174.453 173.426 1.027 18522 7508 1 14 . 1 1 7 7 VAL CA C 19 59.846 59.846 58.391 1.455 18522 7509 1 14 . 1 1 7 7 VAL CB C 19 33.510 33.510 33.202 0.308 18522 7510 1 14 . 1 1 7 7 VAL H H 19 8.754 8.754 7.594 1.160 18522 7511 1 14 . 1 1 8 8 PRO HA H 20 5.338 5.338 5.420 -0.082 18522 7512 1 14 . 1 1 8 8 PRO C C 20 177.585 177.585 177.015 0.570 18522 7513 1 14 . 1 1 8 8 PRO CA C 20 62.406 62.406 62.016 0.390 18522 7514 1 14 . 1 1 8 8 PRO CB C 20 32.891 32.891 31.225 1.666 18522 7515 1 14 . 1 1 9 9 GLY N N 21 108.426 108.426 112.879 -4.453 18522 7516 1 14 . 1 1 9 9 GLY C C 21 171.443 171.443 171.628 -0.185 18522 7517 1 14 . 1 1 9 9 GLY CA C 21 44.581 44.581 43.257 1.324 18522 7518 1 14 . 1 1 9 9 GLY H H 21 8.258 8.258 8.823 -0.565 18522 7519 1 14 . 1 1 10 10 LYS N N 22 117.372 117.372 121.344 -3.972 18522 7520 1 14 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.254 -1.215 18522 7521 1 14 . 1 1 10 10 LYS C C 22 174.463 174.463 174.338 0.125 18522 7522 1 14 . 1 1 10 10 LYS CA C 22 55.263 55.263 54.038 1.225 18522 7523 1 14 . 1 1 10 10 LYS CB C 22 35.227 35.227 35.028 0.199 18522 7524 1 14 . 1 1 10 10 LYS H H 22 8.175 8.175 7.893 0.282 18522 7525 1 14 . 1 1 11 11 VAL N N 23 120.387 120.387 121.996 -1.609 18522 7526 1 14 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.429 0.279 18522 7527 1 14 . 1 1 11 11 VAL C C 23 171.873 171.873 173.859 -1.986 18522 7528 1 14 . 1 1 11 11 VAL CA C 23 59.866 59.866 60.826 -0.960 18522 7529 1 14 . 1 1 11 11 VAL CB C 23 35.269 35.269 36.209 -0.940 18522 7530 1 14 . 1 1 11 11 VAL H H 23 8.862 8.862 8.603 0.259 18522 7531 1 14 . 1 1 12 12 THR N N 24 125.797 125.797 122.285 3.512 18522 7532 1 14 . 1 1 12 12 THR HA H 24 5.121 5.121 4.954 0.167 18522 7533 1 14 . 1 1 12 12 THR C C 24 173.407 173.407 173.189 0.218 18522 7534 1 14 . 1 1 12 12 THR CA C 24 62.115 62.115 60.277 1.838 18522 7535 1 14 . 1 1 12 12 THR CB C 24 69.606 69.606 69.576 0.030 18522 7536 1 14 . 1 1 12 12 THR H H 24 8.859 8.859 8.320 0.539 18522 7537 1 14 . 1 1 13 13 LEU N N 25 127.960 127.960 126.843 1.117 18522 7538 1 14 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.868 -0.059 18522 7539 1 14 . 1 1 13 13 LEU C C 25 175.029 175.029 175.140 -0.111 18522 7540 1 14 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.554 0.069 18522 7541 1 14 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.332 0.910 18522 7542 1 14 . 1 1 13 13 LEU H H 25 9.258 9.258 8.358 0.900 18522 7543 1 14 . 1 1 14 14 GLN N N 26 120.858 120.858 117.319 3.539 18522 7544 1 14 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.580 -0.098 18522 7545 1 14 . 1 1 14 14 GLN C C 26 174.515 174.515 175.431 -0.916 18522 7546 1 14 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.082 0.494 18522 7547 1 14 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.824 -2.308 18522 7548 1 14 . 1 1 14 14 GLN H H 26 8.530 8.530 8.344 0.186 18522 7549 1 14 . 1 1 15 15 LYS N N 27 119.583 119.583 121.404 -1.821 18522 7550 1 14 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.295 -0.115 18522 7551 1 14 . 1 1 15 15 LYS C C 27 177.468 177.468 176.848 0.620 18522 7552 1 14 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.712 -0.756 18522 7553 1 14 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.296 1.803 18522 7554 1 14 . 1 1 15 15 LYS H H 27 8.099 8.099 8.269 -0.170 18522 7555 1 14 . 1 1 16 16 ASP N N 28 121.439 121.439 122.571 -1.132 18522 7556 1 14 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.564 0.026 18522 7557 1 14 . 1 1 16 16 ASP C C 28 178.392 178.392 177.931 0.461 18522 7558 1 14 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.999 -1.573 18522 7559 1 14 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.464 -1.087 18522 7560 1 14 . 1 1 16 16 ASP H H 28 8.888 8.888 8.656 0.232 18522 7561 1 14 . 1 1 17 17 ALA N N 29 119.578 119.578 123.637 -4.059 18522 7562 1 14 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.090 0.098 18522 7563 1 14 . 1 1 17 17 ALA C C 29 178.763 178.763 178.281 0.482 18522 7564 1 14 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.481 -0.048 18522 7565 1 14 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.750 -0.457 18522 7566 1 14 . 1 1 17 17 ALA H H 29 8.392 8.392 8.638 -0.246 18522 7567 1 14 . 1 1 18 18 GLN N N 30 117.564 117.564 117.815 -0.251 18522 7568 1 14 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.380 0.019 18522 7569 1 14 . 1 1 18 18 GLN C C 30 175.168 175.168 175.433 -0.265 18522 7570 1 14 . 1 1 18 18 GLN CA C 30 55.339 55.339 54.894 0.445 18522 7571 1 14 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.100 -0.511 18522 7572 1 14 . 1 1 18 18 GLN H H 30 8.353 8.353 7.897 0.456 18522 7573 1 14 . 1 1 19 19 ASN N N 31 115.365 115.365 115.103 0.262 18522 7574 1 14 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.361 -0.046 18522 7575 1 14 . 1 1 19 19 ASN C C 31 174.043 174.043 173.149 0.894 18522 7576 1 14 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.814 -0.511 18522 7577 1 14 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.500 0.110 18522 7578 1 14 . 1 1 19 19 ASN H H 31 8.521 8.521 8.268 0.253 18522 7579 1 14 . 1 1 20 20 LEU N N 32 118.660 118.660 111.488 7.172 18522 7580 1 14 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.937 -0.037 18522 7581 1 14 . 1 1 20 20 LEU C C 32 178.117 178.117 177.465 0.652 18522 7582 1 14 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.223 0.734 18522 7583 1 14 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.739 1.035 18522 7584 1 14 . 1 1 20 20 LEU H H 32 8.155 8.155 7.298 0.857 18522 7585 1 14 . 1 1 21 21 ILE N N 33 116.785 116.785 115.596 1.189 18522 7586 1 14 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.456 0.218 18522 7587 1 14 . 1 1 21 21 ILE C C 33 176.185 176.185 176.526 -0.341 18522 7588 1 14 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.209 1.393 18522 7589 1 14 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.666 -0.650 18522 7590 1 14 . 1 1 21 21 ILE H H 33 11.488 11.488 8.297 3.191 18522 7591 1 14 . 1 1 22 22 GLY N N 34 111.234 111.234 108.474 2.760 18522 7592 1 14 . 1 1 22 22 GLY C C 34 173.993 173.993 174.259 -0.266 18522 7593 1 14 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.113 0.867 18522 7594 1 14 . 1 1 22 22 GLY H H 34 9.854 9.854 8.530 1.324 18522 7595 1 14 . 1 1 23 23 ILE N N 35 111.117 111.117 113.323 -2.206 18522 7596 1 14 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.323 0.212 18522 7597 1 14 . 1 1 23 23 ILE C C 35 175.033 175.033 173.935 1.098 18522 7598 1 14 . 1 1 23 23 ILE CA C 35 58.415 58.415 58.036 0.379 18522 7599 1 14 . 1 1 23 23 ILE CB C 35 41.577 41.577 42.508 -0.931 18522 7600 1 14 . 1 1 23 23 ILE H H 35 7.835 7.835 7.086 0.749 18522 7601 1 14 . 1 1 24 24 SER N N 36 114.908 114.908 115.436 -0.528 18522 7602 1 14 . 1 1 24 24 SER HA H 36 4.232 4.232 5.284 -1.052 18522 7603 1 14 . 1 1 24 24 SER C C 36 174.735 174.735 172.756 1.979 18522 7604 1 14 . 1 1 24 24 SER CA C 36 56.121 56.121 57.337 -1.216 18522 7605 1 14 . 1 1 24 24 SER CB C 36 66.097 66.097 65.290 0.807 18522 7606 1 14 . 1 1 24 24 SER H H 36 8.623 8.623 8.333 0.290 18522 7607 1 14 . 1 1 25 25 ILE N N 37 117.739 117.739 125.427 -7.688 18522 7608 1 14 . 1 1 25 25 ILE C C 37 174.340 174.340 174.719 -0.379 18522 7609 1 14 . 1 1 25 25 ILE CA C 37 59.123 59.123 59.932 -0.809 18522 7610 1 14 . 1 1 25 25 ILE CB C 37 41.637 41.637 42.239 -0.602 18522 7611 1 14 . 1 1 25 25 ILE H H 37 9.130 9.130 8.406 0.724 18522 7612 1 14 . 1 1 26 26 GLY N N 38 108.069 108.069 113.989 -5.920 18522 7613 1 14 . 1 1 26 26 GLY CA C 38 44.112 44.112 44.865 -0.753 18522 7614 1 14 . 1 1 26 26 GLY H H 38 8.841 8.841 9.098 -0.257 18522 7615 1 14 . 1 1 27 27 GLY N N 39 109.016 109.016 109.059 -0.043 18522 7616 1 14 . 1 1 27 27 GLY C C 39 173.956 173.956 174.457 -0.501 18522 7617 1 14 . 1 1 27 27 GLY H H 39 8.187 8.187 8.272 -0.085 18522 7618 1 14 . 1 1 28 28 GLY N N 40 111.783 111.783 111.884 -0.101 18522 7619 1 14 . 1 1 28 28 GLY C C 40 174.255 174.255 172.538 1.717 18522 7620 1 14 . 1 1 28 28 GLY CA C 40 47.098 47.098 44.847 2.251 18522 7621 1 14 . 1 1 28 28 GLY H H 40 8.275 8.275 7.484 0.791 18522 7622 1 14 . 1 1 29 29 ALA N N 41 123.128 123.128 121.526 1.602 18522 7623 1 14 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.557 0.002 18522 7624 1 14 . 1 1 29 29 ALA CA C 41 51.073 51.073 52.444 -1.371 18522 7625 1 14 . 1 1 29 29 ALA CB C 41 21.926 21.926 20.558 1.368 18522 7626 1 14 . 1 1 29 29 ALA H H 41 8.012 8.012 8.445 -0.433 18522 7627 1 14 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.214 0.335 18522 7628 1 14 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.834 -2.687 18522 7629 1 14 . 1 1 31 31 TYR CB C 43 37.495 37.495 37.410 0.085 18522 7630 1 14 . 1 1 32 32 CYS N N 44 119.332 119.332 114.621 4.711 18522 7631 1 14 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.170 0.689 18522 7632 1 14 . 1 1 32 32 CYS CA C 44 57.406 57.406 58.804 -1.398 18522 7633 1 14 . 1 1 32 32 CYS CB C 44 27.673 27.673 26.033 1.640 18522 7634 1 14 . 1 1 32 32 CYS H H 44 7.504 7.504 8.367 -0.863 18522 7635 1 14 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.545 -0.132 18522 7636 1 14 . 1 1 33 33 PRO CA C 45 64.885 64.885 64.015 0.870 18522 7637 1 14 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.820 -0.502 18522 7638 1 14 . 1 1 34 34 CYS N N 46 117.327 117.327 113.080 4.247 18522 7639 1 14 . 1 1 34 34 CYS C C 46 172.064 172.064 173.575 -1.511 18522 7640 1 14 . 1 1 34 34 CYS CA C 46 60.066 60.066 58.150 1.916 18522 7641 1 14 . 1 1 34 34 CYS CB C 46 28.715 28.715 31.262 -2.547 18522 7642 1 14 . 1 1 34 34 CYS H H 46 7.973 7.973 8.090 -0.117 18522 7643 1 14 . 1 1 35 35 LEU N N 47 124.270 124.270 116.225 8.045 18522 7644 1 14 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.413 0.515 18522 7645 1 14 . 1 1 35 35 LEU C C 47 175.076 175.076 176.768 -1.692 18522 7646 1 14 . 1 1 35 35 LEU CA C 47 53.278 53.278 56.065 -2.787 18522 7647 1 14 . 1 1 35 35 LEU CB C 47 44.321 44.321 41.928 2.393 18522 7648 1 14 . 1 1 35 35 LEU H H 47 8.629 8.629 8.490 0.139 18522 7649 1 14 . 1 1 36 36 TYR N N 48 119.326 119.326 116.172 3.154 18522 7650 1 14 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.036 1.219 18522 7651 1 14 . 1 1 36 36 TYR C C 48 175.766 175.766 175.540 0.226 18522 7652 1 14 . 1 1 36 36 TYR CA C 48 56.696 56.696 61.720 -5.024 18522 7653 1 14 . 1 1 36 36 TYR CB C 48 42.590 42.590 37.038 5.552 18522 7654 1 14 . 1 1 36 36 TYR H H 48 8.761 8.761 7.296 1.465 18522 7655 1 14 . 1 1 37 37 ILE N N 49 120.259 120.259 122.031 -1.772 18522 7656 1 14 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.204 0.011 18522 7657 1 14 . 1 1 37 37 ILE C C 49 177.429 177.429 176.323 1.106 18522 7658 1 14 . 1 1 37 37 ILE CA C 49 62.456 62.456 61.755 0.701 18522 7659 1 14 . 1 1 37 37 ILE CB C 49 37.352 37.352 37.257 0.095 18522 7660 1 14 . 1 1 37 37 ILE H H 49 8.959 8.959 7.827 1.132 18522 7661 1 14 . 1 1 38 38 VAL HA H 50 3.937 3.937 3.922 0.015 18522 7662 1 14 . 1 1 38 38 VAL C C 50 174.408 174.408 175.173 -0.765 18522 7663 1 14 . 1 1 38 38 VAL CA C 50 62.259 62.259 63.306 -1.047 18522 7664 1 14 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.221 -0.637 18522 7665 1 14 . 1 1 39 39 GLN N N 51 116.821 116.821 118.421 -1.600 18522 7666 1 14 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.319 -0.216 18522 7667 1 14 . 1 1 39 39 GLN C C 51 172.856 172.856 173.018 -0.162 18522 7668 1 14 . 1 1 39 39 GLN CA C 51 55.127 55.127 54.703 0.424 18522 7669 1 14 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.272 0.104 18522 7670 1 14 . 1 1 39 39 GLN H H 51 6.967 6.967 7.318 -0.351 18522 7671 1 14 . 1 1 40 40 VAL N N 52 123.482 123.482 122.132 1.350 18522 7672 1 14 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.774 -0.497 18522 7673 1 14 . 1 1 40 40 VAL C C 52 176.198 176.198 174.307 1.891 18522 7674 1 14 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.578 1.996 18522 7675 1 14 . 1 1 40 40 VAL CB C 52 32.875 32.875 34.679 -1.804 18522 7676 1 14 . 1 1 40 40 VAL H H 52 8.447 8.447 8.077 0.370 18522 7677 1 14 . 1 1 41 41 PHE N N 53 128.296 128.296 123.492 4.804 18522 7678 1 14 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.692 -0.292 18522 7679 1 14 . 1 1 41 41 PHE C C 53 175.299 175.299 175.052 0.247 18522 7680 1 14 . 1 1 41 41 PHE CA C 53 58.494 58.494 58.271 0.223 18522 7681 1 14 . 1 1 41 41 PHE CB C 53 39.561 39.561 39.855 -0.294 18522 7682 1 14 . 1 1 41 41 PHE H H 53 8.707 8.707 8.365 0.342 18522 7683 1 14 . 1 1 42 42 ASP N N 54 122.696 122.696 115.786 6.910 18522 7684 1 14 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.655 -0.383 18522 7685 1 14 . 1 1 42 42 ASP C C 54 176.837 176.837 176.115 0.722 18522 7686 1 14 . 1 1 42 42 ASP CA C 54 55.291 55.291 54.921 0.370 18522 7687 1 14 . 1 1 42 42 ASP CB C 54 41.093 41.093 42.361 -1.268 18522 7688 1 14 . 1 1 42 42 ASP H H 54 8.901 8.901 8.484 0.417 18522 7689 1 14 . 1 1 43 43 ASN N N 55 113.923 113.923 116.633 -2.710 18522 7690 1 14 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.837 -0.579 18522 7691 1 14 . 1 1 43 43 ASN C C 55 173.714 173.714 174.766 -1.052 18522 7692 1 14 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.545 1.413 18522 7693 1 14 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.569 -2.420 18522 7694 1 14 . 1 1 43 43 ASN H H 55 9.319 9.319 8.287 1.032 18522 7695 1 14 . 1 1 44 44 THR N N 56 108.020 108.020 110.551 -2.531 18522 7696 1 14 . 1 1 44 44 THR HA H 56 5.377 5.377 5.065 0.312 18522 7697 1 14 . 1 1 44 44 THR CA C 56 59.712 59.712 58.886 0.826 18522 7698 1 14 . 1 1 44 44 THR CB C 56 69.529 69.529 70.280 -0.751 18522 7699 1 14 . 1 1 44 44 THR H H 56 7.149 7.149 7.489 -0.340 18522 7700 1 14 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.065 0.239 18522 7701 1 14 . 1 1 45 45 PRO C C 57 180.141 180.141 177.900 2.241 18522 7702 1 14 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.649 0.441 18522 7703 1 14 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.482 1.712 18522 7704 1 14 . 1 1 46 46 ALA N N 58 116.854 116.854 119.305 -2.451 18522 7705 1 14 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.001 0.034 18522 7706 1 14 . 1 1 46 46 ALA C C 58 180.647 180.647 179.383 1.264 18522 7707 1 14 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.144 0.051 18522 7708 1 14 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.089 0.791 18522 7709 1 14 . 1 1 46 46 ALA H H 58 8.938 8.938 7.802 1.136 18522 7710 1 14 . 1 1 47 47 ALA N N 59 123.250 123.250 121.049 2.201 18522 7711 1 14 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.062 -0.032 18522 7712 1 14 . 1 1 47 47 ALA C C 59 179.852 179.852 179.771 0.081 18522 7713 1 14 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.633 0.306 18522 7714 1 14 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.802 0.886 18522 7715 1 14 . 1 1 47 47 ALA H H 59 7.658 7.658 7.405 0.253 18522 7716 1 14 . 1 1 48 48 LEU N N 60 118.654 118.654 118.233 0.421 18522 7717 1 14 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.174 -0.148 18522 7718 1 14 . 1 1 48 48 LEU C C 60 179.238 179.238 178.248 0.990 18522 7719 1 14 . 1 1 48 48 LEU CA C 60 57.261 57.261 57.791 -0.530 18522 7720 1 14 . 1 1 48 48 LEU CB C 60 41.445 41.445 41.650 -0.205 18522 7721 1 14 . 1 1 48 48 LEU H H 60 8.636 8.636 8.471 0.165 18522 7722 1 14 . 1 1 49 49 ASP N N 61 117.382 117.382 119.000 -1.618 18522 7723 1 14 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.616 -0.195 18522 7724 1 14 . 1 1 49 49 ASP C C 61 177.668 177.668 177.646 0.022 18522 7725 1 14 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.511 2.576 18522 7726 1 14 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.619 2.859 18522 7727 1 14 . 1 1 49 49 ASP H H 61 7.665 7.665 7.726 -0.061 18522 7728 1 14 . 1 1 50 50 GLY N N 62 103.228 103.228 107.668 -4.440 18522 7729 1 14 . 1 1 50 50 GLY C C 62 174.776 174.776 175.134 -0.358 18522 7730 1 14 . 1 1 50 50 GLY CA C 62 46.533 46.533 45.662 0.871 18522 7731 1 14 . 1 1 50 50 GLY H H 62 7.216 7.216 7.847 -0.631 18522 7732 1 14 . 1 1 51 51 THR N N 63 117.230 117.230 113.532 3.698 18522 7733 1 14 . 1 1 51 51 THR HA H 63 3.907 3.907 3.894 0.013 18522 7734 1 14 . 1 1 51 51 THR C C 63 175.961 175.961 174.824 1.137 18522 7735 1 14 . 1 1 51 51 THR CA C 63 66.478 66.478 63.369 3.109 18522 7736 1 14 . 1 1 51 51 THR CB C 63 68.268 68.268 68.288 -0.020 18522 7737 1 14 . 1 1 51 51 THR H H 63 8.319 8.319 7.593 0.726 18522 7738 1 14 . 1 1 52 52 VAL N N 64 113.826 113.826 116.278 -2.452 18522 7739 1 14 . 1 1 52 52 VAL HA H 64 3.950 3.950 3.993 -0.043 18522 7740 1 14 . 1 1 52 52 VAL C C 64 173.883 173.883 174.202 -0.319 18522 7741 1 14 . 1 1 52 52 VAL CA C 64 60.708 60.708 59.419 1.289 18522 7742 1 14 . 1 1 52 52 VAL CB C 64 33.079 33.079 29.313 3.766 18522 7743 1 14 . 1 1 52 52 VAL H H 64 8.147 8.147 7.396 0.751 18522 7744 1 14 . 1 1 53 53 ALA N N 65 123.521 123.521 124.124 -0.603 18522 7745 1 14 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.351 0.063 18522 7746 1 14 . 1 1 53 53 ALA C C 65 175.247 175.247 176.703 -1.456 18522 7747 1 14 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.656 -0.216 18522 7748 1 14 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.736 2.530 18522 7749 1 14 . 1 1 53 53 ALA H H 65 8.633 8.633 7.095 1.538 18522 7750 1 14 . 1 1 54 54 ALA N N 66 120.818 120.818 122.709 -1.891 18522 7751 1 14 . 1 1 54 54 ALA HA H 66 3.720 3.720 3.799 -0.079 18522 7752 1 14 . 1 1 54 54 ALA C C 66 178.411 178.411 178.118 0.293 18522 7753 1 14 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.073 -0.057 18522 7754 1 14 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.543 0.297 18522 7755 1 14 . 1 1 54 54 ALA H H 66 8.451 8.451 8.382 0.069 18522 7756 1 14 . 1 1 55 55 GLY N N 67 112.260 112.260 113.696 -1.436 18522 7757 1 14 . 1 1 55 55 GLY C C 67 173.296 173.296 173.619 -0.323 18522 7758 1 14 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.639 0.386 18522 7759 1 14 . 1 1 55 55 GLY H H 67 9.600 9.600 8.312 1.288 18522 7760 1 14 . 1 1 56 56 ASP N N 68 121.293 121.293 122.041 -0.748 18522 7761 1 14 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.755 0.106 18522 7762 1 14 . 1 1 56 56 ASP C C 68 174.937 174.937 174.579 0.358 18522 7763 1 14 . 1 1 56 56 ASP CA C 68 55.641 55.641 54.512 1.129 18522 7764 1 14 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.639 -1.943 18522 7765 1 14 . 1 1 56 56 ASP H H 68 8.043 8.043 7.771 0.272 18522 7766 1 14 . 1 1 57 57 GLU N N 69 122.814 122.814 123.085 -0.271 18522 7767 1 14 . 1 1 57 57 GLU C C 69 177.202 177.202 176.247 0.955 18522 7768 1 14 . 1 1 57 57 GLU CA C 69 54.472 54.472 54.795 -0.323 18522 7769 1 14 . 1 1 57 57 GLU CB C 69 32.800 32.800 30.010 2.790 18522 7770 1 14 . 1 1 57 57 GLU H H 69 8.455 8.455 8.228 0.227 18522 7771 1 14 . 1 1 58 58 ILE N N 70 125.862 125.862 125.674 0.188 18522 7772 1 14 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.244 0.282 18522 7773 1 14 . 1 1 58 58 ILE C C 70 175.035 175.035 176.150 -1.115 18522 7774 1 14 . 1 1 58 58 ILE CA C 70 60.918 60.918 61.215 -0.297 18522 7775 1 14 . 1 1 58 58 ILE CB C 70 39.236 39.236 37.062 2.175 18522 7776 1 14 . 1 1 58 58 ILE H H 70 8.619 8.619 8.348 0.271 18522 7777 1 14 . 1 1 59 59 THR N N 71 115.507 115.507 118.173 -2.666 18522 7778 1 14 . 1 1 59 59 THR HA H 71 4.513 4.513 4.229 0.284 18522 7779 1 14 . 1 1 59 59 THR C C 71 176.425 176.425 173.664 2.761 18522 7780 1 14 . 1 1 59 59 THR CA C 71 61.158 61.158 61.640 -0.482 18522 7781 1 14 . 1 1 59 59 THR CB C 71 69.604 69.604 71.109 -1.505 18522 7782 1 14 . 1 1 59 59 THR H H 71 9.242 9.242 8.913 0.329 18522 7783 1 14 . 1 1 60 60 GLY N N 72 111.789 111.789 108.824 2.965 18522 7784 1 14 . 1 1 60 60 GLY C C 72 170.981 170.981 171.213 -0.232 18522 7785 1 14 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.751 0.803 18522 7786 1 14 . 1 1 60 60 GLY H H 72 7.883 7.883 7.529 0.354 18522 7787 1 14 . 1 1 61 61 VAL N N 73 119.277 119.277 119.802 -0.525 18522 7788 1 14 . 1 1 61 61 VAL C C 73 175.951 175.951 175.348 0.603 18522 7789 1 14 . 1 1 61 61 VAL CA C 73 60.982 60.982 58.909 2.073 18522 7790 1 14 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.657 1.540 18522 7791 1 14 . 1 1 61 61 VAL H H 73 8.424 8.424 8.839 -0.415 18522 7792 1 14 . 1 1 62 62 ASN N N 74 127.731 127.731 127.432 0.299 18522 7793 1 14 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.473 0.047 18522 7794 1 14 . 1 1 62 62 ASN C C 74 174.878 174.878 175.278 -0.400 18522 7795 1 14 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.718 -0.300 18522 7796 1 14 . 1 1 62 62 ASN CB C 74 36.655 36.655 37.411 -0.756 18522 7797 1 14 . 1 1 62 62 ASN H H 74 10.384 10.384 9.669 0.715 18522 7798 1 14 . 1 1 63 63 GLY N N 75 104.633 104.633 102.074 2.559 18522 7799 1 14 . 1 1 63 63 GLY C C 75 173.610 173.610 173.694 -0.084 18522 7800 1 14 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.841 0.420 18522 7801 1 14 . 1 1 63 63 GLY H H 75 8.926 8.926 8.821 0.105 18522 7802 1 14 . 1 1 64 64 ARG N N 76 120.451 120.451 121.979 -1.528 18522 7803 1 14 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.653 -0.152 18522 7804 1 14 . 1 1 64 64 ARG C C 76 175.085 175.085 175.866 -0.781 18522 7805 1 14 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.006 0.246 18522 7806 1 14 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.172 0.310 18522 7807 1 14 . 1 1 64 64 ARG H H 76 7.753 7.753 8.054 -0.301 18522 7808 1 14 . 1 1 65 65 SER N N 77 116.586 116.586 121.095 -4.509 18522 7809 1 14 . 1 1 65 65 SER HA H 77 4.483 4.483 4.521 -0.038 18522 7810 1 14 . 1 1 65 65 SER C C 77 176.953 176.953 175.517 1.436 18522 7811 1 14 . 1 1 65 65 SER CA C 77 58.292 58.292 58.420 -0.129 18522 7812 1 14 . 1 1 65 65 SER CB C 77 63.643 63.643 63.759 -0.116 18522 7813 1 14 . 1 1 65 65 SER H H 77 8.555 8.555 9.019 -0.464 18522 7814 1 14 . 1 1 66 66 ILE N N 78 116.618 116.618 120.473 -3.855 18522 7815 1 14 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.235 0.185 18522 7816 1 14 . 1 1 66 66 ILE C C 78 175.072 175.072 177.356 -2.284 18522 7817 1 14 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.884 -2.762 18522 7818 1 14 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.323 -0.565 18522 7819 1 14 . 1 1 66 66 ILE H H 78 7.599 7.599 8.210 -0.611 18522 7820 1 14 . 1 1 67 67 LYS N N 79 123.287 123.287 121.861 1.426 18522 7821 1 14 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.156 -0.107 18522 7822 1 14 . 1 1 67 67 LYS C C 79 178.333 178.333 177.901 0.432 18522 7823 1 14 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.555 -0.234 18522 7824 1 14 . 1 1 67 67 LYS CB C 79 31.635 31.635 32.256 -0.621 18522 7825 1 14 . 1 1 67 67 LYS H H 79 7.898 7.898 8.573 -0.675 18522 7826 1 14 . 1 1 68 68 GLY N N 80 114.933 114.933 107.126 7.807 18522 7827 1 14 . 1 1 68 68 GLY C C 80 174.385 174.385 174.832 -0.447 18522 7828 1 14 . 1 1 68 68 GLY CA C 80 45.518 45.518 46.111 -0.593 18522 7829 1 14 . 1 1 68 68 GLY H H 80 8.999 8.999 8.248 0.751 18522 7830 1 14 . 1 1 69 69 LYS N N 81 119.403 119.403 119.710 -0.307 18522 7831 1 14 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.514 -0.471 18522 7832 1 14 . 1 1 69 69 LYS C C 81 177.064 177.064 175.749 1.315 18522 7833 1 14 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.220 -0.498 18522 7834 1 14 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.178 0.382 18522 7835 1 14 . 1 1 69 69 LYS H H 81 7.845 7.845 7.831 0.014 18522 7836 1 14 . 1 1 70 70 THR N N 82 112.066 112.066 115.531 -3.465 18522 7837 1 14 . 1 1 70 70 THR HA H 82 4.666 4.666 4.532 0.134 18522 7838 1 14 . 1 1 70 70 THR C C 82 175.955 175.955 174.970 0.985 18522 7839 1 14 . 1 1 70 70 THR CA C 82 60.438 60.438 61.423 -0.985 18522 7840 1 14 . 1 1 70 70 THR CB C 82 71.629 71.629 72.385 -0.756 18522 7841 1 14 . 1 1 70 70 THR H H 82 9.153 9.153 7.941 1.212 18522 7842 1 14 . 1 1 71 71 LYS N N 83 118.730 118.730 125.068 -6.338 18522 7843 1 14 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.962 -0.092 18522 7844 1 14 . 1 1 71 71 LYS C C 83 177.464 177.464 178.375 -0.911 18522 7845 1 14 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.825 0.532 18522 7846 1 14 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.664 -0.314 18522 7847 1 14 . 1 1 71 71 LYS H H 83 8.969 8.969 8.800 0.169 18522 7848 1 14 . 1 1 72 72 VAL N N 84 117.444 117.444 118.810 -1.366 18522 7849 1 14 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.810 -0.177 18522 7850 1 14 . 1 1 72 72 VAL C C 84 178.315 178.315 177.724 0.591 18522 7851 1 14 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.582 0.497 18522 7852 1 14 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.067 1.024 18522 7853 1 14 . 1 1 72 72 VAL H H 84 7.631 7.631 8.211 -0.580 18522 7854 1 14 . 1 1 73 73 GLU N N 85 120.890 120.890 119.305 1.585 18522 7855 1 14 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.105 -0.141 18522 7856 1 14 . 1 1 73 73 GLU C C 85 179.971 179.971 178.945 1.026 18522 7857 1 14 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.661 -0.345 18522 7858 1 14 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.566 0.789 18522 7859 1 14 . 1 1 73 73 GLU H H 85 7.617 7.617 7.630 -0.013 18522 7860 1 14 . 1 1 74 74 VAL N N 86 121.246 121.246 118.393 2.853 18522 7861 1 14 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.815 -0.185 18522 7862 1 14 . 1 1 74 74 VAL C C 86 177.217 177.217 177.559 -0.342 18522 7863 1 14 . 1 1 74 74 VAL CA C 86 66.678 66.678 65.762 0.916 18522 7864 1 14 . 1 1 74 74 VAL CB C 86 31.307 31.307 30.614 0.693 18522 7865 1 14 . 1 1 74 74 VAL H H 86 8.368 8.368 8.291 0.077 18522 7866 1 14 . 1 1 75 75 ALA N N 87 122.148 122.148 122.829 -0.681 18522 7867 1 14 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.921 0.026 18522 7868 1 14 . 1 1 75 75 ALA C C 87 179.545 179.545 179.338 0.207 18522 7869 1 14 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.481 0.370 18522 7870 1 14 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.948 0.543 18522 7871 1 14 . 1 1 75 75 ALA H H 87 8.577 8.577 8.037 0.540 18522 7872 1 14 . 1 1 76 76 LYS N N 88 117.733 117.733 119.166 -1.433 18522 7873 1 14 . 1 1 76 76 LYS HA H 88 4.051 4.051 3.985 0.066 18522 7874 1 14 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.441 -0.047 18522 7875 1 14 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.316 -0.258 18522 7876 1 14 . 1 1 76 76 LYS H H 88 7.854 7.854 7.502 0.352 18522 7877 1 14 . 1 1 77 77 MET N N 89 117.676 117.676 118.200 -0.524 18522 7878 1 14 . 1 1 77 77 MET HA H 89 4.048 4.048 4.068 -0.020 18522 7879 1 14 . 1 1 77 77 MET C C 89 178.791 178.791 178.857 -0.066 18522 7880 1 14 . 1 1 77 77 MET CA C 89 59.128 59.128 59.465 -0.338 18522 7881 1 14 . 1 1 77 77 MET CB C 89 33.801 33.801 32.582 1.219 18522 7882 1 14 . 1 1 77 77 MET H H 89 7.759 7.759 8.163 -0.404 18522 7883 1 14 . 1 1 78 78 ILE N N 90 117.305 117.305 120.080 -2.775 18522 7884 1 14 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.691 -0.101 18522 7885 1 14 . 1 1 78 78 ILE C C 90 178.658 178.658 178.156 0.502 18522 7886 1 14 . 1 1 78 78 ILE CA C 90 65.482 65.482 65.559 -0.077 18522 7887 1 14 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.637 1.208 18522 7888 1 14 . 1 1 78 78 ILE H H 90 7.972 7.972 8.308 -0.336 18522 7889 1 14 . 1 1 79 79 GLN N N 91 120.935 120.935 118.833 2.102 18522 7890 1 14 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.186 -0.188 18522 7891 1 14 . 1 1 79 79 GLN C C 91 178.274 178.274 178.202 0.072 18522 7892 1 14 . 1 1 79 79 GLN CA C 91 59.151 59.151 57.486 1.665 18522 7893 1 14 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.239 0.695 18522 7894 1 14 . 1 1 79 79 GLN H H 91 8.826 8.826 8.297 0.529 18522 7895 1 14 . 1 1 80 80 GLU N N 92 115.213 115.213 119.721 -4.508 18522 7896 1 14 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.236 -0.175 18522 7897 1 14 . 1 1 80 80 GLU C C 92 176.824 176.824 178.690 -1.866 18522 7898 1 14 . 1 1 80 80 GLU CA C 92 58.006 58.006 58.363 -0.357 18522 7899 1 14 . 1 1 80 80 GLU CB C 92 29.890 29.890 30.114 -0.224 18522 7900 1 14 . 1 1 80 80 GLU H H 92 8.020 8.020 8.314 -0.294 18522 7901 1 14 . 1 1 81 81 VAL N N 93 119.047 119.047 118.623 0.424 18522 7902 1 14 . 1 1 81 81 VAL HA H 93 3.930 3.930 4.087 -0.157 18522 7903 1 14 . 1 1 81 81 VAL C C 93 176.016 176.016 174.898 1.118 18522 7904 1 14 . 1 1 81 81 VAL CA C 93 63.153 63.153 61.029 2.124 18522 7905 1 14 . 1 1 81 81 VAL CB C 93 32.154 32.154 29.639 2.515 18522 7906 1 14 . 1 1 81 81 VAL H H 93 7.073 7.073 7.843 -0.770 18522 7907 1 14 . 1 1 82 82 LYS N N 94 128.366 128.366 122.319 6.047 18522 7908 1 14 . 1 1 82 82 LYS C C 94 177.460 177.460 177.397 0.063 18522 7909 1 14 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.858 -2.106 18522 7910 1 14 . 1 1 82 82 LYS CB C 94 32.332 32.332 31.943 0.389 18522 7911 1 14 . 1 1 82 82 LYS H H 94 8.762 8.762 8.078 0.684 18522 7912 1 14 . 1 1 83 83 GLY N N 95 112.528 112.528 111.323 1.205 18522 7913 1 14 . 1 1 83 83 GLY C C 95 173.468 173.468 173.459 0.009 18522 7914 1 14 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.017 1.226 18522 7915 1 14 . 1 1 83 83 GLY H H 95 8.673 8.673 9.029 -0.356 18522 7916 1 14 . 1 1 84 84 GLU N N 96 121.485 121.485 119.645 1.840 18522 7917 1 14 . 1 1 84 84 GLU HA H 96 4.749 4.749 5.110 -0.361 18522 7918 1 14 . 1 1 84 84 GLU C C 96 174.583 174.583 174.408 0.175 18522 7919 1 14 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.795 1.026 18522 7920 1 14 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.959 -2.549 18522 7921 1 14 . 1 1 84 84 GLU H H 96 8.297 8.297 7.772 0.525 18522 7922 1 14 . 1 1 85 85 VAL N N 97 120.501 120.501 115.746 4.755 18522 7923 1 14 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.683 -0.018 18522 7924 1 14 . 1 1 85 85 VAL C C 97 173.047 173.047 174.393 -1.346 18522 7925 1 14 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.216 -0.102 18522 7926 1 14 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.712 -0.527 18522 7927 1 14 . 1 1 85 85 VAL H H 97 9.096 9.096 9.069 0.027 18522 7928 1 14 . 1 1 86 86 THR N N 98 125.019 125.019 121.944 3.075 18522 7929 1 14 . 1 1 86 86 THR HA H 98 4.076 4.076 5.086 -1.010 18522 7930 1 14 . 1 1 86 86 THR C C 98 173.807 173.807 173.537 0.270 18522 7931 1 14 . 1 1 86 86 THR CA C 98 61.735 61.735 61.865 -0.130 18522 7932 1 14 . 1 1 86 86 THR CB C 98 69.531 69.531 70.247 -0.716 18522 7933 1 14 . 1 1 86 86 THR H H 98 9.352 9.352 8.835 0.517 18522 7934 1 14 . 1 1 87 87 ILE N N 99 128.383 128.383 124.449 3.934 18522 7935 1 14 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.728 -0.067 18522 7936 1 14 . 1 1 87 87 ILE C C 99 174.614 174.614 174.336 0.278 18522 7937 1 14 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.093 -0.835 18522 7938 1 14 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.703 -0.175 18522 7939 1 14 . 1 1 87 87 ILE H H 99 9.329 9.329 9.086 0.243 18522 7940 1 14 . 1 1 88 88 HIS N N 100 128.279 128.279 126.536 1.743 18522 7941 1 14 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.586 -0.638 18522 7942 1 14 . 1 1 88 88 HIS C C 100 174.787 174.787 174.879 -0.092 18522 7943 1 14 . 1 1 88 88 HIS CA C 100 54.620 54.620 54.363 0.257 18522 7944 1 14 . 1 1 88 88 HIS H H 100 8.647 8.647 8.949 -0.302 18522 7945 1 14 . 1 1 89 89 TYR N N 101 121.320 121.320 122.423 -1.103 18522 7946 1 14 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.347 0.600 18522 7947 1 14 . 1 1 89 89 TYR C C 101 173.769 173.769 173.225 0.544 18522 7948 1 14 . 1 1 89 89 TYR CA C 101 55.669 55.669 55.599 0.070 18522 7949 1 14 . 1 1 89 89 TYR CB C 101 42.195 42.195 40.975 1.220 18522 7950 1 14 . 1 1 89 89 TYR H H 101 8.414 8.414 9.033 -0.619 18522 7951 1 14 . 1 1 90 90 ASN N N 102 116.679 116.679 118.229 -1.550 18522 7952 1 14 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.506 -0.171 18522 7953 1 14 . 1 1 90 90 ASN C C 102 175.406 175.406 174.568 0.838 18522 7954 1 14 . 1 1 90 90 ASN CA C 102 51.961 51.961 51.421 0.540 18522 7955 1 14 . 1 1 90 90 ASN CB C 102 41.800 41.800 43.113 -1.313 18522 7956 1 14 . 1 1 90 90 ASN H H 102 9.282 9.282 9.022 0.260 18522 7957 1 14 . 1 1 91 91 LYS N N 103 124.129 124.129 119.960 4.169 18522 7958 1 14 . 1 1 91 91 LYS C C 103 176.678 176.678 177.041 -0.363 18522 7959 1 14 . 1 1 91 91 LYS CA C 103 55.006 55.006 54.310 0.696 18522 7960 1 14 . 1 1 91 91 LYS H H 103 8.949 8.949 8.449 0.500 18522 7961 1 14 . 1 1 92 92 LEU N N 104 127.043 127.043 116.576 10.467 18522 7962 1 14 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.014 0.411 18522 7963 1 14 . 1 1 92 92 LEU CA C 104 55.060 55.060 55.623 -0.563 18522 7964 1 14 . 1 1 92 92 LEU CB C 104 42.559 42.559 39.407 3.152 18522 7965 1 14 . 1 1 92 92 LEU H H 104 9.150 9.150 8.510 0.640 18522 7966 1 14 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.266 0.049 18522 7967 1 14 . 1 1 93 93 GLN C C 105 175.070 175.070 174.774 0.296 18522 7968 1 14 . 1 1 93 93 GLN CA C 105 55.490 55.490 55.969 -0.479 18522 7969 1 14 . 1 1 93 93 GLN CB C 105 28.909 28.909 27.661 1.248 18522 7970 1 14 . 1 1 94 94 ALA N N 106 125.133 125.133 122.892 2.241 18522 7971 1 14 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.532 -0.167 18522 7972 1 14 . 1 1 94 94 ALA C C 106 176.392 176.392 174.950 1.442 18522 7973 1 14 . 1 1 94 94 ALA CA C 106 51.723 51.723 51.608 0.115 18522 7974 1 14 . 1 1 94 94 ALA CB C 106 20.185 20.185 21.563 -1.378 18522 7975 1 14 . 1 1 94 94 ALA H H 106 8.226 8.226 8.102 0.124 18522 7976 1 14 . 1 1 95 95 ASP N N 107 122.013 122.013 118.682 3.331 18522 7977 1 14 . 1 1 95 95 ASP HA H 107 4.413 4.413 5.069 -0.656 18522 7978 1 14 . 1 1 95 95 ASP C C 107 175.019 175.019 175.120 -0.101 18522 7979 1 14 . 1 1 95 95 ASP CA C 107 55.642 55.642 52.698 2.944 18522 7980 1 14 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.298 -1.032 18522 7981 1 14 . 1 1 95 95 ASP H H 107 8.429 8.429 8.475 -0.046 18522 7982 1 14 . 1 1 96 96 PRO HA H 108 4.207 4.207 4.075 0.132 18522 7983 1 14 . 1 1 96 96 PRO C C 108 178.840 178.840 178.325 0.515 18522 7984 1 14 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.351 -0.955 18522 7985 1 14 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.628 0.553 18522 7986 1 14 . 1 1 97 97 LYS N N 109 117.942 117.942 115.177 2.765 18522 7987 1 14 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.055 0.088 18522 7988 1 14 . 1 1 97 97 LYS C C 109 178.099 178.099 179.034 -0.935 18522 7989 1 14 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.105 -0.938 18522 7990 1 14 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.489 0.160 18522 7991 1 14 . 1 1 97 97 LYS H H 109 8.335 8.335 8.331 0.004 18522 7992 1 14 . 1 1 98 98 GLN N N 110 119.159 119.159 118.028 1.131 18522 7993 1 14 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.429 -0.299 18522 7994 1 14 . 1 1 98 98 GLN C C 110 178.298 178.298 178.017 0.281 18522 7995 1 14 . 1 1 98 98 GLN CA C 110 57.660 57.660 56.938 0.722 18522 7996 1 14 . 1 1 98 98 GLN CB C 110 28.720 28.720 29.001 -0.281 18522 7997 1 14 . 1 1 98 98 GLN H H 110 7.985 7.985 8.097 -0.112 18522 7998 1 14 . 1 1 99 99 LEU N N 111 120.490 120.490 122.121 -1.631 18522 7999 1 14 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.243 -0.366 18522 8000 1 14 . 1 1 99 99 LEU C C 111 177.729 177.729 178.365 -0.636 18522 8001 1 14 . 1 1 99 99 LEU CA C 111 57.049 57.049 57.766 -0.717 18522 8002 1 14 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.861 -0.395 18522 8003 1 14 . 1 1 99 99 LEU H H 111 7.994 7.994 8.534 -0.540 18522 8004 1 14 . 1 1 100 100 GLU N N 112 118.251 118.251 118.976 -0.725 18522 8005 1 14 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.145 -0.173 18522 8006 1 14 . 1 1 100 100 GLU C C 112 178.402 178.402 178.939 -0.537 18522 8007 1 14 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.356 -0.300 18522 8008 1 14 . 1 1 100 100 GLU CB C 112 29.732 29.732 28.967 0.765 18522 8009 1 14 . 1 1 100 100 GLU H H 112 7.760 7.760 8.073 -0.313 18522 8010 1 14 . 1 1 101 101 VAL N N 113 117.229 117.229 120.749 -3.520 18522 8011 1 14 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.759 0.003 18522 8012 1 14 . 1 1 101 101 VAL C C 113 178.107 178.107 177.589 0.518 18522 8013 1 14 . 1 1 101 101 VAL CA C 113 64.791 64.791 66.516 -1.725 18522 8014 1 14 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.699 0.450 18522 8015 1 14 . 1 1 101 101 VAL H H 113 7.437 7.437 7.390 0.047 18522 8016 1 14 . 1 1 102 102 LEU N N 114 122.124 122.124 117.858 4.266 18522 8017 1 14 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.175 -0.142 18522 8018 1 14 . 1 1 102 102 LEU C C 114 178.506 178.506 178.995 -0.489 18522 8019 1 14 . 1 1 102 102 LEU CA C 114 57.243 57.243 57.028 0.215 18522 8020 1 14 . 1 1 102 102 LEU CB C 114 42.028 42.028 41.885 0.144 18522 8021 1 14 . 1 1 102 102 LEU H H 114 7.765 7.765 7.546 0.219 18522 8022 1 14 . 1 1 103 103 PHE N N 115 115.346 115.346 120.367 -5.021 18522 8023 1 14 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.258 -0.034 18522 8024 1 14 . 1 1 103 103 PHE C C 115 175.621 175.621 177.063 -1.442 18522 8025 1 14 . 1 1 103 103 PHE CA C 115 57.537 57.537 60.698 -3.161 18522 8026 1 14 . 1 1 103 103 PHE CB C 115 38.057 38.057 39.314 -1.257 18522 8027 1 14 . 1 1 103 103 PHE H H 115 7.805 7.805 7.909 -0.104 18522 8028 1 14 . 1 1 104 104 GLN N N 116 119.021 119.021 118.525 0.496 18522 8029 1 14 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.210 0.197 18522 8030 1 14 . 1 1 104 104 GLN C C 116 176.402 176.402 175.878 0.524 18522 8031 1 14 . 1 1 104 104 GLN CA C 116 55.521 55.521 56.455 -0.934 18522 8032 1 14 . 1 1 104 104 GLN CB C 116 29.170 29.170 30.922 -1.752 18522 8033 1 14 . 1 1 104 104 GLN H H 116 7.974 7.974 7.908 0.066 18522 8034 1 14 . 1 1 105 105 GLY N N 117 108.868 108.868 107.591 1.277 18522 8035 1 14 . 1 1 105 105 GLY CA C 117 45.124 45.124 44.691 0.433 18522 8036 1 14 . 1 1 105 105 GLY H H 117 8.195 8.195 8.175 0.020 18522 8037 1 14 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.335 0.155 18522 8038 1 14 . 1 1 106 106 PRO C C 118 176.001 176.001 176.420 -0.419 18522 8039 1 14 . 1 1 106 106 PRO CA C 118 63.523 63.523 64.174 -0.651 18522 8040 1 14 . 1 1 106 106 PRO CB C 118 32.078 32.078 32.284 -0.206 18522 8041 1 14 . 1 1 107 107 GLN N N 119 126.950 126.950 115.210 11.740 18522 8042 1 14 . 1 1 107 107 GLN C C 119 181.211 181.211 173.691 7.520 18522 8043 1 14 . 1 1 107 107 GLN CA C 119 57.416 57.416 54.614 2.801 18522 8044 1 14 . 1 1 107 107 GLN H H 119 8.079 8.079 7.748 0.331 18522 8045 1 14 . 1 1 111 111 ARG C C 123 174.608 174.608 174.670 -0.062 18522 8046 1 14 . 1 1 111 111 ARG CA C 123 55.099 55.099 55.976 -0.877 18522 8047 1 14 . 1 1 112 112 HIS N N 124 122.212 122.212 121.624 0.588 18522 8048 1 14 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.470 0.248 18522 8049 1 14 . 1 1 112 112 HIS C C 124 176.040 176.040 173.096 2.944 18522 8050 1 14 . 1 1 112 112 HIS CA C 124 54.213 54.213 54.171 0.042 18522 8051 1 14 . 1 1 112 112 HIS CB C 124 31.164 31.164 30.347 0.817 18522 8052 1 14 . 1 1 112 112 HIS H H 124 7.640 7.640 8.294 -0.654 18522 8053 1 14 . 1 1 113 113 TRP C C 125 176.168 176.168 174.240 1.928 18522 8054 1 14 . 1 1 114 114 LEU N N 126 121.893 121.893 116.641 5.252 18522 8055 1 14 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.855 0.014 18522 8056 1 14 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.670 0.481 18522 8057 1 14 . 1 1 114 114 LEU CB C 126 45.144 45.144 44.076 1.068 18522 8058 1 14 . 1 1 114 114 LEU H H 126 8.606 8.606 8.922 -0.316 18522 8059 1 14 . 1 1 115 115 LYS N N 127 125.850 125.850 120.742 5.108 18522 8060 1 14 . 1 1 115 115 LYS HA H 127 4.203 4.203 5.004 -0.801 18522 8061 1 14 . 1 1 115 115 LYS C C 127 175.564 175.564 175.228 0.336 18522 8062 1 14 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.763 1.489 18522 8063 1 14 . 1 1 115 115 LYS CB C 127 33.406 33.406 33.439 -0.033 18522 8064 1 14 . 1 1 115 115 LYS H H 127 8.647 8.647 8.403 0.244 18522 8065 1 15 . 1 1 3 3 PRO C C 15 177.225 177.225 177.191 0.034 18522 8066 1 15 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.283 1.225 18522 8067 1 15 . 1 1 3 3 PRO CB C 15 32.090 32.090 30.251 1.839 18522 8068 1 15 . 1 1 4 4 GLY N N 16 108.829 108.829 112.265 -3.436 18522 8069 1 15 . 1 1 4 4 GLY C C 16 173.398 173.398 174.689 -1.291 18522 8070 1 15 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.987 0.141 18522 8071 1 15 . 1 1 4 4 GLY H H 16 8.489 8.489 8.047 0.442 18522 8072 1 15 . 1 1 5 5 ILE N N 17 121.763 121.763 119.672 2.091 18522 8073 1 15 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.333 0.221 18522 8074 1 15 . 1 1 5 5 ILE C C 17 174.332 174.332 175.865 -1.533 18522 8075 1 15 . 1 1 5 5 ILE CA C 17 58.245 58.245 58.943 -0.698 18522 8076 1 15 . 1 1 5 5 ILE CB C 17 38.762 38.762 37.539 1.223 18522 8077 1 15 . 1 1 5 5 ILE H H 17 8.014 8.014 7.888 0.126 18522 8078 1 15 . 1 1 6 6 PRO C C 18 176.437 176.437 176.318 0.119 18522 8079 1 15 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.428 -1.761 18522 8080 1 15 . 1 1 6 6 PRO CB C 18 32.469 32.469 31.918 0.551 18522 8081 1 15 . 1 1 7 7 VAL N N 19 123.849 123.849 112.919 10.930 18522 8082 1 15 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.618 -0.068 18522 8083 1 15 . 1 1 7 7 VAL C C 19 174.453 174.453 172.999 1.454 18522 8084 1 15 . 1 1 7 7 VAL CA C 19 59.846 59.846 58.180 1.666 18522 8085 1 15 . 1 1 7 7 VAL CB C 19 33.510 33.510 33.345 0.165 18522 8086 1 15 . 1 1 7 7 VAL H H 19 8.754 8.754 7.441 1.313 18522 8087 1 15 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.663 0.675 18522 8088 1 15 . 1 1 8 8 PRO C C 20 177.585 177.585 176.642 0.943 18522 8089 1 15 . 1 1 8 8 PRO CA C 20 62.406 62.406 62.783 -0.377 18522 8090 1 15 . 1 1 8 8 PRO CB C 20 32.891 32.891 31.400 1.491 18522 8091 1 15 . 1 1 9 9 GLY N N 21 108.426 108.426 112.808 -4.382 18522 8092 1 15 . 1 1 9 9 GLY C C 21 171.443 171.443 172.289 -0.846 18522 8093 1 15 . 1 1 9 9 GLY CA C 21 44.581 44.581 44.464 0.117 18522 8094 1 15 . 1 1 9 9 GLY H H 21 8.258 8.258 8.746 -0.488 18522 8095 1 15 . 1 1 10 10 LYS N N 22 117.372 117.372 126.336 -8.964 18522 8096 1 15 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.280 -1.241 18522 8097 1 15 . 1 1 10 10 LYS C C 22 174.463 174.463 175.802 -1.339 18522 8098 1 15 . 1 1 10 10 LYS CA C 22 55.263 55.263 55.151 0.112 18522 8099 1 15 . 1 1 10 10 LYS CB C 22 35.227 35.227 34.445 0.782 18522 8100 1 15 . 1 1 10 10 LYS H H 22 8.175 8.175 8.218 -0.043 18522 8101 1 15 . 1 1 11 11 VAL N N 23 120.387 120.387 119.934 0.453 18522 8102 1 15 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.599 0.109 18522 8103 1 15 . 1 1 11 11 VAL C C 23 171.873 171.873 174.303 -2.430 18522 8104 1 15 . 1 1 11 11 VAL CA C 23 59.866 59.866 59.739 0.127 18522 8105 1 15 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.339 -0.070 18522 8106 1 15 . 1 1 11 11 VAL H H 23 8.862 8.862 7.991 0.871 18522 8107 1 15 . 1 1 12 12 THR N N 24 125.797 125.797 119.081 6.716 18522 8108 1 15 . 1 1 12 12 THR HA H 24 5.121 5.121 4.741 0.380 18522 8109 1 15 . 1 1 12 12 THR C C 24 173.407 173.407 173.424 -0.017 18522 8110 1 15 . 1 1 12 12 THR CA C 24 62.115 62.115 60.092 2.023 18522 8111 1 15 . 1 1 12 12 THR CB C 24 69.606 69.606 69.755 -0.149 18522 8112 1 15 . 1 1 12 12 THR H H 24 8.859 8.859 8.294 0.565 18522 8113 1 15 . 1 1 13 13 LEU N N 25 127.960 127.960 126.836 1.124 18522 8114 1 15 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.835 -0.026 18522 8115 1 15 . 1 1 13 13 LEU C C 25 175.029 175.029 175.244 -0.215 18522 8116 1 15 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.287 0.336 18522 8117 1 15 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.257 0.985 18522 8118 1 15 . 1 1 13 13 LEU H H 25 9.258 9.258 8.141 1.117 18522 8119 1 15 . 1 1 14 14 GLN N N 26 120.858 120.858 117.674 3.184 18522 8120 1 15 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.553 -0.071 18522 8121 1 15 . 1 1 14 14 GLN C C 26 174.515 174.515 174.834 -0.319 18522 8122 1 15 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.195 0.381 18522 8123 1 15 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.866 -2.350 18522 8124 1 15 . 1 1 14 14 GLN H H 26 8.530 8.530 8.305 0.225 18522 8125 1 15 . 1 1 15 15 LYS N N 27 119.583 119.583 122.524 -2.941 18522 8126 1 15 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.199 -0.019 18522 8127 1 15 . 1 1 15 15 LYS C C 27 177.468 177.468 176.964 0.504 18522 8128 1 15 . 1 1 15 15 LYS CA C 27 55.956 55.956 57.011 -1.056 18522 8129 1 15 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.587 1.512 18522 8130 1 15 . 1 1 15 15 LYS H H 27 8.099 8.099 8.113 -0.014 18522 8131 1 15 . 1 1 16 16 ASP N N 28 121.439 121.439 122.256 -0.817 18522 8132 1 15 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.639 -0.049 18522 8133 1 15 . 1 1 16 16 ASP C C 28 178.392 178.392 178.151 0.241 18522 8134 1 15 . 1 1 16 16 ASP CA C 28 52.426 52.426 54.286 -1.860 18522 8135 1 15 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.535 -1.158 18522 8136 1 15 . 1 1 16 16 ASP H H 28 8.888 8.888 8.544 0.344 18522 8137 1 15 . 1 1 17 17 ALA N N 29 119.578 119.578 122.612 -3.034 18522 8138 1 15 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.157 0.031 18522 8139 1 15 . 1 1 17 17 ALA C C 29 178.763 178.763 178.301 0.462 18522 8140 1 15 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.443 -0.009 18522 8141 1 15 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.594 -0.301 18522 8142 1 15 . 1 1 17 17 ALA H H 29 8.392 8.392 8.595 -0.203 18522 8143 1 15 . 1 1 18 18 GLN N N 30 117.564 117.564 117.616 -0.052 18522 8144 1 15 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.326 0.073 18522 8145 1 15 . 1 1 18 18 GLN C C 30 175.168 175.168 175.673 -0.505 18522 8146 1 15 . 1 1 18 18 GLN CA C 30 55.339 55.339 54.932 0.407 18522 8147 1 15 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.151 -0.562 18522 8148 1 15 . 1 1 18 18 GLN H H 30 8.353 8.353 7.971 0.382 18522 8149 1 15 . 1 1 19 19 ASN N N 31 115.365 115.365 115.401 -0.036 18522 8150 1 15 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.381 -0.066 18522 8151 1 15 . 1 1 19 19 ASN C C 31 174.043 174.043 173.031 1.012 18522 8152 1 15 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.610 -0.307 18522 8153 1 15 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.887 -0.277 18522 8154 1 15 . 1 1 19 19 ASN H H 31 8.521 8.521 8.119 0.402 18522 8155 1 15 . 1 1 20 20 LEU N N 32 118.660 118.660 113.857 4.803 18522 8156 1 15 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.958 -0.058 18522 8157 1 15 . 1 1 20 20 LEU C C 32 178.117 178.117 176.698 1.419 18522 8158 1 15 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.989 -0.032 18522 8159 1 15 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.577 1.197 18522 8160 1 15 . 1 1 20 20 LEU H H 32 8.155 8.155 7.357 0.797 18522 8161 1 15 . 1 1 21 21 ILE N N 33 116.785 116.785 115.048 1.737 18522 8162 1 15 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.438 0.236 18522 8163 1 15 . 1 1 21 21 ILE C C 33 176.185 176.185 176.208 -0.023 18522 8164 1 15 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.461 1.141 18522 8165 1 15 . 1 1 21 21 ILE CB C 33 39.016 39.016 38.707 0.309 18522 8166 1 15 . 1 1 21 21 ILE H H 33 11.488 11.488 8.190 3.298 18522 8167 1 15 . 1 1 22 22 GLY N N 34 111.234 111.234 108.889 2.345 18522 8168 1 15 . 1 1 22 22 GLY C C 34 173.993 173.993 173.579 0.414 18522 8169 1 15 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.403 0.577 18522 8170 1 15 . 1 1 22 22 GLY H H 34 9.854 9.854 8.365 1.489 18522 8171 1 15 . 1 1 23 23 ILE N N 35 111.117 111.117 113.432 -2.315 18522 8172 1 15 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.331 0.204 18522 8173 1 15 . 1 1 23 23 ILE C C 35 175.033 175.033 173.992 1.041 18522 8174 1 15 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.952 0.463 18522 8175 1 15 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.665 -0.088 18522 8176 1 15 . 1 1 23 23 ILE H H 35 7.835 7.835 8.220 -0.385 18522 8177 1 15 . 1 1 24 24 SER N N 36 114.908 114.908 115.908 -1.000 18522 8178 1 15 . 1 1 24 24 SER HA H 36 4.232 4.232 5.173 -0.941 18522 8179 1 15 . 1 1 24 24 SER C C 36 174.735 174.735 172.822 1.913 18522 8180 1 15 . 1 1 24 24 SER CA C 36 56.121 56.121 57.260 -1.139 18522 8181 1 15 . 1 1 24 24 SER CB C 36 66.097 66.097 65.777 0.320 18522 8182 1 15 . 1 1 24 24 SER H H 36 8.623 8.623 8.319 0.304 18522 8183 1 15 . 1 1 25 25 ILE N N 37 117.739 117.739 124.359 -6.620 18522 8184 1 15 . 1 1 25 25 ILE C C 37 174.340 174.340 175.235 -0.895 18522 8185 1 15 . 1 1 25 25 ILE CA C 37 59.123 59.123 58.627 0.496 18522 8186 1 15 . 1 1 25 25 ILE CB C 37 41.637 41.637 40.933 0.704 18522 8187 1 15 . 1 1 25 25 ILE H H 37 9.130 9.130 8.738 0.393 18522 8188 1 15 . 1 1 26 26 GLY N N 38 108.069 108.069 112.839 -4.770 18522 8189 1 15 . 1 1 26 26 GLY CA C 38 44.112 44.112 45.711 -1.599 18522 8190 1 15 . 1 1 26 26 GLY H H 38 8.841 8.841 8.911 -0.070 18522 8191 1 15 . 1 1 27 27 GLY N N 39 109.016 109.016 107.576 1.440 18522 8192 1 15 . 1 1 27 27 GLY C C 39 173.956 173.956 174.891 -0.935 18522 8193 1 15 . 1 1 27 27 GLY H H 39 8.187 8.187 8.472 -0.285 18522 8194 1 15 . 1 1 28 28 GLY N N 40 111.783 111.783 108.067 3.716 18522 8195 1 15 . 1 1 28 28 GLY C C 40 174.255 174.255 173.162 1.093 18522 8196 1 15 . 1 1 28 28 GLY CA C 40 47.098 47.098 45.413 1.685 18522 8197 1 15 . 1 1 28 28 GLY H H 40 8.275 8.275 8.244 0.031 18522 8198 1 15 . 1 1 29 29 ALA N N 41 123.128 123.128 121.611 1.517 18522 8199 1 15 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.573 -0.014 18522 8200 1 15 . 1 1 29 29 ALA CA C 41 51.073 51.073 53.491 -2.418 18522 8201 1 15 . 1 1 29 29 ALA CB C 41 21.926 21.926 19.813 2.113 18522 8202 1 15 . 1 1 29 29 ALA H H 41 8.012 8.012 8.058 -0.046 18522 8203 1 15 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.809 -0.260 18522 8204 1 15 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.863 -2.716 18522 8205 1 15 . 1 1 31 31 TYR CB C 43 37.495 37.495 39.834 -2.339 18522 8206 1 15 . 1 1 32 32 CYS N N 44 119.332 119.332 115.403 3.929 18522 8207 1 15 . 1 1 32 32 CYS HA H 44 4.859 4.859 5.104 -0.245 18522 8208 1 15 . 1 1 32 32 CYS CA C 44 57.406 57.406 56.805 0.601 18522 8209 1 15 . 1 1 32 32 CYS CB C 44 27.673 27.673 27.473 0.200 18522 8210 1 15 . 1 1 32 32 CYS H H 44 7.504 7.504 8.364 -0.860 18522 8211 1 15 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.822 -0.409 18522 8212 1 15 . 1 1 33 33 PRO CA C 45 64.885 64.885 61.769 3.116 18522 8213 1 15 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.670 -0.352 18522 8214 1 15 . 1 1 34 34 CYS N N 46 117.327 117.327 114.895 2.432 18522 8215 1 15 . 1 1 34 34 CYS C C 46 172.064 172.064 175.966 -3.902 18522 8216 1 15 . 1 1 34 34 CYS CA C 46 60.066 60.066 60.169 -0.103 18522 8217 1 15 . 1 1 34 34 CYS CB C 46 28.715 28.715 27.699 1.016 18522 8218 1 15 . 1 1 34 34 CYS H H 46 7.973 7.973 8.143 -0.170 18522 8219 1 15 . 1 1 35 35 LEU N N 47 124.270 124.270 115.616 8.654 18522 8220 1 15 . 1 1 35 35 LEU HA H 47 4.928 4.928 3.549 1.379 18522 8221 1 15 . 1 1 35 35 LEU C C 47 175.076 175.076 177.159 -2.083 18522 8222 1 15 . 1 1 35 35 LEU CA C 47 53.278 53.278 57.571 -4.293 18522 8223 1 15 . 1 1 35 35 LEU CB C 47 44.321 44.321 39.803 4.518 18522 8224 1 15 . 1 1 35 35 LEU H H 47 8.629 8.629 9.072 -0.443 18522 8225 1 15 . 1 1 36 36 TYR N N 48 119.326 119.326 112.841 6.485 18522 8226 1 15 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.048 1.207 18522 8227 1 15 . 1 1 36 36 TYR C C 48 175.766 175.766 176.860 -1.094 18522 8228 1 15 . 1 1 36 36 TYR CA C 48 56.696 56.696 60.956 -4.260 18522 8229 1 15 . 1 1 36 36 TYR CB C 48 42.590 42.590 36.778 5.812 18522 8230 1 15 . 1 1 36 36 TYR H H 48 8.761 8.761 7.755 1.006 18522 8231 1 15 . 1 1 37 37 ILE N N 49 120.259 120.259 122.290 -2.031 18522 8232 1 15 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.380 -0.165 18522 8233 1 15 . 1 1 37 37 ILE C C 49 177.429 177.429 176.113 1.316 18522 8234 1 15 . 1 1 37 37 ILE CA C 49 62.456 62.456 60.955 1.501 18522 8235 1 15 . 1 1 37 37 ILE CB C 49 37.352 37.352 37.274 0.078 18522 8236 1 15 . 1 1 37 37 ILE H H 49 8.959 8.959 7.968 0.991 18522 8237 1 15 . 1 1 38 38 VAL HA H 50 3.937 3.937 3.766 0.171 18522 8238 1 15 . 1 1 38 38 VAL C C 50 174.408 174.408 175.431 -1.023 18522 8239 1 15 . 1 1 38 38 VAL CA C 50 62.259 62.259 62.516 -0.257 18522 8240 1 15 . 1 1 38 38 VAL CB C 50 31.584 31.584 31.650 -0.066 18522 8241 1 15 . 1 1 39 39 GLN N N 51 116.821 116.821 117.668 -0.847 18522 8242 1 15 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.329 -0.226 18522 8243 1 15 . 1 1 39 39 GLN C C 51 172.856 172.856 172.942 -0.086 18522 8244 1 15 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.088 0.039 18522 8245 1 15 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.204 0.172 18522 8246 1 15 . 1 1 39 39 GLN H H 51 6.967 6.967 7.313 -0.346 18522 8247 1 15 . 1 1 40 40 VAL N N 52 123.482 123.482 121.392 2.090 18522 8248 1 15 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.672 -0.395 18522 8249 1 15 . 1 1 40 40 VAL C C 52 176.198 176.198 174.333 1.865 18522 8250 1 15 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.823 1.751 18522 8251 1 15 . 1 1 40 40 VAL CB C 52 32.875 32.875 34.964 -2.089 18522 8252 1 15 . 1 1 40 40 VAL H H 52 8.447 8.447 8.014 0.433 18522 8253 1 15 . 1 1 41 41 PHE N N 53 128.296 128.296 123.914 4.382 18522 8254 1 15 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.700 -0.300 18522 8255 1 15 . 1 1 41 41 PHE C C 53 175.299 175.299 175.056 0.243 18522 8256 1 15 . 1 1 41 41 PHE CA C 53 58.494 58.494 58.302 0.192 18522 8257 1 15 . 1 1 41 41 PHE CB C 53 39.561 39.561 39.793 -0.232 18522 8258 1 15 . 1 1 41 41 PHE H H 53 8.707 8.707 8.140 0.567 18522 8259 1 15 . 1 1 42 42 ASP N N 54 122.696 122.696 115.797 6.899 18522 8260 1 15 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.672 -0.400 18522 8261 1 15 . 1 1 42 42 ASP C C 54 176.837 176.837 176.041 0.796 18522 8262 1 15 . 1 1 42 42 ASP CA C 54 55.291 55.291 55.005 0.286 18522 8263 1 15 . 1 1 42 42 ASP CB C 54 41.093 41.093 42.488 -1.395 18522 8264 1 15 . 1 1 42 42 ASP H H 54 8.901 8.901 8.434 0.467 18522 8265 1 15 . 1 1 43 43 ASN N N 55 113.923 113.923 117.010 -3.087 18522 8266 1 15 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.825 -0.567 18522 8267 1 15 . 1 1 43 43 ASN C C 55 173.714 173.714 174.594 -0.880 18522 8268 1 15 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.691 1.267 18522 8269 1 15 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.479 -2.329 18522 8270 1 15 . 1 1 43 43 ASN H H 55 9.319 9.319 8.258 1.061 18522 8271 1 15 . 1 1 44 44 THR N N 56 108.020 108.020 111.375 -3.355 18522 8272 1 15 . 1 1 44 44 THR HA H 56 5.377 5.377 4.989 0.388 18522 8273 1 15 . 1 1 44 44 THR CA C 56 59.712 59.712 59.389 0.323 18522 8274 1 15 . 1 1 44 44 THR CB C 56 69.529 69.529 70.112 -0.583 18522 8275 1 15 . 1 1 44 44 THR H H 56 7.149 7.149 7.511 -0.362 18522 8276 1 15 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.100 0.204 18522 8277 1 15 . 1 1 45 45 PRO C C 57 180.141 180.141 178.165 1.976 18522 8278 1 15 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.737 0.353 18522 8279 1 15 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.429 1.765 18522 8280 1 15 . 1 1 46 46 ALA N N 58 116.854 116.854 119.996 -3.142 18522 8281 1 15 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.020 0.015 18522 8282 1 15 . 1 1 46 46 ALA C C 58 180.647 180.647 179.459 1.188 18522 8283 1 15 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.245 -0.050 18522 8284 1 15 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.108 0.772 18522 8285 1 15 . 1 1 46 46 ALA H H 58 8.938 8.938 7.795 1.143 18522 8286 1 15 . 1 1 47 47 ALA N N 59 123.250 123.250 121.049 2.201 18522 8287 1 15 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.044 -0.014 18522 8288 1 15 . 1 1 47 47 ALA C C 59 179.852 179.852 179.503 0.349 18522 8289 1 15 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.551 0.388 18522 8290 1 15 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.583 1.105 18522 8291 1 15 . 1 1 47 47 ALA H H 59 7.658 7.658 7.457 0.201 18522 8292 1 15 . 1 1 48 48 LEU N N 60 118.654 118.654 119.687 -1.033 18522 8293 1 15 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.123 -0.097 18522 8294 1 15 . 1 1 48 48 LEU C C 60 179.238 179.238 178.661 0.577 18522 8295 1 15 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.154 -0.893 18522 8296 1 15 . 1 1 48 48 LEU CB C 60 41.445 41.445 40.860 0.585 18522 8297 1 15 . 1 1 48 48 LEU H H 60 8.636 8.636 8.458 0.178 18522 8298 1 15 . 1 1 49 49 ASP N N 61 117.382 117.382 117.045 0.337 18522 8299 1 15 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.652 -0.231 18522 8300 1 15 . 1 1 49 49 ASP C C 61 177.668 177.668 178.104 -0.436 18522 8301 1 15 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.883 2.204 18522 8302 1 15 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.809 2.670 18522 8303 1 15 . 1 1 49 49 ASP H H 61 7.665 7.665 7.957 -0.292 18522 8304 1 15 . 1 1 50 50 GLY N N 62 103.228 103.228 106.654 -3.426 18522 8305 1 15 . 1 1 50 50 GLY C C 62 174.776 174.776 174.671 0.105 18522 8306 1 15 . 1 1 50 50 GLY CA C 62 46.533 46.533 45.582 0.951 18522 8307 1 15 . 1 1 50 50 GLY H H 62 7.216 7.216 8.386 -1.170 18522 8308 1 15 . 1 1 51 51 THR N N 63 117.230 117.230 114.301 2.929 18522 8309 1 15 . 1 1 51 51 THR HA H 63 3.907 3.907 3.858 0.049 18522 8310 1 15 . 1 1 51 51 THR C C 63 175.961 175.961 173.759 2.202 18522 8311 1 15 . 1 1 51 51 THR CA C 63 66.478 66.478 62.409 4.069 18522 8312 1 15 . 1 1 51 51 THR CB C 63 68.268 68.268 67.835 0.433 18522 8313 1 15 . 1 1 51 51 THR H H 63 8.319 8.319 7.612 0.707 18522 8314 1 15 . 1 1 52 52 VAL N N 64 113.826 113.826 115.135 -1.309 18522 8315 1 15 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.583 -0.633 18522 8316 1 15 . 1 1 52 52 VAL C C 64 173.883 173.883 174.915 -1.032 18522 8317 1 15 . 1 1 52 52 VAL CA C 64 60.708 60.708 59.908 0.799 18522 8318 1 15 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.397 2.682 18522 8319 1 15 . 1 1 52 52 VAL H H 64 8.147 8.147 7.439 0.708 18522 8320 1 15 . 1 1 53 53 ALA N N 65 123.521 123.521 124.444 -0.923 18522 8321 1 15 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.435 -0.021 18522 8322 1 15 . 1 1 53 53 ALA C C 65 175.247 175.247 176.942 -1.695 18522 8323 1 15 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.449 -0.009 18522 8324 1 15 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.541 2.725 18522 8325 1 15 . 1 1 53 53 ALA H H 65 8.633 8.633 7.298 1.335 18522 8326 1 15 . 1 1 54 54 ALA N N 66 120.818 120.818 122.283 -1.465 18522 8327 1 15 . 1 1 54 54 ALA HA H 66 3.720 3.720 4.068 -0.348 18522 8328 1 15 . 1 1 54 54 ALA C C 66 178.411 178.411 177.374 1.037 18522 8329 1 15 . 1 1 54 54 ALA CA C 66 53.016 53.016 52.962 0.054 18522 8330 1 15 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.506 0.334 18522 8331 1 15 . 1 1 54 54 ALA H H 66 8.451 8.451 8.584 -0.133 18522 8332 1 15 . 1 1 55 55 GLY N N 67 112.260 112.260 111.179 1.081 18522 8333 1 15 . 1 1 55 55 GLY C C 67 173.296 173.296 174.001 -0.705 18522 8334 1 15 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.770 0.255 18522 8335 1 15 . 1 1 55 55 GLY H H 67 9.600 9.600 7.932 1.668 18522 8336 1 15 . 1 1 56 56 ASP N N 68 121.293 121.293 122.547 -1.254 18522 8337 1 15 . 1 1 56 56 ASP HA H 68 4.861 4.861 5.136 -0.275 18522 8338 1 15 . 1 1 56 56 ASP C C 68 174.937 174.937 174.773 0.164 18522 8339 1 15 . 1 1 56 56 ASP CA C 68 55.641 55.641 53.273 2.369 18522 8340 1 15 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.889 -2.193 18522 8341 1 15 . 1 1 56 56 ASP H H 68 8.043 8.043 7.912 0.131 18522 8342 1 15 . 1 1 57 57 GLU N N 69 122.814 122.814 117.841 4.973 18522 8343 1 15 . 1 1 57 57 GLU C C 69 177.202 177.202 175.967 1.235 18522 8344 1 15 . 1 1 57 57 GLU CA C 69 54.472 54.472 54.559 -0.087 18522 8345 1 15 . 1 1 57 57 GLU CB C 69 32.800 32.800 33.507 -0.707 18522 8346 1 15 . 1 1 57 57 GLU H H 69 8.455 8.455 8.153 0.301 18522 8347 1 15 . 1 1 58 58 ILE N N 70 125.862 125.862 122.866 2.996 18522 8348 1 15 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.542 -0.016 18522 8349 1 15 . 1 1 58 58 ILE C C 70 175.035 175.035 175.329 -0.294 18522 8350 1 15 . 1 1 58 58 ILE CA C 70 60.918 60.918 59.200 1.718 18522 8351 1 15 . 1 1 58 58 ILE CB C 70 39.236 39.236 38.167 1.069 18522 8352 1 15 . 1 1 58 58 ILE H H 70 8.619 8.619 8.699 -0.080 18522 8353 1 15 . 1 1 59 59 THR N N 71 115.507 115.507 121.590 -6.083 18522 8354 1 15 . 1 1 59 59 THR HA H 71 4.513 4.513 3.965 0.548 18522 8355 1 15 . 1 1 59 59 THR C C 71 176.425 176.425 173.803 2.622 18522 8356 1 15 . 1 1 59 59 THR CA C 71 61.158 61.158 61.846 -0.688 18522 8357 1 15 . 1 1 59 59 THR CB C 71 69.604 69.604 69.137 0.467 18522 8358 1 15 . 1 1 59 59 THR H H 71 9.242 9.242 9.109 0.133 18522 8359 1 15 . 1 1 60 60 GLY N N 72 111.789 111.789 108.288 3.501 18522 8360 1 15 . 1 1 60 60 GLY C C 72 170.981 170.981 171.490 -0.509 18522 8361 1 15 . 1 1 60 60 GLY CA C 72 46.554 46.554 44.856 1.698 18522 8362 1 15 . 1 1 60 60 GLY H H 72 7.883 7.883 7.740 0.143 18522 8363 1 15 . 1 1 61 61 VAL N N 73 119.277 119.277 115.403 3.874 18522 8364 1 15 . 1 1 61 61 VAL C C 73 175.951 175.951 176.543 -0.592 18522 8365 1 15 . 1 1 61 61 VAL CA C 73 60.982 60.982 58.605 2.377 18522 8366 1 15 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.757 1.440 18522 8367 1 15 . 1 1 61 61 VAL H H 73 8.424 8.424 8.696 -0.272 18522 8368 1 15 . 1 1 62 62 ASN N N 74 127.731 127.731 123.073 4.658 18522 8369 1 15 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.216 0.304 18522 8370 1 15 . 1 1 62 62 ASN C C 74 174.878 174.878 175.480 -0.602 18522 8371 1 15 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.409 0.009 18522 8372 1 15 . 1 1 62 62 ASN CB C 74 36.655 36.655 38.317 -1.662 18522 8373 1 15 . 1 1 62 62 ASN H H 74 10.384 10.384 9.353 1.031 18522 8374 1 15 . 1 1 63 63 GLY N N 75 104.633 104.633 104.486 0.147 18522 8375 1 15 . 1 1 63 63 GLY C C 75 173.610 173.610 173.400 0.210 18522 8376 1 15 . 1 1 63 63 GLY CA C 75 45.261 45.261 45.120 0.141 18522 8377 1 15 . 1 1 63 63 GLY H H 75 8.926 8.926 8.463 0.463 18522 8378 1 15 . 1 1 64 64 ARG N N 76 120.451 120.451 120.643 -0.192 18522 8379 1 15 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.610 -0.109 18522 8380 1 15 . 1 1 64 64 ARG C C 76 175.085 175.085 175.627 -0.542 18522 8381 1 15 . 1 1 64 64 ARG CA C 76 54.252 54.252 53.665 0.587 18522 8382 1 15 . 1 1 64 64 ARG CB C 76 31.482 31.482 32.020 -0.538 18522 8383 1 15 . 1 1 64 64 ARG H H 76 7.753 7.753 8.087 -0.334 18522 8384 1 15 . 1 1 65 65 SER N N 77 116.586 116.586 118.531 -1.945 18522 8385 1 15 . 1 1 65 65 SER HA H 77 4.483 4.483 4.366 0.117 18522 8386 1 15 . 1 1 65 65 SER C C 77 176.953 176.953 175.702 1.251 18522 8387 1 15 . 1 1 65 65 SER CA C 77 58.292 58.292 59.044 -0.751 18522 8388 1 15 . 1 1 65 65 SER CB C 77 63.643 63.643 63.433 0.210 18522 8389 1 15 . 1 1 65 65 SER H H 77 8.555 8.555 8.780 -0.225 18522 8390 1 15 . 1 1 66 66 ILE N N 78 116.618 116.618 120.218 -3.600 18522 8391 1 15 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.109 0.311 18522 8392 1 15 . 1 1 66 66 ILE C C 78 175.072 175.072 177.047 -1.975 18522 8393 1 15 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.949 -2.827 18522 8394 1 15 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.455 -0.697 18522 8395 1 15 . 1 1 66 66 ILE H H 78 7.599 7.599 8.798 -1.199 18522 8396 1 15 . 1 1 67 67 LYS N N 79 123.287 123.287 121.798 1.489 18522 8397 1 15 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.102 -0.053 18522 8398 1 15 . 1 1 67 67 LYS C C 79 178.333 178.333 178.102 0.231 18522 8399 1 15 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.223 0.098 18522 8400 1 15 . 1 1 67 67 LYS CB C 79 31.635 31.635 31.891 -0.256 18522 8401 1 15 . 1 1 67 67 LYS H H 79 7.898 7.898 8.186 -0.288 18522 8402 1 15 . 1 1 68 68 GLY N N 80 114.933 114.933 107.886 7.047 18522 8403 1 15 . 1 1 68 68 GLY C C 80 174.385 174.385 175.007 -0.622 18522 8404 1 15 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.993 -0.475 18522 8405 1 15 . 1 1 68 68 GLY H H 80 8.999 8.999 8.095 0.904 18522 8406 1 15 . 1 1 69 69 LYS N N 81 119.403 119.403 119.886 -0.483 18522 8407 1 15 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.529 -0.486 18522 8408 1 15 . 1 1 69 69 LYS C C 81 177.064 177.064 175.588 1.476 18522 8409 1 15 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.380 -0.658 18522 8410 1 15 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.442 0.118 18522 8411 1 15 . 1 1 69 69 LYS H H 81 7.845 7.845 7.989 -0.144 18522 8412 1 15 . 1 1 70 70 THR N N 82 112.066 112.066 114.363 -2.297 18522 8413 1 15 . 1 1 70 70 THR HA H 82 4.666 4.666 4.584 0.082 18522 8414 1 15 . 1 1 70 70 THR C C 82 175.955 175.955 174.541 1.414 18522 8415 1 15 . 1 1 70 70 THR CA C 82 60.438 60.438 61.197 -0.759 18522 8416 1 15 . 1 1 70 70 THR CB C 82 71.629 71.629 72.207 -0.578 18522 8417 1 15 . 1 1 70 70 THR H H 82 9.153 9.153 7.910 1.243 18522 8418 1 15 . 1 1 71 71 LYS N N 83 118.730 118.730 124.931 -6.201 18522 8419 1 15 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.929 -0.059 18522 8420 1 15 . 1 1 71 71 LYS C C 83 177.464 177.464 178.403 -0.939 18522 8421 1 15 . 1 1 71 71 LYS CA C 83 60.357 60.357 60.048 0.309 18522 8422 1 15 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.802 -0.452 18522 8423 1 15 . 1 1 71 71 LYS H H 83 8.969 8.969 8.847 0.122 18522 8424 1 15 . 1 1 72 72 VAL N N 84 117.444 117.444 118.648 -1.204 18522 8425 1 15 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.750 -0.117 18522 8426 1 15 . 1 1 72 72 VAL C C 84 178.315 178.315 177.205 1.110 18522 8427 1 15 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.765 0.314 18522 8428 1 15 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.261 0.830 18522 8429 1 15 . 1 1 72 72 VAL H H 84 7.631 7.631 8.332 -0.701 18522 8430 1 15 . 1 1 73 73 GLU N N 85 120.890 120.890 119.364 1.526 18522 8431 1 15 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.246 -0.282 18522 8432 1 15 . 1 1 73 73 GLU C C 85 179.971 179.971 179.045 0.926 18522 8433 1 15 . 1 1 73 73 GLU CA C 85 59.316 59.316 58.793 0.523 18522 8434 1 15 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.917 0.438 18522 8435 1 15 . 1 1 73 73 GLU H H 85 7.617 7.617 8.080 -0.463 18522 8436 1 15 . 1 1 74 74 VAL N N 86 121.246 121.246 121.455 -0.209 18522 8437 1 15 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.815 -0.185 18522 8438 1 15 . 1 1 74 74 VAL C C 86 177.217 177.217 177.790 -0.573 18522 8439 1 15 . 1 1 74 74 VAL CA C 86 66.678 66.678 65.756 0.922 18522 8440 1 15 . 1 1 74 74 VAL CB C 86 31.307 31.307 31.403 -0.096 18522 8441 1 15 . 1 1 74 74 VAL H H 86 8.368 8.368 8.441 -0.073 18522 8442 1 15 . 1 1 75 75 ALA N N 87 122.148 122.148 121.233 0.915 18522 8443 1 15 . 1 1 75 75 ALA HA H 87 3.947 3.947 4.066 -0.119 18522 8444 1 15 . 1 1 75 75 ALA C C 87 179.545 179.545 178.927 0.618 18522 8445 1 15 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.282 0.569 18522 8446 1 15 . 1 1 75 75 ALA CB C 87 18.491 18.491 18.348 0.143 18522 8447 1 15 . 1 1 75 75 ALA H H 87 8.577 8.577 8.714 -0.137 18522 8448 1 15 . 1 1 76 76 LYS N N 88 117.733 117.733 119.800 -2.067 18522 8449 1 15 . 1 1 76 76 LYS HA H 88 4.051 4.051 3.987 0.064 18522 8450 1 15 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.494 -0.101 18522 8451 1 15 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.329 -0.271 18522 8452 1 15 . 1 1 76 76 LYS H H 88 7.854 7.854 7.371 0.483 18522 8453 1 15 . 1 1 77 77 MET N N 89 117.676 117.676 117.585 0.091 18522 8454 1 15 . 1 1 77 77 MET HA H 89 4.048 4.048 4.077 -0.029 18522 8455 1 15 . 1 1 77 77 MET C C 89 178.791 178.791 178.438 0.353 18522 8456 1 15 . 1 1 77 77 MET CA C 89 59.128 59.128 58.252 0.876 18522 8457 1 15 . 1 1 77 77 MET CB C 89 33.801 33.801 31.573 2.228 18522 8458 1 15 . 1 1 77 77 MET H H 89 7.759 7.759 8.379 -0.620 18522 8459 1 15 . 1 1 78 78 ILE N N 90 117.305 117.305 117.947 -0.642 18522 8460 1 15 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.696 -0.106 18522 8461 1 15 . 1 1 78 78 ILE C C 90 178.658 178.658 178.194 0.464 18522 8462 1 15 . 1 1 78 78 ILE CA C 90 65.482 65.482 64.557 0.925 18522 8463 1 15 . 1 1 78 78 ILE CB C 90 38.845 38.845 36.694 2.151 18522 8464 1 15 . 1 1 78 78 ILE H H 90 7.972 7.972 7.583 0.389 18522 8465 1 15 . 1 1 79 79 GLN N N 91 120.935 120.935 118.684 2.251 18522 8466 1 15 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.287 -0.289 18522 8467 1 15 . 1 1 79 79 GLN C C 91 178.274 178.274 178.259 0.015 18522 8468 1 15 . 1 1 79 79 GLN CA C 91 59.151 59.151 57.898 1.253 18522 8469 1 15 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.917 0.017 18522 8470 1 15 . 1 1 79 79 GLN H H 91 8.826 8.826 8.112 0.714 18522 8471 1 15 . 1 1 80 80 GLU N N 92 115.213 115.213 120.822 -5.609 18522 8472 1 15 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.080 -0.019 18522 8473 1 15 . 1 1 80 80 GLU C C 92 176.824 176.824 178.395 -1.571 18522 8474 1 15 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.033 -1.027 18522 8475 1 15 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.525 0.365 18522 8476 1 15 . 1 1 80 80 GLU H H 92 8.020 8.020 8.396 -0.376 18522 8477 1 15 . 1 1 81 81 VAL N N 93 119.047 119.047 115.695 3.352 18522 8478 1 15 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.841 0.089 18522 8479 1 15 . 1 1 81 81 VAL C C 93 176.016 176.016 176.725 -0.709 18522 8480 1 15 . 1 1 81 81 VAL CA C 93 63.153 63.153 64.400 -1.247 18522 8481 1 15 . 1 1 81 81 VAL CB C 93 32.154 32.154 31.881 0.273 18522 8482 1 15 . 1 1 81 81 VAL H H 93 7.073 7.073 7.462 -0.389 18522 8483 1 15 . 1 1 82 82 LYS N N 94 128.366 128.366 118.683 9.683 18522 8484 1 15 . 1 1 82 82 LYS C C 94 177.460 177.460 177.046 0.414 18522 8485 1 15 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.290 -1.537 18522 8486 1 15 . 1 1 82 82 LYS CB C 94 32.332 32.332 31.906 0.426 18522 8487 1 15 . 1 1 82 82 LYS H H 94 8.762 8.762 7.458 1.304 18522 8488 1 15 . 1 1 83 83 GLY N N 95 112.528 112.528 113.205 -0.677 18522 8489 1 15 . 1 1 83 83 GLY C C 95 173.468 173.468 173.023 0.445 18522 8490 1 15 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.422 0.821 18522 8491 1 15 . 1 1 83 83 GLY H H 95 8.673 8.673 8.917 -0.244 18522 8492 1 15 . 1 1 84 84 GLU N N 96 121.485 121.485 118.470 3.015 18522 8493 1 15 . 1 1 84 84 GLU HA H 96 4.749 4.749 4.940 -0.191 18522 8494 1 15 . 1 1 84 84 GLU C C 96 174.583 174.583 173.911 0.672 18522 8495 1 15 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.686 1.135 18522 8496 1 15 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.380 -1.970 18522 8497 1 15 . 1 1 84 84 GLU H H 96 8.297 8.297 7.201 1.096 18522 8498 1 15 . 1 1 85 85 VAL N N 97 120.501 120.501 111.895 8.606 18522 8499 1 15 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.728 -0.063 18522 8500 1 15 . 1 1 85 85 VAL C C 97 173.047 173.047 173.785 -0.738 18522 8501 1 15 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.095 0.019 18522 8502 1 15 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.326 -0.142 18522 8503 1 15 . 1 1 85 85 VAL H H 97 9.096 9.096 8.445 0.651 18522 8504 1 15 . 1 1 86 86 THR N N 98 125.019 125.019 116.493 8.526 18522 8505 1 15 . 1 1 86 86 THR HA H 98 4.076 4.076 4.983 -0.907 18522 8506 1 15 . 1 1 86 86 THR C C 98 173.807 173.807 174.190 -0.383 18522 8507 1 15 . 1 1 86 86 THR CA C 98 61.735 61.735 60.688 1.047 18522 8508 1 15 . 1 1 86 86 THR CB C 98 69.531 69.531 69.679 -0.148 18522 8509 1 15 . 1 1 86 86 THR H H 98 9.352 9.352 8.229 1.123 18522 8510 1 15 . 1 1 87 87 ILE N N 99 128.383 128.383 122.934 5.449 18522 8511 1 15 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.851 -0.190 18522 8512 1 15 . 1 1 87 87 ILE C C 99 174.614 174.614 174.352 0.262 18522 8513 1 15 . 1 1 87 87 ILE CA C 99 58.258 58.258 58.933 -0.675 18522 8514 1 15 . 1 1 87 87 ILE CB C 99 38.528 38.528 39.145 -0.617 18522 8515 1 15 . 1 1 87 87 ILE H H 99 9.329 9.329 8.304 1.025 18522 8516 1 15 . 1 1 88 88 HIS N N 100 128.279 128.279 125.419 2.860 18522 8517 1 15 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.308 -0.360 18522 8518 1 15 . 1 1 88 88 HIS C C 100 174.787 174.787 173.573 1.214 18522 8519 1 15 . 1 1 88 88 HIS CA C 100 54.620 54.620 55.349 -0.729 18522 8520 1 15 . 1 1 88 88 HIS H H 100 8.647 8.647 8.360 0.287 18522 8521 1 15 . 1 1 89 89 TYR N N 101 121.320 121.320 125.971 -4.651 18522 8522 1 15 . 1 1 89 89 TYR HA H 101 5.947 5.947 4.598 1.349 18522 8523 1 15 . 1 1 89 89 TYR C C 101 173.769 173.769 172.991 0.778 18522 8524 1 15 . 1 1 89 89 TYR CA C 101 55.669 55.669 58.844 -3.175 18522 8525 1 15 . 1 1 89 89 TYR CB C 101 42.195 42.195 40.959 1.236 18522 8526 1 15 . 1 1 89 89 TYR H H 101 8.414 8.414 9.376 -0.962 18522 8527 1 15 . 1 1 90 90 ASN N N 102 116.679 116.679 118.109 -1.430 18522 8528 1 15 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.407 -0.072 18522 8529 1 15 . 1 1 90 90 ASN C C 102 175.406 175.406 173.510 1.896 18522 8530 1 15 . 1 1 90 90 ASN CA C 102 51.961 51.961 52.603 -0.642 18522 8531 1 15 . 1 1 90 90 ASN CB C 102 41.800 41.800 41.708 0.092 18522 8532 1 15 . 1 1 90 90 ASN H H 102 9.282 9.282 7.959 1.323 18522 8533 1 15 . 1 1 91 91 LYS N N 103 124.129 124.129 119.924 4.205 18522 8534 1 15 . 1 1 91 91 LYS C C 103 176.678 176.678 175.481 1.197 18522 8535 1 15 . 1 1 91 91 LYS CA C 103 55.006 55.006 54.998 0.008 18522 8536 1 15 . 1 1 91 91 LYS H H 103 8.949 8.949 8.370 0.579 18522 8537 1 15 . 1 1 92 92 LEU N N 104 127.043 127.043 118.524 8.519 18522 8538 1 15 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.643 -0.218 18522 8539 1 15 . 1 1 92 92 LEU CA C 104 55.060 55.060 54.999 0.061 18522 8540 1 15 . 1 1 92 92 LEU CB C 104 42.559 42.559 42.209 0.350 18522 8541 1 15 . 1 1 92 92 LEU H H 104 9.150 9.150 9.454 -0.304 18522 8542 1 15 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.118 0.197 18522 8543 1 15 . 1 1 93 93 GLN C C 105 175.070 175.070 175.801 -0.731 18522 8544 1 15 . 1 1 93 93 GLN CA C 105 55.490 55.490 55.968 -0.478 18522 8545 1 15 . 1 1 93 93 GLN CB C 105 28.909 28.909 27.023 1.886 18522 8546 1 15 . 1 1 94 94 ALA N N 106 125.133 125.133 129.082 -3.949 18522 8547 1 15 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.230 0.136 18522 8548 1 15 . 1 1 94 94 ALA C C 106 176.392 176.392 176.308 0.084 18522 8549 1 15 . 1 1 94 94 ALA CA C 106 51.723 51.723 51.659 0.064 18522 8550 1 15 . 1 1 94 94 ALA CB C 106 20.185 20.185 20.272 -0.087 18522 8551 1 15 . 1 1 94 94 ALA H H 106 8.226 8.226 8.259 -0.033 18522 8552 1 15 . 1 1 95 95 ASP N N 107 122.013 122.013 118.184 3.829 18522 8553 1 15 . 1 1 95 95 ASP HA H 107 4.413 4.413 5.025 -0.612 18522 8554 1 15 . 1 1 95 95 ASP C C 107 175.019 175.019 175.621 -0.602 18522 8555 1 15 . 1 1 95 95 ASP CA C 107 55.642 55.642 51.887 3.755 18522 8556 1 15 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.145 -0.880 18522 8557 1 15 . 1 1 95 95 ASP H H 107 8.429 8.429 8.274 0.155 18522 8558 1 15 . 1 1 96 96 PRO HA H 108 4.207 4.207 3.965 0.242 18522 8559 1 15 . 1 1 96 96 PRO C C 108 178.840 178.840 178.327 0.513 18522 8560 1 15 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.561 -1.165 18522 8561 1 15 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.821 0.360 18522 8562 1 15 . 1 1 97 97 LYS N N 109 117.942 117.942 115.440 2.502 18522 8563 1 15 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.039 0.104 18522 8564 1 15 . 1 1 97 97 LYS C C 109 178.099 178.099 178.624 -0.525 18522 8565 1 15 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.154 -0.987 18522 8566 1 15 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.520 0.129 18522 8567 1 15 . 1 1 97 97 LYS H H 109 8.335 8.335 8.484 -0.149 18522 8568 1 15 . 1 1 98 98 GLN N N 110 119.159 119.159 117.442 1.717 18522 8569 1 15 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.307 -0.177 18522 8570 1 15 . 1 1 98 98 GLN C C 110 178.298 178.298 178.009 0.289 18522 8571 1 15 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.309 0.351 18522 8572 1 15 . 1 1 98 98 GLN CB C 110 28.720 28.720 29.335 -0.615 18522 8573 1 15 . 1 1 98 98 GLN H H 110 7.985 7.985 8.052 -0.067 18522 8574 1 15 . 1 1 99 99 LEU N N 111 120.490 120.490 122.438 -1.948 18522 8575 1 15 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.339 -0.462 18522 8576 1 15 . 1 1 99 99 LEU C C 111 177.729 177.729 178.363 -0.634 18522 8577 1 15 . 1 1 99 99 LEU CA C 111 57.049 57.049 56.986 0.063 18522 8578 1 15 . 1 1 99 99 LEU CB C 111 41.466 41.466 42.225 -0.759 18522 8579 1 15 . 1 1 99 99 LEU H H 111 7.994 7.994 8.261 -0.267 18522 8580 1 15 . 1 1 100 100 GLU N N 112 118.251 118.251 119.360 -1.109 18522 8581 1 15 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.232 -0.260 18522 8582 1 15 . 1 1 100 100 GLU C C 112 178.402 178.402 177.999 0.403 18522 8583 1 15 . 1 1 100 100 GLU CA C 112 59.056 59.056 58.938 0.118 18522 8584 1 15 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.169 0.563 18522 8585 1 15 . 1 1 100 100 GLU H H 112 7.760 7.760 8.224 -0.464 18522 8586 1 15 . 1 1 101 101 VAL N N 113 117.229 117.229 118.145 -0.916 18522 8587 1 15 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.809 -0.047 18522 8588 1 15 . 1 1 101 101 VAL C C 113 178.107 178.107 177.448 0.659 18522 8589 1 15 . 1 1 101 101 VAL CA C 113 64.791 64.791 66.071 -1.280 18522 8590 1 15 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.882 0.267 18522 8591 1 15 . 1 1 101 101 VAL H H 113 7.437 7.437 7.725 -0.288 18522 8592 1 15 . 1 1 102 102 LEU N N 114 122.124 122.124 119.045 3.079 18522 8593 1 15 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.187 -0.154 18522 8594 1 15 . 1 1 102 102 LEU C C 114 178.506 178.506 176.988 1.518 18522 8595 1 15 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.921 0.322 18522 8596 1 15 . 1 1 102 102 LEU CB C 114 42.028 42.028 42.406 -0.378 18522 8597 1 15 . 1 1 102 102 LEU H H 114 7.765 7.765 7.434 0.331 18522 8598 1 15 . 1 1 103 103 PHE N N 115 115.346 115.346 116.727 -1.381 18522 8599 1 15 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.820 -0.596 18522 8600 1 15 . 1 1 103 103 PHE C C 115 175.621 175.621 174.639 0.982 18522 8601 1 15 . 1 1 103 103 PHE CA C 115 57.537 57.537 54.915 2.622 18522 8602 1 15 . 1 1 103 103 PHE CB C 115 38.057 38.057 39.062 -1.004 18522 8603 1 15 . 1 1 103 103 PHE H H 115 7.805 7.805 7.352 0.453 18522 8604 1 15 . 1 1 104 104 GLN N N 116 119.021 119.021 117.180 1.841 18522 8605 1 15 . 1 1 104 104 GLN HA H 116 4.407 4.407 3.747 0.660 18522 8606 1 15 . 1 1 104 104 GLN C C 116 176.402 176.402 175.425 0.977 18522 8607 1 15 . 1 1 104 104 GLN CA C 116 55.521 55.521 58.379 -2.858 18522 8608 1 15 . 1 1 104 104 GLN CB C 116 29.170 29.170 27.228 1.942 18522 8609 1 15 . 1 1 104 104 GLN H H 116 7.974 7.974 7.961 0.013 18522 8610 1 15 . 1 1 105 105 GLY N N 117 108.868 108.868 105.428 3.440 18522 8611 1 15 . 1 1 105 105 GLY CA C 117 45.124 45.124 45.310 -0.186 18522 8612 1 15 . 1 1 105 105 GLY H H 117 8.195 8.195 7.757 0.438 18522 8613 1 15 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.494 -0.004 18522 8614 1 15 . 1 1 106 106 PRO C C 118 176.001 176.001 175.384 0.617 18522 8615 1 15 . 1 1 106 106 PRO CA C 118 63.523 63.523 63.009 0.514 18522 8616 1 15 . 1 1 106 106 PRO CB C 118 32.078 32.078 32.792 -0.714 18522 8617 1 15 . 1 1 107 107 GLN N N 119 126.950 126.950 122.640 4.310 18522 8618 1 15 . 1 1 107 107 GLN C C 119 181.211 181.211 175.007 6.204 18522 8619 1 15 . 1 1 107 107 GLN CA C 119 57.416 57.416 55.294 2.122 18522 8620 1 15 . 1 1 107 107 GLN H H 119 8.079 8.079 8.647 -0.568 18522 8621 1 15 . 1 1 111 111 ARG C C 123 174.608 174.608 175.954 -1.346 18522 8622 1 15 . 1 1 111 111 ARG CA C 123 55.099 55.099 55.502 -0.403 18522 8623 1 15 . 1 1 112 112 HIS N N 124 122.212 122.212 115.143 7.069 18522 8624 1 15 . 1 1 112 112 HIS HA H 124 4.718 4.718 3.969 0.749 18522 8625 1 15 . 1 1 112 112 HIS C C 124 176.040 176.040 173.336 2.704 18522 8626 1 15 . 1 1 112 112 HIS CA C 124 54.213 54.213 56.611 -2.398 18522 8627 1 15 . 1 1 112 112 HIS CB C 124 31.164 31.164 28.190 2.974 18522 8628 1 15 . 1 1 112 112 HIS H H 124 7.640 7.640 7.181 0.459 18522 8629 1 15 . 1 1 113 113 TRP C C 125 176.168 176.168 176.258 -0.090 18522 8630 1 15 . 1 1 114 114 LEU N N 126 121.893 121.893 119.994 1.899 18522 8631 1 15 . 1 1 114 114 LEU HA H 126 4.869 4.869 5.175 -0.306 18522 8632 1 15 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.153 0.998 18522 8633 1 15 . 1 1 114 114 LEU CB C 126 45.144 45.144 45.430 -0.286 18522 8634 1 15 . 1 1 114 114 LEU H H 126 8.606 8.606 9.066 -0.460 18522 8635 1 15 . 1 1 115 115 LYS N N 127 125.850 125.850 118.784 7.066 18522 8636 1 15 . 1 1 115 115 LYS HA H 127 4.203 4.203 5.075 -0.872 18522 8637 1 15 . 1 1 115 115 LYS C C 127 175.564 175.564 174.760 0.804 18522 8638 1 15 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.365 1.887 18522 8639 1 15 . 1 1 115 115 LYS CB C 127 33.406 33.406 35.237 -1.831 18522 8640 1 15 . 1 1 115 115 LYS H H 127 8.647 8.647 8.204 0.443 18522 8641 1 16 . 1 1 3 3 PRO C C 15 177.225 177.225 176.336 0.889 18522 8642 1 16 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.480 1.028 18522 8643 1 16 . 1 1 3 3 PRO CB C 15 32.090 32.090 30.324 1.766 18522 8644 1 16 . 1 1 4 4 GLY N N 16 108.829 108.829 110.311 -1.482 18522 8645 1 16 . 1 1 4 4 GLY C C 16 173.398 173.398 174.018 -0.620 18522 8646 1 16 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.798 0.330 18522 8647 1 16 . 1 1 4 4 GLY H H 16 8.489 8.489 8.136 0.353 18522 8648 1 16 . 1 1 5 5 ILE N N 17 121.763 121.763 122.189 -0.426 18522 8649 1 16 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.642 -0.088 18522 8650 1 16 . 1 1 5 5 ILE C C 17 174.332 174.332 174.923 -0.591 18522 8651 1 16 . 1 1 5 5 ILE CA C 17 58.245 58.245 57.493 0.752 18522 8652 1 16 . 1 1 5 5 ILE CB C 17 38.762 38.762 39.493 -0.731 18522 8653 1 16 . 1 1 5 5 ILE H H 17 8.014 8.014 7.729 0.285 18522 8654 1 16 . 1 1 6 6 PRO C C 18 176.437 176.437 176.376 0.061 18522 8655 1 16 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.629 -1.962 18522 8656 1 16 . 1 1 6 6 PRO CB C 18 32.469 32.469 32.103 0.366 18522 8657 1 16 . 1 1 7 7 VAL N N 19 123.849 123.849 118.246 5.603 18522 8658 1 16 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.406 0.144 18522 8659 1 16 . 1 1 7 7 VAL C C 19 174.453 174.453 173.516 0.937 18522 8660 1 16 . 1 1 7 7 VAL CA C 19 59.846 59.846 59.400 0.446 18522 8661 1 16 . 1 1 7 7 VAL CB C 19 33.510 33.510 34.351 -0.841 18522 8662 1 16 . 1 1 7 7 VAL H H 19 8.754 8.754 7.795 0.959 18522 8663 1 16 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.183 1.155 18522 8664 1 16 . 1 1 8 8 PRO C C 20 177.585 177.585 175.884 1.701 18522 8665 1 16 . 1 1 8 8 PRO CA C 20 62.406 62.406 62.631 -0.225 18522 8666 1 16 . 1 1 8 8 PRO CB C 20 32.891 32.891 31.295 1.596 18522 8667 1 16 . 1 1 9 9 GLY N N 21 108.426 108.426 111.359 -2.933 18522 8668 1 16 . 1 1 9 9 GLY C C 21 171.443 171.443 171.340 0.103 18522 8669 1 16 . 1 1 9 9 GLY CA C 21 44.581 44.581 43.558 1.023 18522 8670 1 16 . 1 1 9 9 GLY H H 21 8.258 8.258 7.924 0.334 18522 8671 1 16 . 1 1 10 10 LYS N N 22 117.372 117.372 118.691 -1.319 18522 8672 1 16 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.448 -1.409 18522 8673 1 16 . 1 1 10 10 LYS C C 22 174.463 174.463 175.044 -0.581 18522 8674 1 16 . 1 1 10 10 LYS CA C 22 55.263 55.263 55.018 0.245 18522 8675 1 16 . 1 1 10 10 LYS CB C 22 35.227 35.227 35.814 -0.587 18522 8676 1 16 . 1 1 10 10 LYS H H 22 8.175 8.175 7.744 0.431 18522 8677 1 16 . 1 1 11 11 VAL N N 23 120.387 120.387 117.033 3.354 18522 8678 1 16 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.684 0.024 18522 8679 1 16 . 1 1 11 11 VAL C C 23 171.873 171.873 173.605 -1.732 18522 8680 1 16 . 1 1 11 11 VAL CA C 23 59.866 59.866 59.813 0.053 18522 8681 1 16 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.291 -0.022 18522 8682 1 16 . 1 1 11 11 VAL H H 23 8.862 8.862 8.328 0.534 18522 8683 1 16 . 1 1 12 12 THR N N 24 125.797 125.797 118.817 6.980 18522 8684 1 16 . 1 1 12 12 THR HA H 24 5.121 5.121 5.155 -0.034 18522 8685 1 16 . 1 1 12 12 THR C C 24 173.407 173.407 173.854 -0.447 18522 8686 1 16 . 1 1 12 12 THR CA C 24 62.115 62.115 60.492 1.623 18522 8687 1 16 . 1 1 12 12 THR CB C 24 69.606 69.606 69.412 0.194 18522 8688 1 16 . 1 1 12 12 THR H H 24 8.859 8.859 8.364 0.495 18522 8689 1 16 . 1 1 13 13 LEU N N 25 127.960 127.960 126.878 1.082 18522 8690 1 16 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.852 -0.043 18522 8691 1 16 . 1 1 13 13 LEU C C 25 175.029 175.029 174.980 0.049 18522 8692 1 16 . 1 1 13 13 LEU CA C 25 52.623 52.623 53.124 -0.501 18522 8693 1 16 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.568 0.674 18522 8694 1 16 . 1 1 13 13 LEU H H 25 9.258 9.258 8.440 0.818 18522 8695 1 16 . 1 1 14 14 GLN N N 26 120.858 120.858 117.324 3.534 18522 8696 1 16 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.580 -0.098 18522 8697 1 16 . 1 1 14 14 GLN C C 26 174.515 174.515 174.783 -0.268 18522 8698 1 16 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.236 0.340 18522 8699 1 16 . 1 1 14 14 GLN CB C 26 29.516 29.516 32.115 -2.599 18522 8700 1 16 . 1 1 14 14 GLN H H 26 8.530 8.530 8.328 0.202 18522 8701 1 16 . 1 1 15 15 LYS N N 27 119.583 119.583 122.466 -2.883 18522 8702 1 16 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.324 -0.144 18522 8703 1 16 . 1 1 15 15 LYS C C 27 177.468 177.468 177.235 0.233 18522 8704 1 16 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.715 -0.759 18522 8705 1 16 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.528 1.571 18522 8706 1 16 . 1 1 15 15 LYS H H 27 8.099 8.099 8.173 -0.074 18522 8707 1 16 . 1 1 16 16 ASP N N 28 121.439 121.439 122.014 -0.575 18522 8708 1 16 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.630 -0.040 18522 8709 1 16 . 1 1 16 16 ASP C C 28 178.392 178.392 177.808 0.584 18522 8710 1 16 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.443 -1.016 18522 8711 1 16 . 1 1 16 16 ASP CB C 28 41.377 41.377 41.422 -0.045 18522 8712 1 16 . 1 1 16 16 ASP H H 28 8.888 8.888 8.572 0.316 18522 8713 1 16 . 1 1 17 17 ALA N N 29 119.578 119.578 120.417 -0.839 18522 8714 1 16 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.135 0.053 18522 8715 1 16 . 1 1 17 17 ALA C C 29 178.763 178.763 178.441 0.322 18522 8716 1 16 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.514 -0.080 18522 8717 1 16 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.672 -0.379 18522 8718 1 16 . 1 1 17 17 ALA H H 29 8.392 8.392 8.423 -0.031 18522 8719 1 16 . 1 1 18 18 GLN N N 30 117.564 117.564 116.459 1.105 18522 8720 1 16 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.299 0.100 18522 8721 1 16 . 1 1 18 18 GLN C C 30 175.168 175.168 175.560 -0.392 18522 8722 1 16 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.005 0.334 18522 8723 1 16 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.018 -0.429 18522 8724 1 16 . 1 1 18 18 GLN H H 30 8.353 8.353 8.443 -0.090 18522 8725 1 16 . 1 1 19 19 ASN N N 31 115.365 115.365 116.479 -1.114 18522 8726 1 16 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.399 -0.084 18522 8727 1 16 . 1 1 19 19 ASN C C 31 174.043 174.043 173.601 0.442 18522 8728 1 16 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.396 -0.093 18522 8729 1 16 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.641 -0.031 18522 8730 1 16 . 1 1 19 19 ASN H H 31 8.521 8.521 7.907 0.614 18522 8731 1 16 . 1 1 20 20 LEU N N 32 118.660 118.660 112.887 5.773 18522 8732 1 16 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.946 -0.046 18522 8733 1 16 . 1 1 20 20 LEU C C 32 178.117 178.117 176.299 1.818 18522 8734 1 16 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.122 0.835 18522 8735 1 16 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.598 1.176 18522 8736 1 16 . 1 1 20 20 LEU H H 32 8.155 8.155 8.349 -0.194 18522 8737 1 16 . 1 1 21 21 ILE N N 33 116.785 116.785 116.183 0.602 18522 8738 1 16 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.419 0.255 18522 8739 1 16 . 1 1 21 21 ILE C C 33 176.185 176.185 176.601 -0.416 18522 8740 1 16 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.327 1.275 18522 8741 1 16 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.269 -0.253 18522 8742 1 16 . 1 1 21 21 ILE H H 33 11.488 11.488 8.372 3.116 18522 8743 1 16 . 1 1 22 22 GLY N N 34 111.234 111.234 108.360 2.874 18522 8744 1 16 . 1 1 22 22 GLY C C 34 173.993 173.993 173.608 0.385 18522 8745 1 16 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.239 0.741 18522 8746 1 16 . 1 1 22 22 GLY H H 34 9.854 9.854 8.683 1.171 18522 8747 1 16 . 1 1 23 23 ILE N N 35 111.117 111.117 113.269 -2.152 18522 8748 1 16 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.533 0.002 18522 8749 1 16 . 1 1 23 23 ILE C C 35 175.033 175.033 174.245 0.788 18522 8750 1 16 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.822 0.593 18522 8751 1 16 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.943 -0.366 18522 8752 1 16 . 1 1 23 23 ILE H H 35 7.835 7.835 7.156 0.679 18522 8753 1 16 . 1 1 24 24 SER N N 36 114.908 114.908 116.820 -1.912 18522 8754 1 16 . 1 1 24 24 SER HA H 36 4.232 4.232 5.085 -0.853 18522 8755 1 16 . 1 1 24 24 SER C C 36 174.735 174.735 172.945 1.790 18522 8756 1 16 . 1 1 24 24 SER CA C 36 56.121 56.121 57.183 -1.062 18522 8757 1 16 . 1 1 24 24 SER CB C 36 66.097 66.097 65.759 0.338 18522 8758 1 16 . 1 1 24 24 SER H H 36 8.623 8.623 8.245 0.378 18522 8759 1 16 . 1 1 25 25 ILE N N 37 117.739 117.739 125.259 -7.520 18522 8760 1 16 . 1 1 25 25 ILE C C 37 174.340 174.340 175.671 -1.331 18522 8761 1 16 . 1 1 25 25 ILE CA C 37 59.123 59.123 59.203 -0.080 18522 8762 1 16 . 1 1 25 25 ILE CB C 37 41.637 41.637 40.146 1.491 18522 8763 1 16 . 1 1 25 25 ILE H H 37 9.130 9.130 8.732 0.398 18522 8764 1 16 . 1 1 26 26 GLY N N 38 108.069 108.069 111.075 -3.006 18522 8765 1 16 . 1 1 26 26 GLY CA C 38 44.112 44.112 44.277 -0.165 18522 8766 1 16 . 1 1 26 26 GLY H H 38 8.841 8.841 9.113 -0.272 18522 8767 1 16 . 1 1 27 27 GLY N N 39 109.016 109.016 106.547 2.469 18522 8768 1 16 . 1 1 27 27 GLY C C 39 173.956 173.956 174.312 -0.356 18522 8769 1 16 . 1 1 27 27 GLY H H 39 8.187 8.187 8.372 -0.185 18522 8770 1 16 . 1 1 28 28 GLY N N 40 111.783 111.783 109.801 1.982 18522 8771 1 16 . 1 1 28 28 GLY C C 40 174.255 174.255 173.988 0.267 18522 8772 1 16 . 1 1 28 28 GLY CA C 40 47.098 47.098 45.356 1.742 18522 8773 1 16 . 1 1 28 28 GLY H H 40 8.275 8.275 8.244 0.031 18522 8774 1 16 . 1 1 29 29 ALA N N 41 123.128 123.128 123.805 -0.677 18522 8775 1 16 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.179 0.380 18522 8776 1 16 . 1 1 29 29 ALA CA C 41 51.073 51.073 54.349 -3.276 18522 8777 1 16 . 1 1 29 29 ALA CB C 41 21.926 21.926 18.955 2.971 18522 8778 1 16 . 1 1 29 29 ALA H H 41 8.012 8.012 8.287 -0.275 18522 8779 1 16 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.431 0.118 18522 8780 1 16 . 1 1 31 31 TYR CA C 43 57.147 57.147 56.441 0.705 18522 8781 1 16 . 1 1 31 31 TYR CB C 43 37.495 37.495 38.193 -0.698 18522 8782 1 16 . 1 1 32 32 CYS N N 44 119.332 119.332 118.124 1.208 18522 8783 1 16 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.252 0.607 18522 8784 1 16 . 1 1 32 32 CYS CA C 44 57.406 57.406 58.024 -0.618 18522 8785 1 16 . 1 1 32 32 CYS CB C 44 27.673 27.673 26.923 0.750 18522 8786 1 16 . 1 1 32 32 CYS H H 44 7.504 7.504 7.960 -0.456 18522 8787 1 16 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.488 -0.075 18522 8788 1 16 . 1 1 33 33 PRO CA C 45 64.885 64.885 64.307 0.578 18522 8789 1 16 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.254 0.064 18522 8790 1 16 . 1 1 34 34 CYS N N 46 117.327 117.327 114.906 2.421 18522 8791 1 16 . 1 1 34 34 CYS C C 46 172.064 172.064 174.488 -2.424 18522 8792 1 16 . 1 1 34 34 CYS CA C 46 60.066 60.066 58.202 1.864 18522 8793 1 16 . 1 1 34 34 CYS CB C 46 28.715 28.715 31.505 -2.790 18522 8794 1 16 . 1 1 34 34 CYS H H 46 7.973 7.973 7.893 0.080 18522 8795 1 16 . 1 1 35 35 LEU N N 47 124.270 124.270 116.295 7.975 18522 8796 1 16 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.624 0.304 18522 8797 1 16 . 1 1 35 35 LEU C C 47 175.076 175.076 174.573 0.503 18522 8798 1 16 . 1 1 35 35 LEU CA C 47 53.278 53.278 56.121 -2.843 18522 8799 1 16 . 1 1 35 35 LEU CB C 47 44.321 44.321 42.013 2.308 18522 8800 1 16 . 1 1 35 35 LEU H H 47 8.629 8.629 9.216 -0.587 18522 8801 1 16 . 1 1 36 36 TYR N N 48 119.326 119.326 120.216 -0.890 18522 8802 1 16 . 1 1 36 36 TYR HA H 48 5.255 5.255 5.011 0.244 18522 8803 1 16 . 1 1 36 36 TYR C C 48 175.766 175.766 175.768 -0.002 18522 8804 1 16 . 1 1 36 36 TYR CA C 48 56.696 56.696 59.178 -2.482 18522 8805 1 16 . 1 1 36 36 TYR CB C 48 42.590 42.590 39.377 3.213 18522 8806 1 16 . 1 1 36 36 TYR H H 48 8.761 8.761 7.721 1.040 18522 8807 1 16 . 1 1 37 37 ILE N N 49 120.259 120.259 122.618 -2.359 18522 8808 1 16 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.729 -0.514 18522 8809 1 16 . 1 1 37 37 ILE C C 49 177.429 177.429 175.862 1.567 18522 8810 1 16 . 1 1 37 37 ILE CA C 49 62.456 62.456 59.460 2.996 18522 8811 1 16 . 1 1 37 37 ILE CB C 49 37.352 37.352 38.828 -1.476 18522 8812 1 16 . 1 1 37 37 ILE H H 49 8.959 8.959 8.806 0.153 18522 8813 1 16 . 1 1 38 38 VAL HA H 50 3.937 3.937 3.863 0.074 18522 8814 1 16 . 1 1 38 38 VAL C C 50 174.408 174.408 175.381 -0.973 18522 8815 1 16 . 1 1 38 38 VAL CA C 50 62.259 62.259 64.440 -2.181 18522 8816 1 16 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.342 -0.758 18522 8817 1 16 . 1 1 39 39 GLN N N 51 116.821 116.821 114.406 2.415 18522 8818 1 16 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.445 -0.342 18522 8819 1 16 . 1 1 39 39 GLN C C 51 172.856 172.856 172.889 -0.033 18522 8820 1 16 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.244 -0.117 18522 8821 1 16 . 1 1 39 39 GLN CB C 51 32.376 32.376 31.930 0.445 18522 8822 1 16 . 1 1 39 39 GLN H H 51 6.967 6.967 7.534 -0.567 18522 8823 1 16 . 1 1 40 40 VAL N N 52 123.482 123.482 119.376 4.106 18522 8824 1 16 . 1 1 40 40 VAL HA H 52 4.277 4.277 5.066 -0.789 18522 8825 1 16 . 1 1 40 40 VAL C C 52 176.198 176.198 174.104 2.094 18522 8826 1 16 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.549 2.025 18522 8827 1 16 . 1 1 40 40 VAL CB C 52 32.875 32.875 35.299 -2.424 18522 8828 1 16 . 1 1 40 40 VAL H H 52 8.447 8.447 8.149 0.298 18522 8829 1 16 . 1 1 41 41 PHE N N 53 128.296 128.296 122.307 5.989 18522 8830 1 16 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.813 -0.413 18522 8831 1 16 . 1 1 41 41 PHE C C 53 175.299 175.299 175.903 -0.604 18522 8832 1 16 . 1 1 41 41 PHE CA C 53 58.494 58.494 57.221 1.273 18522 8833 1 16 . 1 1 41 41 PHE CB C 53 39.561 39.561 40.709 -1.148 18522 8834 1 16 . 1 1 41 41 PHE H H 53 8.707 8.707 8.537 0.170 18522 8835 1 16 . 1 1 42 42 ASP N N 54 122.696 122.696 123.589 -0.893 18522 8836 1 16 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.340 -0.068 18522 8837 1 16 . 1 1 42 42 ASP C C 54 176.837 176.837 176.465 0.372 18522 8838 1 16 . 1 1 42 42 ASP CA C 54 55.291 55.291 56.650 -1.359 18522 8839 1 16 . 1 1 42 42 ASP CB C 54 41.093 41.093 40.989 0.103 18522 8840 1 16 . 1 1 42 42 ASP H H 54 8.901 8.901 9.024 -0.123 18522 8841 1 16 . 1 1 43 43 ASN N N 55 113.923 113.923 113.215 0.708 18522 8842 1 16 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.781 -0.523 18522 8843 1 16 . 1 1 43 43 ASN C C 55 173.714 173.714 175.289 -1.575 18522 8844 1 16 . 1 1 43 43 ASN CA C 55 54.958 54.958 52.988 1.970 18522 8845 1 16 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.512 -2.362 18522 8846 1 16 . 1 1 43 43 ASN H H 55 9.319 9.319 8.031 1.288 18522 8847 1 16 . 1 1 44 44 THR N N 56 108.020 108.020 115.294 -7.274 18522 8848 1 16 . 1 1 44 44 THR HA H 56 5.377 5.377 4.802 0.575 18522 8849 1 16 . 1 1 44 44 THR CA C 56 59.712 59.712 60.196 -0.484 18522 8850 1 16 . 1 1 44 44 THR CB C 56 69.529 69.529 70.019 -0.490 18522 8851 1 16 . 1 1 44 44 THR H H 56 7.149 7.149 8.005 -0.856 18522 8852 1 16 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.107 0.197 18522 8853 1 16 . 1 1 45 45 PRO C C 57 180.141 180.141 178.034 2.107 18522 8854 1 16 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.821 0.269 18522 8855 1 16 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.514 1.680 18522 8856 1 16 . 1 1 46 46 ALA N N 58 116.854 116.854 119.600 -2.746 18522 8857 1 16 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.018 0.017 18522 8858 1 16 . 1 1 46 46 ALA C C 58 180.647 180.647 179.590 1.057 18522 8859 1 16 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.210 -0.015 18522 8860 1 16 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.146 0.734 18522 8861 1 16 . 1 1 46 46 ALA H H 58 8.938 8.938 7.816 1.122 18522 8862 1 16 . 1 1 47 47 ALA N N 59 123.250 123.250 120.573 2.677 18522 8863 1 16 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.074 -0.044 18522 8864 1 16 . 1 1 47 47 ALA C C 59 179.852 179.852 179.912 -0.060 18522 8865 1 16 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.654 0.285 18522 8866 1 16 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.863 0.825 18522 8867 1 16 . 1 1 47 47 ALA H H 59 7.658 7.658 7.414 0.244 18522 8868 1 16 . 1 1 48 48 LEU N N 60 118.654 118.654 119.302 -0.648 18522 8869 1 16 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.176 -0.150 18522 8870 1 16 . 1 1 48 48 LEU C C 60 179.238 179.238 178.428 0.810 18522 8871 1 16 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.109 -0.848 18522 8872 1 16 . 1 1 48 48 LEU CB C 60 41.445 41.445 41.329 0.116 18522 8873 1 16 . 1 1 48 48 LEU H H 60 8.636 8.636 8.501 0.135 18522 8874 1 16 . 1 1 49 49 ASP N N 61 117.382 117.382 118.165 -0.783 18522 8875 1 16 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.606 -0.185 18522 8876 1 16 . 1 1 49 49 ASP C C 61 177.668 177.668 178.333 -0.665 18522 8877 1 16 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.551 2.536 18522 8878 1 16 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.260 3.218 18522 8879 1 16 . 1 1 49 49 ASP H H 61 7.665 7.665 7.936 -0.271 18522 8880 1 16 . 1 1 50 50 GLY N N 62 103.228 103.228 108.408 -5.180 18522 8881 1 16 . 1 1 50 50 GLY C C 62 174.776 174.776 174.813 -0.037 18522 8882 1 16 . 1 1 50 50 GLY CA C 62 46.533 46.533 46.262 0.271 18522 8883 1 16 . 1 1 50 50 GLY H H 62 7.216 7.216 7.784 -0.568 18522 8884 1 16 . 1 1 51 51 THR N N 63 117.230 117.230 112.594 4.636 18522 8885 1 16 . 1 1 51 51 THR HA H 63 3.907 3.907 3.901 0.006 18522 8886 1 16 . 1 1 51 51 THR C C 63 175.961 175.961 173.546 2.415 18522 8887 1 16 . 1 1 51 51 THR CA C 63 66.478 66.478 62.814 3.664 18522 8888 1 16 . 1 1 51 51 THR CB C 63 68.268 68.268 66.551 1.717 18522 8889 1 16 . 1 1 51 51 THR H H 63 8.319 8.319 7.723 0.596 18522 8890 1 16 . 1 1 52 52 VAL N N 64 113.826 113.826 114.373 -0.547 18522 8891 1 16 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.389 -0.439 18522 8892 1 16 . 1 1 52 52 VAL C C 64 173.883 173.883 174.582 -0.699 18522 8893 1 16 . 1 1 52 52 VAL CA C 64 60.708 60.708 59.818 0.890 18522 8894 1 16 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.927 2.152 18522 8895 1 16 . 1 1 52 52 VAL H H 64 8.147 8.147 7.461 0.686 18522 8896 1 16 . 1 1 53 53 ALA N N 65 123.521 123.521 123.553 -0.032 18522 8897 1 16 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.387 0.027 18522 8898 1 16 . 1 1 53 53 ALA C C 65 175.247 175.247 176.638 -1.391 18522 8899 1 16 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.988 -0.548 18522 8900 1 16 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.151 3.115 18522 8901 1 16 . 1 1 53 53 ALA H H 65 8.633 8.633 7.451 1.182 18522 8902 1 16 . 1 1 54 54 ALA N N 66 120.818 120.818 122.235 -1.417 18522 8903 1 16 . 1 1 54 54 ALA HA H 66 3.720 3.720 4.048 -0.328 18522 8904 1 16 . 1 1 54 54 ALA C C 66 178.411 178.411 178.648 -0.237 18522 8905 1 16 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.522 -0.506 18522 8906 1 16 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.484 0.356 18522 8907 1 16 . 1 1 54 54 ALA H H 66 8.451 8.451 8.239 0.212 18522 8908 1 16 . 1 1 55 55 GLY N N 67 112.260 112.260 113.430 -1.170 18522 8909 1 16 . 1 1 55 55 GLY C C 67 173.296 173.296 174.237 -0.941 18522 8910 1 16 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.802 0.223 18522 8911 1 16 . 1 1 55 55 GLY H H 67 9.600 9.600 9.320 0.280 18522 8912 1 16 . 1 1 56 56 ASP N N 68 121.293 121.293 123.207 -1.914 18522 8913 1 16 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.821 0.040 18522 8914 1 16 . 1 1 56 56 ASP C C 68 174.937 174.937 174.795 0.142 18522 8915 1 16 . 1 1 56 56 ASP CA C 68 55.641 55.641 55.499 0.142 18522 8916 1 16 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.314 -1.618 18522 8917 1 16 . 1 1 56 56 ASP H H 68 8.043 8.043 8.097 -0.054 18522 8918 1 16 . 1 1 57 57 GLU N N 69 122.814 122.814 119.802 3.012 18522 8919 1 16 . 1 1 57 57 GLU C C 69 177.202 177.202 176.000 1.202 18522 8920 1 16 . 1 1 57 57 GLU CA C 69 54.472 54.472 55.562 -1.090 18522 8921 1 16 . 1 1 57 57 GLU CB C 69 32.800 32.800 31.153 1.647 18522 8922 1 16 . 1 1 57 57 GLU H H 69 8.455 8.455 8.117 0.338 18522 8923 1 16 . 1 1 58 58 ILE N N 70 125.862 125.862 127.656 -1.794 18522 8924 1 16 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.534 -0.008 18522 8925 1 16 . 1 1 58 58 ILE C C 70 175.035 175.035 175.864 -0.829 18522 8926 1 16 . 1 1 58 58 ILE CA C 70 60.918 60.918 60.293 0.625 18522 8927 1 16 . 1 1 58 58 ILE CB C 70 39.236 39.236 37.642 1.594 18522 8928 1 16 . 1 1 58 58 ILE H H 70 8.619 8.619 9.192 -0.573 18522 8929 1 16 . 1 1 59 59 THR N N 71 115.507 115.507 122.224 -6.717 18522 8930 1 16 . 1 1 59 59 THR HA H 71 4.513 4.513 4.324 0.189 18522 8931 1 16 . 1 1 59 59 THR C C 71 176.425 176.425 174.596 1.829 18522 8932 1 16 . 1 1 59 59 THR CA C 71 61.158 61.158 62.989 -1.831 18522 8933 1 16 . 1 1 59 59 THR CB C 71 69.604 69.604 69.388 0.216 18522 8934 1 16 . 1 1 59 59 THR H H 71 9.242 9.242 8.387 0.855 18522 8935 1 16 . 1 1 60 60 GLY N N 72 111.789 111.789 108.408 3.381 18522 8936 1 16 . 1 1 60 60 GLY C C 72 170.981 170.981 171.665 -0.684 18522 8937 1 16 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.477 1.077 18522 8938 1 16 . 1 1 60 60 GLY H H 72 7.883 7.883 7.804 0.079 18522 8939 1 16 . 1 1 61 61 VAL N N 73 119.277 119.277 116.857 2.420 18522 8940 1 16 . 1 1 61 61 VAL C C 73 175.951 175.951 175.990 -0.039 18522 8941 1 16 . 1 1 61 61 VAL CA C 73 60.982 60.982 60.005 0.977 18522 8942 1 16 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.132 2.065 18522 8943 1 16 . 1 1 61 61 VAL H H 73 8.424 8.424 8.477 -0.053 18522 8944 1 16 . 1 1 62 62 ASN N N 74 127.731 127.731 123.968 3.763 18522 8945 1 16 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.337 0.183 18522 8946 1 16 . 1 1 62 62 ASN C C 74 174.878 174.878 175.317 -0.439 18522 8947 1 16 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.593 -0.175 18522 8948 1 16 . 1 1 62 62 ASN CB C 74 36.655 36.655 38.057 -1.402 18522 8949 1 16 . 1 1 62 62 ASN H H 74 10.384 10.384 9.423 0.961 18522 8950 1 16 . 1 1 63 63 GLY N N 75 104.633 104.633 104.041 0.592 18522 8951 1 16 . 1 1 63 63 GLY C C 75 173.610 173.610 173.200 0.410 18522 8952 1 16 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.912 0.349 18522 8953 1 16 . 1 1 63 63 GLY H H 75 8.926 8.926 8.596 0.330 18522 8954 1 16 . 1 1 64 64 ARG N N 76 120.451 120.451 121.360 -0.909 18522 8955 1 16 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.575 -0.074 18522 8956 1 16 . 1 1 64 64 ARG C C 76 175.085 175.085 175.529 -0.444 18522 8957 1 16 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.167 0.085 18522 8958 1 16 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.526 -0.044 18522 8959 1 16 . 1 1 64 64 ARG H H 76 7.753 7.753 8.094 -0.341 18522 8960 1 16 . 1 1 65 65 SER N N 77 116.586 116.586 118.937 -2.351 18522 8961 1 16 . 1 1 65 65 SER HA H 77 4.483 4.483 4.432 0.051 18522 8962 1 16 . 1 1 65 65 SER C C 77 176.953 176.953 176.363 0.590 18522 8963 1 16 . 1 1 65 65 SER CA C 77 58.292 58.292 59.908 -1.616 18522 8964 1 16 . 1 1 65 65 SER CB C 77 63.643 63.643 63.533 0.110 18522 8965 1 16 . 1 1 65 65 SER H H 77 8.555 8.555 8.840 -0.285 18522 8966 1 16 . 1 1 66 66 ILE N N 78 116.618 116.618 122.333 -5.715 18522 8967 1 16 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.184 0.236 18522 8968 1 16 . 1 1 66 66 ILE C C 78 175.072 175.072 176.875 -1.803 18522 8969 1 16 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.596 -2.474 18522 8970 1 16 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.142 -0.384 18522 8971 1 16 . 1 1 66 66 ILE H H 78 7.599 7.599 8.490 -0.891 18522 8972 1 16 . 1 1 67 67 LYS N N 79 123.287 123.287 122.222 1.065 18522 8973 1 16 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.089 -0.040 18522 8974 1 16 . 1 1 67 67 LYS C C 79 178.333 178.333 177.992 0.341 18522 8975 1 16 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.308 0.013 18522 8976 1 16 . 1 1 67 67 LYS CB C 79 31.635 31.635 31.859 -0.224 18522 8977 1 16 . 1 1 67 67 LYS H H 79 7.898 7.898 8.275 -0.377 18522 8978 1 16 . 1 1 68 68 GLY N N 80 114.933 114.933 107.306 7.627 18522 8979 1 16 . 1 1 68 68 GLY C C 80 174.385 174.385 174.577 -0.192 18522 8980 1 16 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.720 -0.202 18522 8981 1 16 . 1 1 68 68 GLY H H 80 8.999 8.999 8.005 0.994 18522 8982 1 16 . 1 1 69 69 LYS N N 81 119.403 119.403 118.461 0.942 18522 8983 1 16 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.636 -0.593 18522 8984 1 16 . 1 1 69 69 LYS C C 81 177.064 177.064 174.692 2.372 18522 8985 1 16 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.190 -0.468 18522 8986 1 16 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.188 0.372 18522 8987 1 16 . 1 1 69 69 LYS H H 81 7.845 7.845 8.026 -0.181 18522 8988 1 16 . 1 1 70 70 THR N N 82 112.066 112.066 108.849 3.217 18522 8989 1 16 . 1 1 70 70 THR HA H 82 4.666 4.666 4.796 -0.130 18522 8990 1 16 . 1 1 70 70 THR C C 82 175.955 175.955 175.713 0.242 18522 8991 1 16 . 1 1 70 70 THR CA C 82 60.438 60.438 60.523 -0.085 18522 8992 1 16 . 1 1 70 70 THR CB C 82 71.629 71.629 72.961 -1.332 18522 8993 1 16 . 1 1 70 70 THR H H 82 9.153 9.153 7.792 1.361 18522 8994 1 16 . 1 1 71 71 LYS N N 83 118.730 118.730 122.057 -3.327 18522 8995 1 16 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.939 -0.069 18522 8996 1 16 . 1 1 71 71 LYS C C 83 177.464 177.464 178.469 -1.005 18522 8997 1 16 . 1 1 71 71 LYS CA C 83 60.357 60.357 60.058 0.299 18522 8998 1 16 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.439 -0.090 18522 8999 1 16 . 1 1 71 71 LYS H H 83 8.969 8.969 8.207 0.762 18522 9000 1 16 . 1 1 72 72 VAL N N 84 117.444 117.444 118.938 -1.494 18522 9001 1 16 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.653 -0.020 18522 9002 1 16 . 1 1 72 72 VAL C C 84 178.315 178.315 177.615 0.700 18522 9003 1 16 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.825 0.254 18522 9004 1 16 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.584 0.507 18522 9005 1 16 . 1 1 72 72 VAL H H 84 7.631 7.631 8.343 -0.712 18522 9006 1 16 . 1 1 73 73 GLU N N 85 120.890 120.890 119.129 1.761 18522 9007 1 16 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.116 -0.152 18522 9008 1 16 . 1 1 73 73 GLU C C 85 179.971 179.971 178.851 1.120 18522 9009 1 16 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.295 0.021 18522 9010 1 16 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.686 0.669 18522 9011 1 16 . 1 1 73 73 GLU H H 85 7.617 7.617 7.595 0.022 18522 9012 1 16 . 1 1 74 74 VAL N N 86 121.246 121.246 118.777 2.469 18522 9013 1 16 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.787 -0.157 18522 9014 1 16 . 1 1 74 74 VAL C C 86 177.217 177.217 177.580 -0.363 18522 9015 1 16 . 1 1 74 74 VAL CA C 86 66.678 66.678 65.867 0.811 18522 9016 1 16 . 1 1 74 74 VAL CB C 86 31.307 31.307 30.681 0.626 18522 9017 1 16 . 1 1 74 74 VAL H H 86 8.368 8.368 8.315 0.053 18522 9018 1 16 . 1 1 75 75 ALA N N 87 122.148 122.148 122.630 -0.482 18522 9019 1 16 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.917 0.030 18522 9020 1 16 . 1 1 75 75 ALA C C 87 179.545 179.545 179.248 0.297 18522 9021 1 16 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.485 0.366 18522 9022 1 16 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.883 0.608 18522 9023 1 16 . 1 1 75 75 ALA H H 87 8.577 8.577 8.453 0.124 18522 9024 1 16 . 1 1 76 76 LYS N N 88 117.733 117.733 119.126 -1.393 18522 9025 1 16 . 1 1 76 76 LYS HA H 88 4.051 4.051 3.991 0.060 18522 9026 1 16 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.367 0.026 18522 9027 1 16 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.263 -0.205 18522 9028 1 16 . 1 1 76 76 LYS H H 88 7.854 7.854 7.387 0.467 18522 9029 1 16 . 1 1 77 77 MET N N 89 117.676 117.676 118.233 -0.557 18522 9030 1 16 . 1 1 77 77 MET HA H 89 4.048 4.048 4.045 0.003 18522 9031 1 16 . 1 1 77 77 MET C C 89 178.791 178.791 178.935 -0.144 18522 9032 1 16 . 1 1 77 77 MET CA C 89 59.128 59.128 59.614 -0.486 18522 9033 1 16 . 1 1 77 77 MET CB C 89 33.801 33.801 32.591 1.210 18522 9034 1 16 . 1 1 77 77 MET H H 89 7.759 7.759 8.103 -0.344 18522 9035 1 16 . 1 1 78 78 ILE N N 90 117.305 117.305 119.793 -2.488 18522 9036 1 16 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.634 -0.044 18522 9037 1 16 . 1 1 78 78 ILE C C 90 178.658 178.658 178.444 0.214 18522 9038 1 16 . 1 1 78 78 ILE CA C 90 65.482 65.482 65.287 0.195 18522 9039 1 16 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.824 1.021 18522 9040 1 16 . 1 1 78 78 ILE H H 90 7.972 7.972 8.334 -0.362 18522 9041 1 16 . 1 1 79 79 GLN N N 91 120.935 120.935 119.142 1.793 18522 9042 1 16 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.001 -0.003 18522 9043 1 16 . 1 1 79 79 GLN C C 91 178.274 178.274 178.492 -0.218 18522 9044 1 16 . 1 1 79 79 GLN CA C 91 59.151 59.151 58.534 0.617 18522 9045 1 16 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.791 0.143 18522 9046 1 16 . 1 1 79 79 GLN H H 91 8.826 8.826 8.337 0.489 18522 9047 1 16 . 1 1 80 80 GLU N N 92 115.213 115.213 120.398 -5.185 18522 9048 1 16 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.143 -0.082 18522 9049 1 16 . 1 1 80 80 GLU C C 92 176.824 176.824 178.996 -2.172 18522 9050 1 16 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.224 -1.218 18522 9051 1 16 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.873 0.016 18522 9052 1 16 . 1 1 80 80 GLU H H 92 8.020 8.020 8.507 -0.487 18522 9053 1 16 . 1 1 81 81 VAL N N 93 119.047 119.047 117.058 1.989 18522 9054 1 16 . 1 1 81 81 VAL HA H 93 3.930 3.930 4.142 -0.212 18522 9055 1 16 . 1 1 81 81 VAL C C 93 176.016 176.016 174.908 1.108 18522 9056 1 16 . 1 1 81 81 VAL CA C 93 63.153 63.153 61.121 2.032 18522 9057 1 16 . 1 1 81 81 VAL CB C 93 32.154 32.154 29.259 2.895 18522 9058 1 16 . 1 1 81 81 VAL H H 93 7.073 7.073 7.559 -0.486 18522 9059 1 16 . 1 1 82 82 LYS N N 94 128.366 128.366 119.846 8.520 18522 9060 1 16 . 1 1 82 82 LYS C C 94 177.460 177.460 177.610 -0.150 18522 9061 1 16 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.551 -1.798 18522 9062 1 16 . 1 1 82 82 LYS CB C 94 32.332 32.332 32.164 0.168 18522 9063 1 16 . 1 1 82 82 LYS H H 94 8.762 8.762 7.871 0.891 18522 9064 1 16 . 1 1 83 83 GLY N N 95 112.528 112.528 112.580 -0.052 18522 9065 1 16 . 1 1 83 83 GLY C C 95 173.468 173.468 173.700 -0.232 18522 9066 1 16 . 1 1 83 83 GLY CA C 95 46.243 46.243 44.878 1.365 18522 9067 1 16 . 1 1 83 83 GLY H H 95 8.673 8.673 8.965 -0.292 18522 9068 1 16 . 1 1 84 84 GLU N N 96 121.485 121.485 119.555 1.930 18522 9069 1 16 . 1 1 84 84 GLU HA H 96 4.749 4.749 5.077 -0.328 18522 9070 1 16 . 1 1 84 84 GLU C C 96 174.583 174.583 174.167 0.416 18522 9071 1 16 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.776 1.045 18522 9072 1 16 . 1 1 84 84 GLU CB C 96 31.410 31.410 34.002 -2.592 18522 9073 1 16 . 1 1 84 84 GLU H H 96 8.297 8.297 7.744 0.553 18522 9074 1 16 . 1 1 85 85 VAL N N 97 120.501 120.501 111.913 8.588 18522 9075 1 16 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.648 0.017 18522 9076 1 16 . 1 1 85 85 VAL C C 97 173.047 173.047 173.879 -0.832 18522 9077 1 16 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.355 -0.241 18522 9078 1 16 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.248 -0.064 18522 9079 1 16 . 1 1 85 85 VAL H H 97 9.096 9.096 8.482 0.614 18522 9080 1 16 . 1 1 86 86 THR N N 98 125.019 125.019 120.024 4.995 18522 9081 1 16 . 1 1 86 86 THR HA H 98 4.076 4.076 5.184 -1.108 18522 9082 1 16 . 1 1 86 86 THR C C 98 173.807 173.807 173.573 0.234 18522 9083 1 16 . 1 1 86 86 THR CA C 98 61.735 61.735 61.840 -0.105 18522 9084 1 16 . 1 1 86 86 THR CB C 98 69.531 69.531 70.444 -0.913 18522 9085 1 16 . 1 1 86 86 THR H H 98 9.352 9.352 8.281 1.071 18522 9086 1 16 . 1 1 87 87 ILE N N 99 128.383 128.383 123.943 4.440 18522 9087 1 16 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.725 -0.064 18522 9088 1 16 . 1 1 87 87 ILE C C 99 174.614 174.614 174.162 0.452 18522 9089 1 16 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.173 -0.915 18522 9090 1 16 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.976 -0.448 18522 9091 1 16 . 1 1 87 87 ILE H H 99 9.329 9.329 9.074 0.255 18522 9092 1 16 . 1 1 88 88 HIS N N 100 128.279 128.279 128.024 0.255 18522 9093 1 16 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.400 -0.452 18522 9094 1 16 . 1 1 88 88 HIS C C 100 174.787 174.787 174.521 0.266 18522 9095 1 16 . 1 1 88 88 HIS CA C 100 54.620 54.620 53.560 1.060 18522 9096 1 16 . 1 1 88 88 HIS H H 100 8.647 8.647 8.962 -0.315 18522 9097 1 16 . 1 1 89 89 TYR N N 101 121.320 121.320 124.011 -2.691 18522 9098 1 16 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.336 0.611 18522 9099 1 16 . 1 1 89 89 TYR C C 101 173.769 173.769 173.501 0.268 18522 9100 1 16 . 1 1 89 89 TYR CA C 101 55.669 55.669 54.588 1.081 18522 9101 1 16 . 1 1 89 89 TYR CB C 101 42.195 42.195 40.954 1.241 18522 9102 1 16 . 1 1 89 89 TYR H H 101 8.414 8.414 8.415 -0.001 18522 9103 1 16 . 1 1 90 90 ASN N N 102 116.679 116.679 116.481 0.198 18522 9104 1 16 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.145 0.190 18522 9105 1 16 . 1 1 90 90 ASN C C 102 175.406 175.406 174.710 0.696 18522 9106 1 16 . 1 1 90 90 ASN CA C 102 51.961 51.961 51.521 0.440 18522 9107 1 16 . 1 1 90 90 ASN CB C 102 41.800 41.800 41.994 -0.194 18522 9108 1 16 . 1 1 90 90 ASN H H 102 9.282 9.282 8.739 0.543 18522 9109 1 16 . 1 1 91 91 LYS N N 103 124.129 124.129 119.737 4.392 18522 9110 1 16 . 1 1 91 91 LYS C C 103 176.678 176.678 177.517 -0.839 18522 9111 1 16 . 1 1 91 91 LYS CA C 103 55.006 55.006 56.108 -1.102 18522 9112 1 16 . 1 1 91 91 LYS H H 103 8.949 8.949 8.596 0.353 18522 9113 1 16 . 1 1 92 92 LEU N N 104 127.043 127.043 118.493 8.550 18522 9114 1 16 . 1 1 92 92 LEU HA H 104 4.425 4.425 3.926 0.499 18522 9115 1 16 . 1 1 92 92 LEU CA C 104 55.060 55.060 57.323 -2.263 18522 9116 1 16 . 1 1 92 92 LEU CB C 104 42.559 42.559 40.426 2.133 18522 9117 1 16 . 1 1 92 92 LEU H H 104 9.150 9.150 8.034 1.116 18522 9118 1 16 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.528 -0.213 18522 9119 1 16 . 1 1 93 93 GLN C C 105 175.070 175.070 174.045 1.025 18522 9120 1 16 . 1 1 93 93 GLN CA C 105 55.490 55.490 55.709 -0.219 18522 9121 1 16 . 1 1 93 93 GLN CB C 105 28.909 28.909 29.654 -0.745 18522 9122 1 16 . 1 1 94 94 ALA N N 106 125.133 125.133 125.388 -0.255 18522 9123 1 16 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.840 -0.474 18522 9124 1 16 . 1 1 94 94 ALA C C 106 176.392 176.392 174.687 1.705 18522 9125 1 16 . 1 1 94 94 ALA CA C 106 51.723 51.723 51.752 -0.028 18522 9126 1 16 . 1 1 94 94 ALA CB C 106 20.185 20.185 22.593 -2.408 18522 9127 1 16 . 1 1 94 94 ALA H H 106 8.226 8.226 7.951 0.275 18522 9128 1 16 . 1 1 95 95 ASP N N 107 122.013 122.013 118.114 3.899 18522 9129 1 16 . 1 1 95 95 ASP HA H 107 4.413 4.413 5.030 -0.617 18522 9130 1 16 . 1 1 95 95 ASP C C 107 175.019 175.019 174.123 0.896 18522 9131 1 16 . 1 1 95 95 ASP CA C 107 55.642 55.642 52.986 2.655 18522 9132 1 16 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.591 -1.325 18522 9133 1 16 . 1 1 95 95 ASP H H 107 8.429 8.429 8.269 0.160 18522 9134 1 16 . 1 1 96 96 PRO HA H 108 4.207 4.207 3.750 0.457 18522 9135 1 16 . 1 1 96 96 PRO C C 108 178.840 178.840 178.004 0.836 18522 9136 1 16 . 1 1 96 96 PRO CA C 108 65.396 65.396 65.703 -0.307 18522 9137 1 16 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.704 0.477 18522 9138 1 16 . 1 1 97 97 LYS N N 109 117.942 117.942 115.422 2.520 18522 9139 1 16 . 1 1 97 97 LYS HA H 109 4.143 4.143 3.977 0.166 18522 9140 1 16 . 1 1 97 97 LYS C C 109 178.099 178.099 179.208 -1.109 18522 9141 1 16 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.051 -0.884 18522 9142 1 16 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.593 0.056 18522 9143 1 16 . 1 1 97 97 LYS H H 109 8.335 8.335 8.718 -0.383 18522 9144 1 16 . 1 1 98 98 GLN N N 110 119.159 119.159 118.290 0.869 18522 9145 1 16 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.261 -0.131 18522 9146 1 16 . 1 1 98 98 GLN C C 110 178.298 178.298 178.346 -0.048 18522 9147 1 16 . 1 1 98 98 GLN CA C 110 57.660 57.660 56.982 0.678 18522 9148 1 16 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.632 0.088 18522 9149 1 16 . 1 1 98 98 GLN H H 110 7.985 7.985 7.947 0.038 18522 9150 1 16 . 1 1 99 99 LEU N N 111 120.490 120.490 122.424 -1.934 18522 9151 1 16 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.184 -0.307 18522 9152 1 16 . 1 1 99 99 LEU C C 111 177.729 177.729 178.335 -0.606 18522 9153 1 16 . 1 1 99 99 LEU CA C 111 57.049 57.049 57.817 -0.768 18522 9154 1 16 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.516 -0.050 18522 9155 1 16 . 1 1 99 99 LEU H H 111 7.994 7.994 8.429 -0.435 18522 9156 1 16 . 1 1 100 100 GLU N N 112 118.251 118.251 117.380 0.871 18522 9157 1 16 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.056 -0.084 18522 9158 1 16 . 1 1 100 100 GLU C C 112 178.402 178.402 178.029 0.373 18522 9159 1 16 . 1 1 100 100 GLU CA C 112 59.056 59.056 58.801 0.255 18522 9160 1 16 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.007 0.725 18522 9161 1 16 . 1 1 100 100 GLU H H 112 7.760 7.760 7.738 0.022 18522 9162 1 16 . 1 1 101 101 VAL N N 113 117.229 117.229 118.468 -1.239 18522 9163 1 16 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.840 -0.078 18522 9164 1 16 . 1 1 101 101 VAL C C 113 178.107 178.107 178.153 -0.046 18522 9165 1 16 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.046 -0.255 18522 9166 1 16 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.921 0.228 18522 9167 1 16 . 1 1 101 101 VAL H H 113 7.437 7.437 7.355 0.082 18522 9168 1 16 . 1 1 102 102 LEU N N 114 122.124 122.124 121.025 1.099 18522 9169 1 16 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.162 -0.129 18522 9170 1 16 . 1 1 102 102 LEU C C 114 178.506 178.506 177.439 1.067 18522 9171 1 16 . 1 1 102 102 LEU CA C 114 57.243 57.243 57.375 -0.132 18522 9172 1 16 . 1 1 102 102 LEU CB C 114 42.028 42.028 42.704 -0.676 18522 9173 1 16 . 1 1 102 102 LEU H H 114 7.765 7.765 7.574 0.191 18522 9174 1 16 . 1 1 103 103 PHE N N 115 115.346 115.346 118.674 -3.328 18522 9175 1 16 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.817 -0.593 18522 9176 1 16 . 1 1 103 103 PHE C C 115 175.621 175.621 175.059 0.562 18522 9177 1 16 . 1 1 103 103 PHE CA C 115 57.537 57.537 56.508 1.029 18522 9178 1 16 . 1 1 103 103 PHE CB C 115 38.057 38.057 38.809 -0.752 18522 9179 1 16 . 1 1 103 103 PHE H H 115 7.805 7.805 7.728 0.077 18522 9180 1 16 . 1 1 104 104 GLN N N 116 119.021 119.021 119.579 -0.558 18522 9181 1 16 . 1 1 104 104 GLN HA H 116 4.407 4.407 3.820 0.587 18522 9182 1 16 . 1 1 104 104 GLN C C 116 176.402 176.402 175.302 1.100 18522 9183 1 16 . 1 1 104 104 GLN CA C 116 55.521 55.521 58.617 -3.095 18522 9184 1 16 . 1 1 104 104 GLN CB C 116 29.170 29.170 27.303 1.867 18522 9185 1 16 . 1 1 104 104 GLN H H 116 7.974 7.974 7.853 0.121 18522 9186 1 16 . 1 1 105 105 GLY N N 117 108.868 108.868 105.178 3.690 18522 9187 1 16 . 1 1 105 105 GLY CA C 117 45.124 45.124 45.688 -0.563 18522 9188 1 16 . 1 1 105 105 GLY H H 117 8.195 8.195 8.161 0.034 18522 9189 1 16 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.440 0.050 18522 9190 1 16 . 1 1 106 106 PRO C C 118 176.001 176.001 176.513 -0.512 18522 9191 1 16 . 1 1 106 106 PRO CA C 118 63.523 63.523 63.461 0.062 18522 9192 1 16 . 1 1 106 106 PRO CB C 118 32.078 32.078 31.748 0.330 18522 9193 1 16 . 1 1 107 107 GLN N N 119 126.950 126.950 123.789 3.161 18522 9194 1 16 . 1 1 107 107 GLN C C 119 181.211 181.211 174.717 6.494 18522 9195 1 16 . 1 1 107 107 GLN CA C 119 57.416 57.416 55.388 2.028 18522 9196 1 16 . 1 1 107 107 GLN H H 119 8.079 8.079 8.297 -0.218 18522 9197 1 16 . 1 1 111 111 ARG C C 123 174.608 174.608 174.907 -0.299 18522 9198 1 16 . 1 1 111 111 ARG CA C 123 55.099 55.099 56.178 -1.079 18522 9199 1 16 . 1 1 112 112 HIS N N 124 122.212 122.212 120.171 2.041 18522 9200 1 16 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.861 -0.143 18522 9201 1 16 . 1 1 112 112 HIS C C 124 176.040 176.040 174.141 1.899 18522 9202 1 16 . 1 1 112 112 HIS CA C 124 54.213 54.213 54.630 -0.417 18522 9203 1 16 . 1 1 112 112 HIS CB C 124 31.164 31.164 28.255 2.909 18522 9204 1 16 . 1 1 112 112 HIS H H 124 7.640 7.640 7.974 -0.334 18522 9205 1 16 . 1 1 113 113 TRP C C 125 176.168 176.168 173.966 2.202 18522 9206 1 16 . 1 1 114 114 LEU N N 126 121.893 121.893 120.619 1.274 18522 9207 1 16 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.584 0.285 18522 9208 1 16 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.181 0.970 18522 9209 1 16 . 1 1 114 114 LEU CB C 126 45.144 45.144 45.197 -0.053 18522 9210 1 16 . 1 1 114 114 LEU H H 126 8.606 8.606 8.271 0.335 18522 9211 1 16 . 1 1 115 115 LYS N N 127 125.850 125.850 120.554 5.296 18522 9212 1 16 . 1 1 115 115 LYS HA H 127 4.203 4.203 5.180 -0.977 18522 9213 1 16 . 1 1 115 115 LYS C C 127 175.564 175.564 174.499 1.065 18522 9214 1 16 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.283 1.969 18522 9215 1 16 . 1 1 115 115 LYS CB C 127 33.406 33.406 34.813 -1.407 18522 9216 1 16 . 1 1 115 115 LYS H H 127 8.647 8.647 8.166 0.481 18522 9217 1 17 . 1 1 3 3 PRO C C 15 177.225 177.225 176.830 0.395 18522 9218 1 17 . 1 1 3 3 PRO CA C 15 63.508 63.508 63.272 0.236 18522 9219 1 17 . 1 1 3 3 PRO CB C 15 32.090 32.090 32.290 -0.200 18522 9220 1 17 . 1 1 4 4 GLY N N 16 108.829 108.829 108.635 0.194 18522 9221 1 17 . 1 1 4 4 GLY C C 16 173.398 173.398 173.926 -0.528 18522 9222 1 17 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.296 0.832 18522 9223 1 17 . 1 1 4 4 GLY H H 16 8.489 8.489 7.907 0.582 18522 9224 1 17 . 1 1 5 5 ILE N N 17 121.763 121.763 121.654 0.109 18522 9225 1 17 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.634 -0.080 18522 9226 1 17 . 1 1 5 5 ILE C C 17 174.332 174.332 174.791 -0.459 18522 9227 1 17 . 1 1 5 5 ILE CA C 17 58.245 58.245 58.168 0.077 18522 9228 1 17 . 1 1 5 5 ILE CB C 17 38.762 38.762 38.284 0.478 18522 9229 1 17 . 1 1 5 5 ILE H H 17 8.014 8.014 8.244 -0.230 18522 9230 1 17 . 1 1 6 6 PRO C C 18 176.437 176.437 176.440 -0.003 18522 9231 1 17 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.391 -1.724 18522 9232 1 17 . 1 1 6 6 PRO CB C 18 32.469 32.469 31.720 0.749 18522 9233 1 17 . 1 1 7 7 VAL N N 19 123.849 123.849 115.245 8.604 18522 9234 1 17 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.474 0.076 18522 9235 1 17 . 1 1 7 7 VAL C C 19 174.453 174.453 173.352 1.101 18522 9236 1 17 . 1 1 7 7 VAL CA C 19 59.846 59.846 58.194 1.652 18522 9237 1 17 . 1 1 7 7 VAL CB C 19 33.510 33.510 30.885 2.625 18522 9238 1 17 . 1 1 7 7 VAL H H 19 8.754 8.754 7.800 0.954 18522 9239 1 17 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.210 1.128 18522 9240 1 17 . 1 1 8 8 PRO C C 20 177.585 177.585 176.684 0.901 18522 9241 1 17 . 1 1 8 8 PRO CA C 20 62.406 62.406 63.147 -0.741 18522 9242 1 17 . 1 1 8 8 PRO CB C 20 32.891 32.891 31.677 1.214 18522 9243 1 17 . 1 1 9 9 GLY N N 21 108.426 108.426 111.281 -2.855 18522 9244 1 17 . 1 1 9 9 GLY C C 21 171.443 171.443 171.271 0.172 18522 9245 1 17 . 1 1 9 9 GLY CA C 21 44.581 44.581 44.418 0.163 18522 9246 1 17 . 1 1 9 9 GLY H H 21 8.258 8.258 7.885 0.373 18522 9247 1 17 . 1 1 10 10 LYS N N 22 117.372 117.372 121.131 -3.759 18522 9248 1 17 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.280 -1.241 18522 9249 1 17 . 1 1 10 10 LYS C C 22 174.463 174.463 174.609 -0.146 18522 9250 1 17 . 1 1 10 10 LYS CA C 22 55.263 55.263 55.213 0.050 18522 9251 1 17 . 1 1 10 10 LYS CB C 22 35.227 35.227 35.276 -0.049 18522 9252 1 17 . 1 1 10 10 LYS H H 22 8.175 8.175 8.076 0.099 18522 9253 1 17 . 1 1 11 11 VAL N N 23 120.387 120.387 123.329 -2.942 18522 9254 1 17 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.521 0.187 18522 9255 1 17 . 1 1 11 11 VAL C C 23 171.873 171.873 173.720 -1.847 18522 9256 1 17 . 1 1 11 11 VAL CA C 23 59.866 59.866 60.066 -0.200 18522 9257 1 17 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.783 -0.514 18522 9258 1 17 . 1 1 11 11 VAL H H 23 8.862 8.862 8.326 0.536 18522 9259 1 17 . 1 1 12 12 THR N N 24 125.797 125.797 121.392 4.405 18522 9260 1 17 . 1 1 12 12 THR HA H 24 5.121 5.121 4.959 0.162 18522 9261 1 17 . 1 1 12 12 THR C C 24 173.407 173.407 173.759 -0.352 18522 9262 1 17 . 1 1 12 12 THR CA C 24 62.115 62.115 60.315 1.800 18522 9263 1 17 . 1 1 12 12 THR CB C 24 69.606 69.606 68.899 0.707 18522 9264 1 17 . 1 1 12 12 THR H H 24 8.859 8.859 8.338 0.521 18522 9265 1 17 . 1 1 13 13 LEU N N 25 127.960 127.960 127.065 0.895 18522 9266 1 17 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.847 -0.038 18522 9267 1 17 . 1 1 13 13 LEU C C 25 175.029 175.029 175.187 -0.158 18522 9268 1 17 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.914 -0.291 18522 9269 1 17 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.494 0.748 18522 9270 1 17 . 1 1 13 13 LEU H H 25 9.258 9.258 8.183 1.075 18522 9271 1 17 . 1 1 14 14 GLN N N 26 120.858 120.858 117.359 3.499 18522 9272 1 17 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.607 -0.125 18522 9273 1 17 . 1 1 14 14 GLN C C 26 174.515 174.515 175.443 -0.928 18522 9274 1 17 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.389 0.187 18522 9275 1 17 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.643 -2.127 18522 9276 1 17 . 1 1 14 14 GLN H H 26 8.530 8.530 8.360 0.170 18522 9277 1 17 . 1 1 15 15 LYS N N 27 119.583 119.583 122.772 -3.189 18522 9278 1 17 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.301 -0.121 18522 9279 1 17 . 1 1 15 15 LYS C C 27 177.468 177.468 176.792 0.676 18522 9280 1 17 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.597 -0.641 18522 9281 1 17 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.450 1.649 18522 9282 1 17 . 1 1 15 15 LYS H H 27 8.099 8.099 8.121 -0.022 18522 9283 1 17 . 1 1 16 16 ASP N N 28 121.439 121.439 121.513 -0.074 18522 9284 1 17 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.641 -0.051 18522 9285 1 17 . 1 1 16 16 ASP C C 28 178.392 178.392 177.775 0.617 18522 9286 1 17 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.480 -1.054 18522 9287 1 17 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.694 -1.317 18522 9288 1 17 . 1 1 16 16 ASP H H 28 8.888 8.888 8.530 0.358 18522 9289 1 17 . 1 1 17 17 ALA N N 29 119.578 119.578 123.650 -4.072 18522 9290 1 17 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.087 0.101 18522 9291 1 17 . 1 1 17 17 ALA C C 29 178.763 178.763 178.286 0.477 18522 9292 1 17 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.578 -0.144 18522 9293 1 17 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.727 -0.434 18522 9294 1 17 . 1 1 17 17 ALA H H 29 8.392 8.392 8.691 -0.299 18522 9295 1 17 . 1 1 18 18 GLN N N 30 117.564 117.564 116.695 0.869 18522 9296 1 17 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.361 0.038 18522 9297 1 17 . 1 1 18 18 GLN C C 30 175.168 175.168 175.512 -0.344 18522 9298 1 17 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.194 0.145 18522 9299 1 17 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.340 -0.751 18522 9300 1 17 . 1 1 18 18 GLN H H 30 8.353 8.353 7.829 0.524 18522 9301 1 17 . 1 1 19 19 ASN N N 31 115.365 115.365 116.606 -1.241 18522 9302 1 17 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.390 -0.075 18522 9303 1 17 . 1 1 19 19 ASN C C 31 174.043 174.043 172.854 1.189 18522 9304 1 17 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.406 -0.102 18522 9305 1 17 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.651 -0.041 18522 9306 1 17 . 1 1 19 19 ASN H H 31 8.521 8.521 8.299 0.222 18522 9307 1 17 . 1 1 20 20 LEU N N 32 118.660 118.660 111.141 7.519 18522 9308 1 17 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.833 0.067 18522 9309 1 17 . 1 1 20 20 LEU C C 32 178.117 178.117 176.633 1.484 18522 9310 1 17 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.274 0.683 18522 9311 1 17 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.538 1.236 18522 9312 1 17 . 1 1 20 20 LEU H H 32 8.155 8.155 7.358 0.797 18522 9313 1 17 . 1 1 21 21 ILE N N 33 116.785 116.785 115.393 1.392 18522 9314 1 17 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.549 0.125 18522 9315 1 17 . 1 1 21 21 ILE C C 33 176.185 176.185 176.537 -0.352 18522 9316 1 17 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.360 1.242 18522 9317 1 17 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.177 -0.161 18522 9318 1 17 . 1 1 21 21 ILE H H 33 11.488 11.488 8.059 3.429 18522 9319 1 17 . 1 1 22 22 GLY N N 34 111.234 111.234 107.985 3.249 18522 9320 1 17 . 1 1 22 22 GLY C C 34 173.993 173.993 173.661 0.332 18522 9321 1 17 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.027 0.953 18522 9322 1 17 . 1 1 22 22 GLY H H 34 9.854 9.854 8.037 1.817 18522 9323 1 17 . 1 1 23 23 ILE N N 35 111.117 111.117 114.786 -3.669 18522 9324 1 17 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.395 0.140 18522 9325 1 17 . 1 1 23 23 ILE C C 35 175.033 175.033 174.535 0.498 18522 9326 1 17 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.958 0.457 18522 9327 1 17 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.237 0.340 18522 9328 1 17 . 1 1 23 23 ILE H H 35 7.835 7.835 7.427 0.408 18522 9329 1 17 . 1 1 24 24 SER N N 36 114.908 114.908 115.726 -0.818 18522 9330 1 17 . 1 1 24 24 SER HA H 36 4.232 4.232 4.912 -0.680 18522 9331 1 17 . 1 1 24 24 SER C C 36 174.735 174.735 172.841 1.894 18522 9332 1 17 . 1 1 24 24 SER CA C 36 56.121 56.121 57.404 -1.283 18522 9333 1 17 . 1 1 24 24 SER CB C 36 66.097 66.097 65.830 0.267 18522 9334 1 17 . 1 1 24 24 SER H H 36 8.623 8.623 8.404 0.219 18522 9335 1 17 . 1 1 25 25 ILE N N 37 117.739 117.739 125.283 -7.544 18522 9336 1 17 . 1 1 25 25 ILE C C 37 174.340 174.340 176.151 -1.811 18522 9337 1 17 . 1 1 25 25 ILE CA C 37 59.123 59.123 58.498 0.625 18522 9338 1 17 . 1 1 25 25 ILE CB C 37 41.637 41.637 38.947 2.690 18522 9339 1 17 . 1 1 25 25 ILE H H 37 9.130 9.130 8.945 0.185 18522 9340 1 17 . 1 1 26 26 GLY N N 38 108.069 108.069 114.597 -6.528 18522 9341 1 17 . 1 1 26 26 GLY CA C 38 44.112 44.112 44.087 0.025 18522 9342 1 17 . 1 1 26 26 GLY H H 38 8.841 8.841 9.163 -0.322 18522 9343 1 17 . 1 1 27 27 GLY N N 39 109.016 109.016 108.651 0.365 18522 9344 1 17 . 1 1 27 27 GLY C C 39 173.956 173.956 175.167 -1.211 18522 9345 1 17 . 1 1 27 27 GLY H H 39 8.187 8.187 8.470 -0.283 18522 9346 1 17 . 1 1 28 28 GLY N N 40 111.783 111.783 109.310 2.473 18522 9347 1 17 . 1 1 28 28 GLY C C 40 174.255 174.255 173.501 0.754 18522 9348 1 17 . 1 1 28 28 GLY CA C 40 47.098 47.098 45.605 1.494 18522 9349 1 17 . 1 1 28 28 GLY H H 40 8.275 8.275 8.783 -0.508 18522 9350 1 17 . 1 1 29 29 ALA N N 41 123.128 123.128 120.734 2.394 18522 9351 1 17 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.696 -0.137 18522 9352 1 17 . 1 1 29 29 ALA CA C 41 51.073 51.073 51.342 -0.268 18522 9353 1 17 . 1 1 29 29 ALA CB C 41 21.926 21.926 20.337 1.589 18522 9354 1 17 . 1 1 29 29 ALA H H 41 8.012 8.012 7.278 0.734 18522 9355 1 17 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.452 0.097 18522 9356 1 17 . 1 1 31 31 TYR CA C 43 57.147 57.147 60.831 -3.683 18522 9357 1 17 . 1 1 31 31 TYR CB C 43 37.495 37.495 38.760 -1.265 18522 9358 1 17 . 1 1 32 32 CYS N N 44 119.332 119.332 116.820 2.512 18522 9359 1 17 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.801 0.058 18522 9360 1 17 . 1 1 32 32 CYS CA C 44 57.406 57.406 55.961 1.445 18522 9361 1 17 . 1 1 32 32 CYS CB C 44 27.673 27.673 28.132 -0.459 18522 9362 1 17 . 1 1 32 32 CYS H H 44 7.504 7.504 8.377 -0.873 18522 9363 1 17 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.604 -0.191 18522 9364 1 17 . 1 1 33 33 PRO CA C 45 64.885 64.885 62.949 1.936 18522 9365 1 17 . 1 1 33 33 PRO CB C 45 32.318 32.318 29.843 2.475 18522 9366 1 17 . 1 1 34 34 CYS N N 46 117.327 117.327 119.703 -2.376 18522 9367 1 17 . 1 1 34 34 CYS C C 46 172.064 172.064 173.341 -1.277 18522 9368 1 17 . 1 1 34 34 CYS CA C 46 60.066 60.066 58.087 1.979 18522 9369 1 17 . 1 1 34 34 CYS CB C 46 28.715 28.715 31.186 -2.471 18522 9370 1 17 . 1 1 34 34 CYS H H 46 7.973 7.973 8.174 -0.201 18522 9371 1 17 . 1 1 35 35 LEU N N 47 124.270 124.270 121.737 2.533 18522 9372 1 17 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.399 0.529 18522 9373 1 17 . 1 1 35 35 LEU C C 47 175.076 175.076 175.387 -0.311 18522 9374 1 17 . 1 1 35 35 LEU CA C 47 53.278 53.278 55.153 -1.875 18522 9375 1 17 . 1 1 35 35 LEU CB C 47 44.321 44.321 42.385 1.936 18522 9376 1 17 . 1 1 35 35 LEU H H 47 8.629 8.629 8.396 0.233 18522 9377 1 17 . 1 1 36 36 TYR N N 48 119.326 119.326 116.785 2.541 18522 9378 1 17 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.827 0.428 18522 9379 1 17 . 1 1 36 36 TYR C C 48 175.766 175.766 176.630 -0.864 18522 9380 1 17 . 1 1 36 36 TYR CA C 48 56.696 56.696 59.537 -2.841 18522 9381 1 17 . 1 1 36 36 TYR CB C 48 42.590 42.590 38.721 3.869 18522 9382 1 17 . 1 1 36 36 TYR H H 48 8.761 8.761 7.457 1.304 18522 9383 1 17 . 1 1 37 37 ILE N N 49 120.259 120.259 123.097 -2.838 18522 9384 1 17 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.623 -0.408 18522 9385 1 17 . 1 1 37 37 ILE C C 49 177.429 177.429 175.650 1.779 18522 9386 1 17 . 1 1 37 37 ILE CA C 49 62.456 62.456 59.447 3.009 18522 9387 1 17 . 1 1 37 37 ILE CB C 49 37.352 37.352 37.531 -0.179 18522 9388 1 17 . 1 1 37 37 ILE H H 49 8.959 8.959 8.993 -0.034 18522 9389 1 17 . 1 1 38 38 VAL HA H 50 3.937 3.937 3.820 0.117 18522 9390 1 17 . 1 1 38 38 VAL C C 50 174.408 174.408 175.452 -1.044 18522 9391 1 17 . 1 1 38 38 VAL CA C 50 62.259 62.259 64.417 -2.158 18522 9392 1 17 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.310 -0.726 18522 9393 1 17 . 1 1 39 39 GLN N N 51 116.821 116.821 114.952 1.869 18522 9394 1 17 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.437 -0.334 18522 9395 1 17 . 1 1 39 39 GLN C C 51 172.856 172.856 172.811 0.045 18522 9396 1 17 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.135 -0.008 18522 9397 1 17 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.111 0.265 18522 9398 1 17 . 1 1 39 39 GLN H H 51 6.967 6.967 7.478 -0.511 18522 9399 1 17 . 1 1 40 40 VAL N N 52 123.482 123.482 119.458 4.024 18522 9400 1 17 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.962 -0.685 18522 9401 1 17 . 1 1 40 40 VAL C C 52 176.198 176.198 173.949 2.249 18522 9402 1 17 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.566 2.008 18522 9403 1 17 . 1 1 40 40 VAL CB C 52 32.875 32.875 35.229 -2.354 18522 9404 1 17 . 1 1 40 40 VAL H H 52 8.447 8.447 8.116 0.331 18522 9405 1 17 . 1 1 41 41 PHE N N 53 128.296 128.296 122.163 6.133 18522 9406 1 17 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.831 -0.431 18522 9407 1 17 . 1 1 41 41 PHE C C 53 175.299 175.299 175.970 -0.671 18522 9408 1 17 . 1 1 41 41 PHE CA C 53 58.494 58.494 57.169 1.325 18522 9409 1 17 . 1 1 41 41 PHE CB C 53 39.561 39.561 40.828 -1.267 18522 9410 1 17 . 1 1 41 41 PHE H H 53 8.707 8.707 8.474 0.233 18522 9411 1 17 . 1 1 42 42 ASP N N 54 122.696 122.696 123.760 -1.064 18522 9412 1 17 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.273 -0.001 18522 9413 1 17 . 1 1 42 42 ASP C C 54 176.837 176.837 176.382 0.455 18522 9414 1 17 . 1 1 42 42 ASP CA C 54 55.291 55.291 57.095 -1.804 18522 9415 1 17 . 1 1 42 42 ASP CB C 54 41.093 41.093 41.042 0.051 18522 9416 1 17 . 1 1 42 42 ASP H H 54 8.901 8.901 9.022 -0.121 18522 9417 1 17 . 1 1 43 43 ASN N N 55 113.923 113.923 112.991 0.932 18522 9418 1 17 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.778 -0.520 18522 9419 1 17 . 1 1 43 43 ASN C C 55 173.714 173.714 175.305 -1.591 18522 9420 1 17 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.002 1.956 18522 9421 1 17 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.345 -2.195 18522 9422 1 17 . 1 1 43 43 ASN H H 55 9.319 9.319 8.107 1.212 18522 9423 1 17 . 1 1 44 44 THR N N 56 108.020 108.020 114.174 -6.154 18522 9424 1 17 . 1 1 44 44 THR HA H 56 5.377 5.377 4.932 0.445 18522 9425 1 17 . 1 1 44 44 THR CA C 56 59.712 59.712 59.681 0.031 18522 9426 1 17 . 1 1 44 44 THR CB C 56 69.529 69.529 70.210 -0.681 18522 9427 1 17 . 1 1 44 44 THR H H 56 7.149 7.149 8.005 -0.856 18522 9428 1 17 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.098 0.206 18522 9429 1 17 . 1 1 45 45 PRO C C 57 180.141 180.141 178.116 2.025 18522 9430 1 17 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.693 0.397 18522 9431 1 17 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.461 1.733 18522 9432 1 17 . 1 1 46 46 ALA N N 58 116.854 116.854 120.148 -3.294 18522 9433 1 17 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.000 0.035 18522 9434 1 17 . 1 1 46 46 ALA C C 58 180.647 180.647 179.493 1.154 18522 9435 1 17 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.271 -0.076 18522 9436 1 17 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.121 0.759 18522 9437 1 17 . 1 1 46 46 ALA H H 58 8.938 8.938 7.831 1.107 18522 9438 1 17 . 1 1 47 47 ALA N N 59 123.250 123.250 121.102 2.148 18522 9439 1 17 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.152 -0.122 18522 9440 1 17 . 1 1 47 47 ALA C C 59 179.852 179.852 179.695 0.157 18522 9441 1 17 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.516 0.423 18522 9442 1 17 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.452 1.236 18522 9443 1 17 . 1 1 47 47 ALA H H 59 7.658 7.658 7.438 0.220 18522 9444 1 17 . 1 1 48 48 LEU N N 60 118.654 118.654 119.527 -0.873 18522 9445 1 17 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.123 -0.097 18522 9446 1 17 . 1 1 48 48 LEU C C 60 179.238 179.238 178.618 0.620 18522 9447 1 17 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.072 -0.811 18522 9448 1 17 . 1 1 48 48 LEU CB C 60 41.445 41.445 40.894 0.551 18522 9449 1 17 . 1 1 48 48 LEU H H 60 8.636 8.636 8.402 0.234 18522 9450 1 17 . 1 1 49 49 ASP N N 61 117.382 117.382 116.832 0.550 18522 9451 1 17 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.656 -0.235 18522 9452 1 17 . 1 1 49 49 ASP C C 61 177.668 177.668 177.969 -0.301 18522 9453 1 17 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.869 2.218 18522 9454 1 17 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.849 2.629 18522 9455 1 17 . 1 1 49 49 ASP H H 61 7.665 7.665 7.878 -0.213 18522 9456 1 17 . 1 1 50 50 GLY N N 62 103.228 103.228 108.427 -5.199 18522 9457 1 17 . 1 1 50 50 GLY C C 62 174.776 174.776 175.144 -0.368 18522 9458 1 17 . 1 1 50 50 GLY CA C 62 46.533 46.533 46.084 0.449 18522 9459 1 17 . 1 1 50 50 GLY H H 62 7.216 7.216 8.493 -1.277 18522 9460 1 17 . 1 1 51 51 THR N N 63 117.230 117.230 110.732 6.498 18522 9461 1 17 . 1 1 51 51 THR HA H 63 3.907 3.907 3.807 0.100 18522 9462 1 17 . 1 1 51 51 THR C C 63 175.961 175.961 174.819 1.142 18522 9463 1 17 . 1 1 51 51 THR CA C 63 66.478 66.478 63.150 3.328 18522 9464 1 17 . 1 1 51 51 THR CB C 63 68.268 68.268 66.680 1.587 18522 9465 1 17 . 1 1 51 51 THR H H 63 8.319 8.319 7.936 0.383 18522 9466 1 17 . 1 1 52 52 VAL N N 64 113.826 113.826 116.319 -2.493 18522 9467 1 17 . 1 1 52 52 VAL HA H 64 3.950 3.950 3.981 -0.031 18522 9468 1 17 . 1 1 52 52 VAL C C 64 173.883 173.883 174.711 -0.828 18522 9469 1 17 . 1 1 52 52 VAL CA C 64 60.708 60.708 60.169 0.540 18522 9470 1 17 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.080 2.999 18522 9471 1 17 . 1 1 52 52 VAL H H 64 8.147 8.147 7.354 0.793 18522 9472 1 17 . 1 1 53 53 ALA N N 65 123.521 123.521 124.199 -0.678 18522 9473 1 17 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.303 0.111 18522 9474 1 17 . 1 1 53 53 ALA C C 65 175.247 175.247 176.954 -1.707 18522 9475 1 17 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.810 -0.370 18522 9476 1 17 . 1 1 53 53 ALA CB C 65 23.266 23.266 19.925 3.341 18522 9477 1 17 . 1 1 53 53 ALA H H 65 8.633 8.633 7.135 1.498 18522 9478 1 17 . 1 1 54 54 ALA N N 66 120.818 120.818 121.455 -0.637 18522 9479 1 17 . 1 1 54 54 ALA HA H 66 3.720 3.720 4.235 -0.515 18522 9480 1 17 . 1 1 54 54 ALA C C 66 178.411 178.411 178.879 -0.468 18522 9481 1 17 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.146 -0.130 18522 9482 1 17 . 1 1 54 54 ALA CB C 66 17.840 17.840 18.289 -0.449 18522 9483 1 17 . 1 1 54 54 ALA H H 66 8.451 8.451 8.110 0.341 18522 9484 1 17 . 1 1 55 55 GLY N N 67 112.260 112.260 112.853 -0.593 18522 9485 1 17 . 1 1 55 55 GLY C C 67 173.296 173.296 174.115 -0.819 18522 9486 1 17 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.753 0.272 18522 9487 1 17 . 1 1 55 55 GLY H H 67 9.600 9.600 8.771 0.829 18522 9488 1 17 . 1 1 56 56 ASP N N 68 121.293 121.293 121.495 -0.202 18522 9489 1 17 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.969 -0.108 18522 9490 1 17 . 1 1 56 56 ASP C C 68 174.937 174.937 174.638 0.299 18522 9491 1 17 . 1 1 56 56 ASP CA C 68 55.641 55.641 53.862 1.779 18522 9492 1 17 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.858 -2.162 18522 9493 1 17 . 1 1 56 56 ASP H H 68 8.043 8.043 7.520 0.523 18522 9494 1 17 . 1 1 57 57 GLU N N 69 122.814 122.814 118.184 4.630 18522 9495 1 17 . 1 1 57 57 GLU C C 69 177.202 177.202 175.751 1.451 18522 9496 1 17 . 1 1 57 57 GLU CA C 69 54.472 54.472 54.336 0.136 18522 9497 1 17 . 1 1 57 57 GLU CB C 69 32.800 32.800 32.826 -0.026 18522 9498 1 17 . 1 1 57 57 GLU H H 69 8.455 8.455 8.831 -0.376 18522 9499 1 17 . 1 1 58 58 ILE N N 70 125.862 125.862 123.737 2.125 18522 9500 1 17 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.606 -0.080 18522 9501 1 17 . 1 1 58 58 ILE C C 70 175.035 175.035 175.809 -0.774 18522 9502 1 17 . 1 1 58 58 ILE CA C 70 60.918 60.918 59.319 1.599 18522 9503 1 17 . 1 1 58 58 ILE CB C 70 39.236 39.236 36.597 2.639 18522 9504 1 17 . 1 1 58 58 ILE H H 70 8.619 8.619 8.281 0.338 18522 9505 1 17 . 1 1 59 59 THR N N 71 115.507 115.507 121.302 -5.795 18522 9506 1 17 . 1 1 59 59 THR HA H 71 4.513 4.513 4.557 -0.044 18522 9507 1 17 . 1 1 59 59 THR C C 71 176.425 176.425 173.778 2.647 18522 9508 1 17 . 1 1 59 59 THR CA C 71 61.158 61.158 61.275 -0.117 18522 9509 1 17 . 1 1 59 59 THR CB C 71 69.604 69.604 70.320 -0.716 18522 9510 1 17 . 1 1 59 59 THR H H 71 9.242 9.242 9.051 0.191 18522 9511 1 17 . 1 1 60 60 GLY N N 72 111.789 111.789 108.628 3.161 18522 9512 1 17 . 1 1 60 60 GLY C C 72 170.981 170.981 171.739 -0.758 18522 9513 1 17 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.581 0.973 18522 9514 1 17 . 1 1 60 60 GLY H H 72 7.883 7.883 7.640 0.243 18522 9515 1 17 . 1 1 61 61 VAL N N 73 119.277 119.277 118.502 0.775 18522 9516 1 17 . 1 1 61 61 VAL C C 73 175.951 175.951 175.726 0.225 18522 9517 1 17 . 1 1 61 61 VAL CA C 73 60.982 60.982 59.097 1.885 18522 9518 1 17 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.823 1.374 18522 9519 1 17 . 1 1 61 61 VAL H H 73 8.424 8.424 8.080 0.344 18522 9520 1 17 . 1 1 62 62 ASN N N 74 127.731 127.731 123.279 4.452 18522 9521 1 17 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.253 0.267 18522 9522 1 17 . 1 1 62 62 ASN C C 74 174.878 174.878 175.441 -0.563 18522 9523 1 17 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.308 0.110 18522 9524 1 17 . 1 1 62 62 ASN CB C 74 36.655 36.655 38.211 -1.556 18522 9525 1 17 . 1 1 62 62 ASN H H 74 10.384 10.384 8.786 1.598 18522 9526 1 17 . 1 1 63 63 GLY N N 75 104.633 104.633 104.321 0.312 18522 9527 1 17 . 1 1 63 63 GLY C C 75 173.610 173.610 173.694 -0.084 18522 9528 1 17 . 1 1 63 63 GLY CA C 75 45.261 45.261 45.086 0.175 18522 9529 1 17 . 1 1 63 63 GLY H H 75 8.926 8.926 8.106 0.820 18522 9530 1 17 . 1 1 64 64 ARG N N 76 120.451 120.451 118.936 1.515 18522 9531 1 17 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.674 -0.173 18522 9532 1 17 . 1 1 64 64 ARG C C 76 175.085 175.085 174.884 0.201 18522 9533 1 17 . 1 1 64 64 ARG CA C 76 54.252 54.252 53.406 0.846 18522 9534 1 17 . 1 1 64 64 ARG CB C 76 31.482 31.482 32.472 -0.990 18522 9535 1 17 . 1 1 64 64 ARG H H 76 7.753 7.753 8.050 -0.297 18522 9536 1 17 . 1 1 65 65 SER N N 77 116.586 116.586 113.609 2.977 18522 9537 1 17 . 1 1 65 65 SER HA H 77 4.483 4.483 4.564 -0.081 18522 9538 1 17 . 1 1 65 65 SER C C 77 176.953 176.953 175.957 0.996 18522 9539 1 17 . 1 1 65 65 SER CA C 77 58.292 58.292 58.043 0.249 18522 9540 1 17 . 1 1 65 65 SER CB C 77 63.643 63.643 64.027 -0.384 18522 9541 1 17 . 1 1 65 65 SER H H 77 8.555 8.555 8.428 0.127 18522 9542 1 17 . 1 1 66 66 ILE N N 78 116.618 116.618 116.765 -0.147 18522 9543 1 17 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.482 -0.062 18522 9544 1 17 . 1 1 66 66 ILE C C 78 175.072 175.072 176.665 -1.593 18522 9545 1 17 . 1 1 66 66 ILE CA C 78 59.122 59.122 60.892 -1.770 18522 9546 1 17 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.787 -1.029 18522 9547 1 17 . 1 1 66 66 ILE H H 78 7.599 7.599 8.301 -0.702 18522 9548 1 17 . 1 1 67 67 LYS N N 79 123.287 123.287 123.620 -0.333 18522 9549 1 17 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.219 -0.170 18522 9550 1 17 . 1 1 67 67 LYS C C 79 178.333 178.333 178.194 0.139 18522 9551 1 17 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.788 -0.468 18522 9552 1 17 . 1 1 67 67 LYS CB C 79 31.635 31.635 31.761 -0.126 18522 9553 1 17 . 1 1 67 67 LYS H H 79 7.898 7.898 7.601 0.297 18522 9554 1 17 . 1 1 68 68 GLY N N 80 114.933 114.933 105.007 9.926 18522 9555 1 17 . 1 1 68 68 GLY C C 80 174.385 174.385 174.706 -0.321 18522 9556 1 17 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.842 -0.324 18522 9557 1 17 . 1 1 68 68 GLY H H 80 8.999 8.999 8.399 0.600 18522 9558 1 17 . 1 1 69 69 LYS N N 81 119.403 119.403 117.662 1.741 18522 9559 1 17 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.741 -0.698 18522 9560 1 17 . 1 1 69 69 LYS C C 81 177.064 177.064 174.893 2.171 18522 9561 1 17 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.050 -0.328 18522 9562 1 17 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.220 0.340 18522 9563 1 17 . 1 1 69 69 LYS H H 81 7.845 7.845 7.793 0.052 18522 9564 1 17 . 1 1 70 70 THR N N 82 112.066 112.066 113.713 -1.647 18522 9565 1 17 . 1 1 70 70 THR HA H 82 4.666 4.666 4.691 -0.025 18522 9566 1 17 . 1 1 70 70 THR C C 82 175.955 175.955 175.021 0.934 18522 9567 1 17 . 1 1 70 70 THR CA C 82 60.438 60.438 60.188 0.250 18522 9568 1 17 . 1 1 70 70 THR CB C 82 71.629 71.629 71.129 0.500 18522 9569 1 17 . 1 1 70 70 THR H H 82 9.153 9.153 7.808 1.345 18522 9570 1 17 . 1 1 71 71 LYS N N 83 118.730 118.730 122.872 -4.142 18522 9571 1 17 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.884 -0.014 18522 9572 1 17 . 1 1 71 71 LYS C C 83 177.464 177.464 178.418 -0.954 18522 9573 1 17 . 1 1 71 71 LYS CA C 83 60.357 60.357 60.233 0.124 18522 9574 1 17 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.515 -0.164 18522 9575 1 17 . 1 1 71 71 LYS H H 83 8.969 8.969 8.760 0.209 18522 9576 1 17 . 1 1 72 72 VAL N N 84 117.444 117.444 118.576 -1.132 18522 9577 1 17 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.669 -0.036 18522 9578 1 17 . 1 1 72 72 VAL C C 84 178.315 178.315 177.438 0.877 18522 9579 1 17 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.419 0.659 18522 9580 1 17 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.741 0.349 18522 9581 1 17 . 1 1 72 72 VAL H H 84 7.631 7.631 8.240 -0.609 18522 9582 1 17 . 1 1 73 73 GLU N N 85 120.890 120.890 119.228 1.662 18522 9583 1 17 . 1 1 73 73 GLU HA H 85 3.964 3.964 3.957 0.007 18522 9584 1 17 . 1 1 73 73 GLU C C 85 179.971 179.971 178.865 1.106 18522 9585 1 17 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.221 0.095 18522 9586 1 17 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.677 0.678 18522 9587 1 17 . 1 1 73 73 GLU H H 85 7.617 7.617 7.500 0.117 18522 9588 1 17 . 1 1 74 74 VAL N N 86 121.246 121.246 118.273 2.973 18522 9589 1 17 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.682 -0.052 18522 9590 1 17 . 1 1 74 74 VAL C C 86 177.217 177.217 177.724 -0.507 18522 9591 1 17 . 1 1 74 74 VAL CA C 86 66.678 66.678 66.337 0.341 18522 9592 1 17 . 1 1 74 74 VAL CB C 86 31.307 31.307 31.452 -0.145 18522 9593 1 17 . 1 1 74 74 VAL H H 86 8.368 8.368 8.344 0.024 18522 9594 1 17 . 1 1 75 75 ALA N N 87 122.148 122.148 122.075 0.073 18522 9595 1 17 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.980 -0.033 18522 9596 1 17 . 1 1 75 75 ALA C C 87 179.545 179.545 179.079 0.466 18522 9597 1 17 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.295 0.556 18522 9598 1 17 . 1 1 75 75 ALA CB C 87 18.491 18.491 18.026 0.465 18522 9599 1 17 . 1 1 75 75 ALA H H 87 8.577 8.577 8.176 0.401 18522 9600 1 17 . 1 1 76 76 LYS N N 88 117.733 117.733 120.193 -2.460 18522 9601 1 17 . 1 1 76 76 LYS HA H 88 4.051 4.051 4.178 -0.127 18522 9602 1 17 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.133 0.260 18522 9603 1 17 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.383 -0.325 18522 9604 1 17 . 1 1 76 76 LYS H H 88 7.854 7.854 7.467 0.387 18522 9605 1 17 . 1 1 77 77 MET N N 89 117.676 117.676 117.255 0.421 18522 9606 1 17 . 1 1 77 77 MET HA H 89 4.048 4.048 4.120 -0.072 18522 9607 1 17 . 1 1 77 77 MET C C 89 178.791 178.791 178.805 -0.014 18522 9608 1 17 . 1 1 77 77 MET CA C 89 59.128 59.128 57.992 1.137 18522 9609 1 17 . 1 1 77 77 MET CB C 89 33.801 33.801 31.671 2.130 18522 9610 1 17 . 1 1 77 77 MET H H 89 7.759 7.759 8.383 -0.624 18522 9611 1 17 . 1 1 78 78 ILE N N 90 117.305 117.305 119.371 -2.066 18522 9612 1 17 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.621 -0.031 18522 9613 1 17 . 1 1 78 78 ILE C C 90 178.658 178.658 177.888 0.770 18522 9614 1 17 . 1 1 78 78 ILE CA C 90 65.482 65.482 65.384 0.098 18522 9615 1 17 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.822 1.023 18522 9616 1 17 . 1 1 78 78 ILE H H 90 7.972 7.972 7.957 0.015 18522 9617 1 17 . 1 1 79 79 GLN N N 91 120.935 120.935 118.543 2.392 18522 9618 1 17 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.239 -0.241 18522 9619 1 17 . 1 1 79 79 GLN C C 91 178.274 178.274 177.451 0.823 18522 9620 1 17 . 1 1 79 79 GLN CA C 91 59.151 59.151 57.889 1.262 18522 9621 1 17 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.827 0.107 18522 9622 1 17 . 1 1 79 79 GLN H H 91 8.826 8.826 8.107 0.719 18522 9623 1 17 . 1 1 80 80 GLU N N 92 115.213 115.213 120.446 -5.233 18522 9624 1 17 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.070 -0.009 18522 9625 1 17 . 1 1 80 80 GLU C C 92 176.824 176.824 178.379 -1.555 18522 9626 1 17 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.143 -1.137 18522 9627 1 17 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.917 -0.027 18522 9628 1 17 . 1 1 80 80 GLU H H 92 8.020 8.020 8.349 -0.329 18522 9629 1 17 . 1 1 81 81 VAL N N 93 119.047 119.047 114.465 4.582 18522 9630 1 17 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.820 0.110 18522 9631 1 17 . 1 1 81 81 VAL C C 93 176.016 176.016 176.113 -0.097 18522 9632 1 17 . 1 1 81 81 VAL CA C 93 63.153 63.153 64.001 -0.848 18522 9633 1 17 . 1 1 81 81 VAL CB C 93 32.154 32.154 31.508 0.646 18522 9634 1 17 . 1 1 81 81 VAL H H 93 7.073 7.073 7.434 -0.361 18522 9635 1 17 . 1 1 82 82 LYS N N 94 128.366 128.366 115.356 13.010 18522 9636 1 17 . 1 1 82 82 LYS C C 94 177.460 177.460 177.669 -0.209 18522 9637 1 17 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.405 -1.652 18522 9638 1 17 . 1 1 82 82 LYS CB C 94 32.332 32.332 31.414 0.918 18522 9639 1 17 . 1 1 82 82 LYS H H 94 8.762 8.762 7.226 1.536 18522 9640 1 17 . 1 1 83 83 GLY N N 95 112.528 112.528 109.552 2.976 18522 9641 1 17 . 1 1 83 83 GLY C C 95 173.468 173.468 173.462 0.006 18522 9642 1 17 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.532 0.711 18522 9643 1 17 . 1 1 83 83 GLY H H 95 8.673 8.673 8.791 -0.118 18522 9644 1 17 . 1 1 84 84 GLU N N 96 121.485 121.485 121.403 0.082 18522 9645 1 17 . 1 1 84 84 GLU HA H 96 4.749 4.749 5.040 -0.291 18522 9646 1 17 . 1 1 84 84 GLU C C 96 174.583 174.583 174.643 -0.060 18522 9647 1 17 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.467 1.354 18522 9648 1 17 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.665 -2.255 18522 9649 1 17 . 1 1 84 84 GLU H H 96 8.297 8.297 7.971 0.326 18522 9650 1 17 . 1 1 85 85 VAL N N 97 120.501 120.501 112.373 8.128 18522 9651 1 17 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.598 0.067 18522 9652 1 17 . 1 1 85 85 VAL C C 97 173.047 173.047 174.108 -1.061 18522 9653 1 17 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.255 -0.141 18522 9654 1 17 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.415 -0.231 18522 9655 1 17 . 1 1 85 85 VAL H H 97 9.096 9.096 8.515 0.581 18522 9656 1 17 . 1 1 86 86 THR N N 98 125.019 125.019 119.538 5.481 18522 9657 1 17 . 1 1 86 86 THR HA H 98 4.076 4.076 4.992 -0.916 18522 9658 1 17 . 1 1 86 86 THR C C 98 173.807 173.807 173.902 -0.095 18522 9659 1 17 . 1 1 86 86 THR CA C 98 61.735 61.735 61.938 -0.203 18522 9660 1 17 . 1 1 86 86 THR CB C 98 69.531 69.531 69.356 0.175 18522 9661 1 17 . 1 1 86 86 THR H H 98 9.352 9.352 8.266 1.086 18522 9662 1 17 . 1 1 87 87 ILE N N 99 128.383 128.383 123.778 4.605 18522 9663 1 17 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.664 -0.003 18522 9664 1 17 . 1 1 87 87 ILE C C 99 174.614 174.614 174.723 -0.109 18522 9665 1 17 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.240 -0.982 18522 9666 1 17 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.539 -0.011 18522 9667 1 17 . 1 1 87 87 ILE H H 99 9.329 9.329 8.697 0.632 18522 9668 1 17 . 1 1 88 88 HIS N N 100 128.279 128.279 125.480 2.799 18522 9669 1 17 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.472 -0.524 18522 9670 1 17 . 1 1 88 88 HIS C C 100 174.787 174.787 174.935 -0.148 18522 9671 1 17 . 1 1 88 88 HIS CA C 100 54.620 54.620 53.786 0.834 18522 9672 1 17 . 1 1 88 88 HIS H H 100 8.647 8.647 8.562 0.085 18522 9673 1 17 . 1 1 89 89 TYR N N 101 121.320 121.320 123.638 -2.318 18522 9674 1 17 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.480 0.467 18522 9675 1 17 . 1 1 89 89 TYR C C 101 173.769 173.769 173.325 0.444 18522 9676 1 17 . 1 1 89 89 TYR CA C 101 55.669 55.669 55.379 0.290 18522 9677 1 17 . 1 1 89 89 TYR CB C 101 42.195 42.195 41.176 1.019 18522 9678 1 17 . 1 1 89 89 TYR H H 101 8.414 8.414 8.880 -0.466 18522 9679 1 17 . 1 1 90 90 ASN N N 102 116.679 116.679 116.627 0.052 18522 9680 1 17 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.309 0.026 18522 9681 1 17 . 1 1 90 90 ASN C C 102 175.406 175.406 173.967 1.439 18522 9682 1 17 . 1 1 90 90 ASN CA C 102 51.961 51.961 51.295 0.666 18522 9683 1 17 . 1 1 90 90 ASN CB C 102 41.800 41.800 41.767 0.033 18522 9684 1 17 . 1 1 90 90 ASN H H 102 9.282 9.282 8.941 0.341 18522 9685 1 17 . 1 1 91 91 LYS N N 103 124.129 124.129 119.324 4.805 18522 9686 1 17 . 1 1 91 91 LYS C C 103 176.678 176.678 174.863 1.815 18522 9687 1 17 . 1 1 91 91 LYS CA C 103 55.006 55.006 55.867 -0.861 18522 9688 1 17 . 1 1 91 91 LYS H H 103 8.949 8.949 8.603 0.346 18522 9689 1 17 . 1 1 92 92 LEU N N 104 127.043 127.043 118.185 8.858 18522 9690 1 17 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.514 -0.089 18522 9691 1 17 . 1 1 92 92 LEU CA C 104 55.060 55.060 53.946 1.114 18522 9692 1 17 . 1 1 92 92 LEU CB C 104 42.559 42.559 44.204 -1.645 18522 9693 1 17 . 1 1 92 92 LEU H H 104 9.150 9.150 7.442 1.708 18522 9694 1 17 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.156 0.159 18522 9695 1 17 . 1 1 93 93 GLN C C 105 175.070 175.070 175.776 -0.706 18522 9696 1 17 . 1 1 93 93 GLN CA C 105 55.490 55.490 55.326 0.164 18522 9697 1 17 . 1 1 93 93 GLN CB C 105 28.909 28.909 29.075 -0.166 18522 9698 1 17 . 1 1 94 94 ALA N N 106 125.133 125.133 121.455 3.678 18522 9699 1 17 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.217 0.149 18522 9700 1 17 . 1 1 94 94 ALA C C 106 176.392 176.392 175.613 0.779 18522 9701 1 17 . 1 1 94 94 ALA CA C 106 51.723 51.723 52.292 -0.569 18522 9702 1 17 . 1 1 94 94 ALA CB C 106 20.185 20.185 18.745 1.440 18522 9703 1 17 . 1 1 94 94 ALA H H 106 8.226 8.226 7.859 0.367 18522 9704 1 17 . 1 1 95 95 ASP N N 107 122.013 122.013 118.381 3.632 18522 9705 1 17 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.951 -0.538 18522 9706 1 17 . 1 1 95 95 ASP C C 107 175.019 175.019 175.295 -0.276 18522 9707 1 17 . 1 1 95 95 ASP CA C 107 55.642 55.642 51.126 4.516 18522 9708 1 17 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.576 -1.310 18522 9709 1 17 . 1 1 95 95 ASP H H 107 8.429 8.429 8.181 0.248 18522 9710 1 17 . 1 1 96 96 PRO HA H 108 4.207 4.207 3.984 0.223 18522 9711 1 17 . 1 1 96 96 PRO C C 108 178.840 178.840 177.981 0.859 18522 9712 1 17 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.057 -0.661 18522 9713 1 17 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.778 0.403 18522 9714 1 17 . 1 1 97 97 LYS N N 109 117.942 117.942 115.141 2.801 18522 9715 1 17 . 1 1 97 97 LYS HA H 109 4.143 4.143 3.992 0.151 18522 9716 1 17 . 1 1 97 97 LYS C C 109 178.099 178.099 179.220 -1.121 18522 9717 1 17 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.092 -0.924 18522 9718 1 17 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.658 -0.009 18522 9719 1 17 . 1 1 97 97 LYS H H 109 8.335 8.335 7.912 0.423 18522 9720 1 17 . 1 1 98 98 GLN N N 110 119.159 119.159 117.929 1.230 18522 9721 1 17 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.308 -0.178 18522 9722 1 17 . 1 1 98 98 GLN C C 110 178.298 178.298 178.246 0.052 18522 9723 1 17 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.536 0.124 18522 9724 1 17 . 1 1 98 98 GLN CB C 110 28.720 28.720 29.369 -0.649 18522 9725 1 17 . 1 1 98 98 GLN H H 110 7.985 7.985 8.163 -0.178 18522 9726 1 17 . 1 1 99 99 LEU N N 111 120.490 120.490 122.962 -2.472 18522 9727 1 17 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.250 -0.373 18522 9728 1 17 . 1 1 99 99 LEU C C 111 177.729 177.729 178.248 -0.519 18522 9729 1 17 . 1 1 99 99 LEU CA C 111 57.049 57.049 57.814 -0.765 18522 9730 1 17 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.982 -0.516 18522 9731 1 17 . 1 1 99 99 LEU H H 111 7.994 7.994 8.426 -0.432 18522 9732 1 17 . 1 1 100 100 GLU N N 112 118.251 118.251 118.986 -0.735 18522 9733 1 17 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.066 -0.094 18522 9734 1 17 . 1 1 100 100 GLU C C 112 178.402 178.402 178.935 -0.533 18522 9735 1 17 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.285 -0.229 18522 9736 1 17 . 1 1 100 100 GLU CB C 112 29.732 29.732 28.835 0.897 18522 9737 1 17 . 1 1 100 100 GLU H H 112 7.760 7.760 8.220 -0.460 18522 9738 1 17 . 1 1 101 101 VAL N N 113 117.229 117.229 120.384 -3.155 18522 9739 1 17 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.728 0.034 18522 9740 1 17 . 1 1 101 101 VAL C C 113 178.107 178.107 177.516 0.591 18522 9741 1 17 . 1 1 101 101 VAL CA C 113 64.791 64.791 66.317 -1.526 18522 9742 1 17 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.671 0.478 18522 9743 1 17 . 1 1 101 101 VAL H H 113 7.437 7.437 7.413 0.024 18522 9744 1 17 . 1 1 102 102 LEU N N 114 122.124 122.124 117.044 5.080 18522 9745 1 17 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.200 -0.167 18522 9746 1 17 . 1 1 102 102 LEU C C 114 178.506 178.506 178.528 -0.022 18522 9747 1 17 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.598 0.645 18522 9748 1 17 . 1 1 102 102 LEU CB C 114 42.028 42.028 42.031 -0.003 18522 9749 1 17 . 1 1 102 102 LEU H H 114 7.765 7.765 7.319 0.446 18522 9750 1 17 . 1 1 103 103 PHE N N 115 115.346 115.346 120.335 -4.989 18522 9751 1 17 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.292 -0.068 18522 9752 1 17 . 1 1 103 103 PHE C C 115 175.621 175.621 176.374 -0.753 18522 9753 1 17 . 1 1 103 103 PHE CA C 115 57.537 57.537 60.598 -3.061 18522 9754 1 17 . 1 1 103 103 PHE CB C 115 38.057 38.057 40.181 -2.124 18522 9755 1 17 . 1 1 103 103 PHE H H 115 7.805 7.805 7.674 0.131 18522 9756 1 17 . 1 1 104 104 GLN N N 116 119.021 119.021 118.628 0.393 18522 9757 1 17 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.240 0.167 18522 9758 1 17 . 1 1 104 104 GLN C C 116 176.402 176.402 175.233 1.169 18522 9759 1 17 . 1 1 104 104 GLN CA C 116 55.521 55.521 56.443 -0.922 18522 9760 1 17 . 1 1 104 104 GLN CB C 116 29.170 29.170 26.871 2.299 18522 9761 1 17 . 1 1 104 104 GLN H H 116 7.974 7.974 8.278 -0.304 18522 9762 1 17 . 1 1 105 105 GLY N N 117 108.868 108.868 107.642 1.226 18522 9763 1 17 . 1 1 105 105 GLY CA C 117 45.124 45.124 46.214 -1.090 18522 9764 1 17 . 1 1 105 105 GLY H H 117 8.195 8.195 8.434 -0.239 18522 9765 1 17 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.337 0.153 18522 9766 1 17 . 1 1 106 106 PRO C C 118 176.001 176.001 176.856 -0.855 18522 9767 1 17 . 1 1 106 106 PRO CA C 118 63.523 63.523 63.613 -0.090 18522 9768 1 17 . 1 1 106 106 PRO CB C 118 32.078 32.078 32.217 -0.139 18522 9769 1 17 . 1 1 107 107 GLN N N 119 126.950 126.950 115.607 11.343 18522 9770 1 17 . 1 1 107 107 GLN C C 119 181.211 181.211 177.687 3.524 18522 9771 1 17 . 1 1 107 107 GLN CA C 119 57.416 57.416 57.526 -0.110 18522 9772 1 17 . 1 1 107 107 GLN H H 119 8.079 8.079 8.288 -0.209 18522 9773 1 17 . 1 1 111 111 ARG C C 123 174.608 174.608 174.956 -0.348 18522 9774 1 17 . 1 1 111 111 ARG CA C 123 55.099 55.099 57.118 -2.019 18522 9775 1 17 . 1 1 112 112 HIS N N 124 122.212 122.212 115.722 6.490 18522 9776 1 17 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.082 0.636 18522 9777 1 17 . 1 1 112 112 HIS C C 124 176.040 176.040 174.978 1.062 18522 9778 1 17 . 1 1 112 112 HIS CA C 124 54.213 54.213 56.594 -2.381 18522 9779 1 17 . 1 1 112 112 HIS CB C 124 31.164 31.164 29.304 1.860 18522 9780 1 17 . 1 1 112 112 HIS H H 124 7.640 7.640 8.526 -0.886 18522 9781 1 17 . 1 1 113 113 TRP C C 125 176.168 176.168 174.751 1.417 18522 9782 1 17 . 1 1 114 114 LEU N N 126 121.893 121.893 122.514 -0.621 18522 9783 1 17 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.834 0.035 18522 9784 1 17 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.511 0.640 18522 9785 1 17 . 1 1 114 114 LEU CB C 126 45.144 45.144 45.577 -0.433 18522 9786 1 17 . 1 1 114 114 LEU H H 126 8.606 8.606 8.387 0.219 18522 9787 1 17 . 1 1 115 115 LYS N N 127 125.850 125.850 122.350 3.500 18522 9788 1 17 . 1 1 115 115 LYS HA H 127 4.203 4.203 4.700 -0.497 18522 9789 1 17 . 1 1 115 115 LYS C C 127 175.564 175.564 173.924 1.640 18522 9790 1 17 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.995 1.258 18522 9791 1 17 . 1 1 115 115 LYS CB C 127 33.406 33.406 34.964 -1.558 18522 9792 1 17 . 1 1 115 115 LYS H H 127 8.647 8.647 8.182 0.465 18522 9793 1 18 . 1 1 3 3 PRO C C 15 177.225 177.225 177.555 -0.330 18522 9794 1 18 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.564 0.944 18522 9795 1 18 . 1 1 3 3 PRO CB C 15 32.090 32.090 32.536 -0.446 18522 9796 1 18 . 1 1 4 4 GLY N N 16 108.829 108.829 110.161 -1.332 18522 9797 1 18 . 1 1 4 4 GLY C C 16 173.398 173.398 173.593 -0.195 18522 9798 1 18 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.575 0.553 18522 9799 1 18 . 1 1 4 4 GLY H H 16 8.489 8.489 8.464 0.025 18522 9800 1 18 . 1 1 5 5 ILE N N 17 121.763 121.763 118.549 3.214 18522 9801 1 18 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.795 -0.241 18522 9802 1 18 . 1 1 5 5 ILE C C 17 174.332 174.332 174.112 0.220 18522 9803 1 18 . 1 1 5 5 ILE CA C 17 58.245 58.245 57.746 0.499 18522 9804 1 18 . 1 1 5 5 ILE CB C 17 38.762 38.762 40.630 -1.867 18522 9805 1 18 . 1 1 5 5 ILE H H 17 8.014 8.014 7.622 0.392 18522 9806 1 18 . 1 1 6 6 PRO C C 18 176.437 176.437 176.286 0.151 18522 9807 1 18 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.778 -2.111 18522 9808 1 18 . 1 1 6 6 PRO CB C 18 32.469 32.469 31.953 0.516 18522 9809 1 18 . 1 1 7 7 VAL N N 19 123.849 123.849 119.045 4.804 18522 9810 1 18 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.383 0.167 18522 9811 1 18 . 1 1 7 7 VAL C C 19 174.453 174.453 173.382 1.071 18522 9812 1 18 . 1 1 7 7 VAL CA C 19 59.846 59.846 59.596 0.249 18522 9813 1 18 . 1 1 7 7 VAL CB C 19 33.510 33.510 32.102 1.409 18522 9814 1 18 . 1 1 7 7 VAL H H 19 8.754 8.754 7.880 0.874 18522 9815 1 18 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.577 0.761 18522 9816 1 18 . 1 1 8 8 PRO C C 20 177.585 177.585 176.392 1.193 18522 9817 1 18 . 1 1 8 8 PRO CA C 20 62.406 62.406 61.726 0.680 18522 9818 1 18 . 1 1 8 8 PRO CB C 20 32.891 32.891 31.877 1.014 18522 9819 1 18 . 1 1 9 9 GLY N N 21 108.426 108.426 113.056 -4.630 18522 9820 1 18 . 1 1 9 9 GLY C C 21 171.443 171.443 172.962 -1.519 18522 9821 1 18 . 1 1 9 9 GLY CA C 21 44.581 44.581 44.546 0.035 18522 9822 1 18 . 1 1 9 9 GLY H H 21 8.258 8.258 7.718 0.540 18522 9823 1 18 . 1 1 10 10 LYS N N 22 117.372 117.372 118.912 -1.540 18522 9824 1 18 . 1 1 10 10 LYS HA H 22 4.039 4.039 3.867 0.172 18522 9825 1 18 . 1 1 10 10 LYS C C 22 174.463 174.463 175.466 -1.003 18522 9826 1 18 . 1 1 10 10 LYS CA C 22 55.263 55.263 57.172 -1.909 18522 9827 1 18 . 1 1 10 10 LYS CB C 22 35.227 35.227 31.317 3.910 18522 9828 1 18 . 1 1 10 10 LYS H H 22 8.175 8.175 8.160 0.015 18522 9829 1 18 . 1 1 11 11 VAL N N 23 120.387 120.387 118.070 2.317 18522 9830 1 18 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.520 0.188 18522 9831 1 18 . 1 1 11 11 VAL C C 23 171.873 171.873 174.376 -2.503 18522 9832 1 18 . 1 1 11 11 VAL CA C 23 59.866 59.866 59.962 -0.096 18522 9833 1 18 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.304 -0.035 18522 9834 1 18 . 1 1 11 11 VAL H H 23 8.862 8.862 7.925 0.937 18522 9835 1 18 . 1 1 12 12 THR N N 24 125.797 125.797 117.771 8.026 18522 9836 1 18 . 1 1 12 12 THR HA H 24 5.121 5.121 4.595 0.526 18522 9837 1 18 . 1 1 12 12 THR C C 24 173.407 173.407 173.334 0.073 18522 9838 1 18 . 1 1 12 12 THR CA C 24 62.115 62.115 60.405 1.710 18522 9839 1 18 . 1 1 12 12 THR CB C 24 69.606 69.606 69.877 -0.271 18522 9840 1 18 . 1 1 12 12 THR H H 24 8.859 8.859 8.251 0.608 18522 9841 1 18 . 1 1 13 13 LEU N N 25 127.960 127.960 127.088 0.872 18522 9842 1 18 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.817 -0.008 18522 9843 1 18 . 1 1 13 13 LEU C C 25 175.029 175.029 175.092 -0.063 18522 9844 1 18 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.500 0.123 18522 9845 1 18 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.179 1.063 18522 9846 1 18 . 1 1 13 13 LEU H H 25 9.258 9.258 8.089 1.169 18522 9847 1 18 . 1 1 14 14 GLN N N 26 120.858 120.858 117.289 3.569 18522 9848 1 18 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.411 0.071 18522 9849 1 18 . 1 1 14 14 GLN C C 26 174.515 174.515 174.955 -0.440 18522 9850 1 18 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.298 0.278 18522 9851 1 18 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.937 -2.421 18522 9852 1 18 . 1 1 14 14 GLN H H 26 8.530 8.530 8.109 0.421 18522 9853 1 18 . 1 1 15 15 LYS N N 27 119.583 119.583 121.575 -1.992 18522 9854 1 18 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.285 -0.105 18522 9855 1 18 . 1 1 15 15 LYS C C 27 177.468 177.468 176.918 0.550 18522 9856 1 18 . 1 1 15 15 LYS CA C 27 55.956 55.956 57.237 -1.281 18522 9857 1 18 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.375 1.724 18522 9858 1 18 . 1 1 15 15 LYS H H 27 8.099 8.099 8.444 -0.345 18522 9859 1 18 . 1 1 16 16 ASP N N 28 121.439 121.439 121.686 -0.247 18522 9860 1 18 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.630 -0.040 18522 9861 1 18 . 1 1 16 16 ASP C C 28 178.392 178.392 177.801 0.591 18522 9862 1 18 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.570 -1.144 18522 9863 1 18 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.715 -1.338 18522 9864 1 18 . 1 1 16 16 ASP H H 28 8.888 8.888 8.634 0.254 18522 9865 1 18 . 1 1 17 17 ALA N N 29 119.578 119.578 123.507 -3.929 18522 9866 1 18 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.068 0.120 18522 9867 1 18 . 1 1 17 17 ALA C C 29 178.763 178.763 178.236 0.527 18522 9868 1 18 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.531 -0.097 18522 9869 1 18 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.761 -0.468 18522 9870 1 18 . 1 1 17 17 ALA H H 29 8.392 8.392 8.710 -0.318 18522 9871 1 18 . 1 1 18 18 GLN N N 30 117.564 117.564 118.365 -0.801 18522 9872 1 18 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.368 0.031 18522 9873 1 18 . 1 1 18 18 GLN C C 30 175.168 175.168 175.341 -0.173 18522 9874 1 18 . 1 1 18 18 GLN CA C 30 55.339 55.339 54.804 0.535 18522 9875 1 18 . 1 1 18 18 GLN CB C 30 28.589 28.589 28.943 -0.354 18522 9876 1 18 . 1 1 18 18 GLN H H 30 8.353 8.353 7.981 0.372 18522 9877 1 18 . 1 1 19 19 ASN N N 31 115.365 115.365 115.377 -0.012 18522 9878 1 18 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.353 -0.038 18522 9879 1 18 . 1 1 19 19 ASN C C 31 174.043 174.043 172.902 1.141 18522 9880 1 18 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.477 -0.174 18522 9881 1 18 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.405 0.205 18522 9882 1 18 . 1 1 19 19 ASN H H 31 8.521 8.521 8.228 0.293 18522 9883 1 18 . 1 1 20 20 LEU N N 32 118.660 118.660 111.360 7.300 18522 9884 1 18 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.836 0.064 18522 9885 1 18 . 1 1 20 20 LEU C C 32 178.117 178.117 176.654 1.463 18522 9886 1 18 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.135 0.823 18522 9887 1 18 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.900 0.874 18522 9888 1 18 . 1 1 20 20 LEU H H 32 8.155 8.155 7.361 0.794 18522 9889 1 18 . 1 1 21 21 ILE N N 33 116.785 116.785 116.551 0.234 18522 9890 1 18 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.384 0.290 18522 9891 1 18 . 1 1 21 21 ILE C C 33 176.185 176.185 176.425 -0.240 18522 9892 1 18 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.469 1.133 18522 9893 1 18 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.279 -0.263 18522 9894 1 18 . 1 1 21 21 ILE H H 33 11.488 11.488 8.376 3.112 18522 9895 1 18 . 1 1 22 22 GLY N N 34 111.234 111.234 108.611 2.623 18522 9896 1 18 . 1 1 22 22 GLY C C 34 173.993 173.993 173.377 0.616 18522 9897 1 18 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.230 0.750 18522 9898 1 18 . 1 1 22 22 GLY H H 34 9.854 9.854 8.699 1.155 18522 9899 1 18 . 1 1 23 23 ILE N N 35 111.117 111.117 113.318 -2.201 18522 9900 1 18 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.328 0.207 18522 9901 1 18 . 1 1 23 23 ILE C C 35 175.033 175.033 173.856 1.177 18522 9902 1 18 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.870 0.545 18522 9903 1 18 . 1 1 23 23 ILE CB C 35 41.577 41.577 42.009 -0.432 18522 9904 1 18 . 1 1 23 23 ILE H H 35 7.835 7.835 7.217 0.618 18522 9905 1 18 . 1 1 24 24 SER N N 36 114.908 114.908 116.081 -1.173 18522 9906 1 18 . 1 1 24 24 SER HA H 36 4.232 4.232 5.298 -1.066 18522 9907 1 18 . 1 1 24 24 SER C C 36 174.735 174.735 172.995 1.740 18522 9908 1 18 . 1 1 24 24 SER CA C 36 56.121 56.121 57.158 -1.037 18522 9909 1 18 . 1 1 24 24 SER CB C 36 66.097 66.097 66.132 -0.035 18522 9910 1 18 . 1 1 24 24 SER H H 36 8.623 8.623 8.388 0.235 18522 9911 1 18 . 1 1 25 25 ILE N N 37 117.739 117.739 126.113 -8.374 18522 9912 1 18 . 1 1 25 25 ILE C C 37 174.340 174.340 175.970 -1.630 18522 9913 1 18 . 1 1 25 25 ILE CA C 37 59.123 59.123 59.070 0.053 18522 9914 1 18 . 1 1 25 25 ILE CB C 37 41.637 41.637 38.468 3.169 18522 9915 1 18 . 1 1 25 25 ILE H H 37 9.130 9.130 8.365 0.765 18522 9916 1 18 . 1 1 26 26 GLY N N 38 108.069 108.069 115.057 -6.988 18522 9917 1 18 . 1 1 26 26 GLY CA C 38 44.112 44.112 44.194 -0.082 18522 9918 1 18 . 1 1 26 26 GLY H H 38 8.841 8.841 9.080 -0.239 18522 9919 1 18 . 1 1 27 27 GLY N N 39 109.016 109.016 106.625 2.391 18522 9920 1 18 . 1 1 27 27 GLY C C 39 173.956 173.956 174.067 -0.111 18522 9921 1 18 . 1 1 27 27 GLY H H 39 8.187 8.187 8.213 -0.026 18522 9922 1 18 . 1 1 28 28 GLY N N 40 111.783 111.783 108.837 2.946 18522 9923 1 18 . 1 1 28 28 GLY C C 40 174.255 174.255 172.515 1.740 18522 9924 1 18 . 1 1 28 28 GLY CA C 40 47.098 47.098 44.385 2.713 18522 9925 1 18 . 1 1 28 28 GLY H H 40 8.275 8.275 7.877 0.398 18522 9926 1 18 . 1 1 29 29 ALA N N 41 123.128 123.128 120.227 2.901 18522 9927 1 18 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.152 0.407 18522 9928 1 18 . 1 1 29 29 ALA CA C 41 51.073 51.073 52.758 -1.685 18522 9929 1 18 . 1 1 29 29 ALA CB C 41 21.926 21.926 19.573 2.353 18522 9930 1 18 . 1 1 29 29 ALA H H 41 8.012 8.012 7.673 0.339 18522 9931 1 18 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.798 -0.249 18522 9932 1 18 . 1 1 31 31 TYR CA C 43 57.147 57.147 57.938 -0.791 18522 9933 1 18 . 1 1 31 31 TYR CB C 43 37.495 37.495 39.146 -1.651 18522 9934 1 18 . 1 1 32 32 CYS N N 44 119.332 119.332 117.823 1.509 18522 9935 1 18 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.676 0.183 18522 9936 1 18 . 1 1 32 32 CYS CA C 44 57.406 57.406 59.350 -1.944 18522 9937 1 18 . 1 1 32 32 CYS CB C 44 27.673 27.673 27.438 0.235 18522 9938 1 18 . 1 1 32 32 CYS H H 44 7.504 7.504 7.908 -0.404 18522 9939 1 18 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.483 -0.070 18522 9940 1 18 . 1 1 33 33 PRO CA C 45 64.885 64.885 62.218 2.667 18522 9941 1 18 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.090 0.228 18522 9942 1 18 . 1 1 34 34 CYS N N 46 117.327 117.327 119.327 -2.000 18522 9943 1 18 . 1 1 34 34 CYS C C 46 172.064 172.064 174.524 -2.460 18522 9944 1 18 . 1 1 34 34 CYS CA C 46 60.066 60.066 58.279 1.788 18522 9945 1 18 . 1 1 34 34 CYS CB C 46 28.715 28.715 28.551 0.164 18522 9946 1 18 . 1 1 34 34 CYS H H 46 7.973 7.973 8.362 -0.389 18522 9947 1 18 . 1 1 35 35 LEU N N 47 124.270 124.270 123.797 0.473 18522 9948 1 18 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.104 0.824 18522 9949 1 18 . 1 1 35 35 LEU C C 47 175.076 175.076 176.944 -1.868 18522 9950 1 18 . 1 1 35 35 LEU CA C 47 53.278 53.278 54.953 -1.675 18522 9951 1 18 . 1 1 35 35 LEU CB C 47 44.321 44.321 42.410 1.911 18522 9952 1 18 . 1 1 35 35 LEU H H 47 8.629 8.629 8.293 0.336 18522 9953 1 18 . 1 1 36 36 TYR N N 48 119.326 119.326 118.773 0.553 18522 9954 1 18 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.138 1.117 18522 9955 1 18 . 1 1 36 36 TYR C C 48 175.766 175.766 176.028 -0.262 18522 9956 1 18 . 1 1 36 36 TYR CA C 48 56.696 56.696 61.607 -4.911 18522 9957 1 18 . 1 1 36 36 TYR CB C 48 42.590 42.590 36.645 5.945 18522 9958 1 18 . 1 1 36 36 TYR H H 48 8.761 8.761 8.096 0.665 18522 9959 1 18 . 1 1 37 37 ILE N N 49 120.259 120.259 121.878 -1.619 18522 9960 1 18 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.615 -0.400 18522 9961 1 18 . 1 1 37 37 ILE C C 49 177.429 177.429 176.915 0.514 18522 9962 1 18 . 1 1 37 37 ILE CA C 49 62.456 62.456 60.897 1.559 18522 9963 1 18 . 1 1 37 37 ILE CB C 49 37.352 37.352 38.726 -1.374 18522 9964 1 18 . 1 1 37 37 ILE H H 49 8.959 8.959 7.818 1.141 18522 9965 1 18 . 1 1 38 38 VAL HA H 50 3.937 3.937 4.201 -0.264 18522 9966 1 18 . 1 1 38 38 VAL C C 50 174.408 174.408 174.968 -0.560 18522 9967 1 18 . 1 1 38 38 VAL CA C 50 62.259 62.259 61.770 0.489 18522 9968 1 18 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.354 -0.770 18522 9969 1 18 . 1 1 39 39 GLN N N 51 116.821 116.821 117.832 -1.011 18522 9970 1 18 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.350 -0.247 18522 9971 1 18 . 1 1 39 39 GLN C C 51 172.856 172.856 172.900 -0.044 18522 9972 1 18 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.120 0.007 18522 9973 1 18 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.208 0.168 18522 9974 1 18 . 1 1 39 39 GLN H H 51 6.967 6.967 7.325 -0.358 18522 9975 1 18 . 1 1 40 40 VAL N N 52 123.482 123.482 121.877 1.605 18522 9976 1 18 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.629 -0.352 18522 9977 1 18 . 1 1 40 40 VAL C C 52 176.198 176.198 174.299 1.899 18522 9978 1 18 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.597 1.977 18522 9979 1 18 . 1 1 40 40 VAL CB C 52 32.875 32.875 34.710 -1.835 18522 9980 1 18 . 1 1 40 40 VAL H H 52 8.447 8.447 8.121 0.326 18522 9981 1 18 . 1 1 41 41 PHE N N 53 128.296 128.296 124.440 3.856 18522 9982 1 18 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.744 -0.344 18522 9983 1 18 . 1 1 41 41 PHE C C 53 175.299 175.299 175.029 0.270 18522 9984 1 18 . 1 1 41 41 PHE CA C 53 58.494 58.494 58.086 0.408 18522 9985 1 18 . 1 1 41 41 PHE CB C 53 39.561 39.561 39.666 -0.105 18522 9986 1 18 . 1 1 41 41 PHE H H 53 8.707 8.707 8.193 0.514 18522 9987 1 18 . 1 1 42 42 ASP N N 54 122.696 122.696 117.506 5.190 18522 9988 1 18 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.692 -0.420 18522 9989 1 18 . 1 1 42 42 ASP C C 54 176.837 176.837 175.890 0.947 18522 9990 1 18 . 1 1 42 42 ASP CA C 54 55.291 55.291 55.144 0.147 18522 9991 1 18 . 1 1 42 42 ASP CB C 54 41.093 41.093 42.637 -1.544 18522 9992 1 18 . 1 1 42 42 ASP H H 54 8.901 8.901 8.401 0.500 18522 9993 1 18 . 1 1 43 43 ASN N N 55 113.923 113.923 117.738 -3.815 18522 9994 1 18 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.795 -0.537 18522 9995 1 18 . 1 1 43 43 ASN C C 55 173.714 173.714 174.365 -0.651 18522 9996 1 18 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.370 1.588 18522 9997 1 18 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.325 -2.175 18522 9998 1 18 . 1 1 43 43 ASN H H 55 9.319 9.319 8.267 1.052 18522 9999 1 18 . 1 1 44 44 THR N N 56 108.020 108.020 111.079 -3.059 18522 10000 1 18 . 1 1 44 44 THR HA H 56 5.377 5.377 4.842 0.535 18522 10001 1 18 . 1 1 44 44 THR CA C 56 59.712 59.712 59.356 0.356 18522 10002 1 18 . 1 1 44 44 THR CB C 56 69.529 69.529 70.148 -0.619 18522 10003 1 18 . 1 1 44 44 THR H H 56 7.149 7.149 7.535 -0.386 18522 10004 1 18 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.112 0.192 18522 10005 1 18 . 1 1 45 45 PRO C C 57 180.141 180.141 178.124 2.017 18522 10006 1 18 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.573 0.517 18522 10007 1 18 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.456 1.738 18522 10008 1 18 . 1 1 46 46 ALA N N 58 116.854 116.854 120.169 -3.315 18522 10009 1 18 . 1 1 46 46 ALA HA H 58 4.035 4.035 3.978 0.057 18522 10010 1 18 . 1 1 46 46 ALA C C 58 180.647 180.647 179.285 1.362 18522 10011 1 18 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.356 -0.161 18522 10012 1 18 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.083 0.797 18522 10013 1 18 . 1 1 46 46 ALA H H 58 8.938 8.938 7.701 1.237 18522 10014 1 18 . 1 1 47 47 ALA N N 59 123.250 123.250 120.829 2.421 18522 10015 1 18 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.045 -0.015 18522 10016 1 18 . 1 1 47 47 ALA C C 59 179.852 179.852 179.496 0.356 18522 10017 1 18 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.532 0.406 18522 10018 1 18 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.589 1.099 18522 10019 1 18 . 1 1 47 47 ALA H H 59 7.658 7.658 7.457 0.201 18522 10020 1 18 . 1 1 48 48 LEU N N 60 118.654 118.654 119.009 -0.355 18522 10021 1 18 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.116 -0.090 18522 10022 1 18 . 1 1 48 48 LEU C C 60 179.238 179.238 178.277 0.961 18522 10023 1 18 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.032 -0.771 18522 10024 1 18 . 1 1 48 48 LEU CB C 60 41.445 41.445 41.027 0.418 18522 10025 1 18 . 1 1 48 48 LEU H H 60 8.636 8.636 8.494 0.142 18522 10026 1 18 . 1 1 49 49 ASP N N 61 117.382 117.382 118.212 -0.830 18522 10027 1 18 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.647 -0.226 18522 10028 1 18 . 1 1 49 49 ASP C C 61 177.668 177.668 177.771 -0.103 18522 10029 1 18 . 1 1 49 49 ASP CA C 61 57.087 57.087 55.434 1.653 18522 10030 1 18 . 1 1 49 49 ASP CB C 61 44.478 44.478 42.363 2.115 18522 10031 1 18 . 1 1 49 49 ASP H H 61 7.665 7.665 7.785 -0.120 18522 10032 1 18 . 1 1 50 50 GLY N N 62 103.228 103.228 108.131 -4.903 18522 10033 1 18 . 1 1 50 50 GLY C C 62 174.776 174.776 175.386 -0.610 18522 10034 1 18 . 1 1 50 50 GLY CA C 62 46.533 46.533 46.314 0.219 18522 10035 1 18 . 1 1 50 50 GLY H H 62 7.216 7.216 8.407 -1.191 18522 10036 1 18 . 1 1 51 51 THR N N 63 117.230 117.230 111.393 5.837 18522 10037 1 18 . 1 1 51 51 THR HA H 63 3.907 3.907 4.131 -0.224 18522 10038 1 18 . 1 1 51 51 THR C C 63 175.961 175.961 174.364 1.597 18522 10039 1 18 . 1 1 51 51 THR CA C 63 66.478 66.478 62.478 3.999 18522 10040 1 18 . 1 1 51 51 THR CB C 63 68.268 68.268 69.383 -1.115 18522 10041 1 18 . 1 1 51 51 THR H H 63 8.319 8.319 8.199 0.120 18522 10042 1 18 . 1 1 52 52 VAL N N 64 113.826 113.826 124.233 -10.407 18522 10043 1 18 . 1 1 52 52 VAL HA H 64 3.950 3.950 3.691 0.259 18522 10044 1 18 . 1 1 52 52 VAL C C 64 173.883 173.883 175.003 -1.120 18522 10045 1 18 . 1 1 52 52 VAL CA C 64 60.708 60.708 61.890 -1.182 18522 10046 1 18 . 1 1 52 52 VAL CB C 64 33.079 33.079 29.943 3.136 18522 10047 1 18 . 1 1 52 52 VAL H H 64 8.147 8.147 7.690 0.457 18522 10048 1 18 . 1 1 53 53 ALA N N 65 123.521 123.521 124.829 -1.308 18522 10049 1 18 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.384 0.030 18522 10050 1 18 . 1 1 53 53 ALA C C 65 175.247 175.247 176.367 -1.120 18522 10051 1 18 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.985 -0.545 18522 10052 1 18 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.920 2.346 18522 10053 1 18 . 1 1 53 53 ALA H H 65 8.633 8.633 7.845 0.788 18522 10054 1 18 . 1 1 54 54 ALA N N 66 120.818 120.818 122.412 -1.594 18522 10055 1 18 . 1 1 54 54 ALA HA H 66 3.720 3.720 3.848 -0.128 18522 10056 1 18 . 1 1 54 54 ALA C C 66 178.411 178.411 177.632 0.779 18522 10057 1 18 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.266 -0.250 18522 10058 1 18 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.983 -0.143 18522 10059 1 18 . 1 1 54 54 ALA H H 66 8.451 8.451 8.417 0.034 18522 10060 1 18 . 1 1 55 55 GLY N N 67 112.260 112.260 113.536 -1.276 18522 10061 1 18 . 1 1 55 55 GLY C C 67 173.296 173.296 173.885 -0.589 18522 10062 1 18 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.633 0.392 18522 10063 1 18 . 1 1 55 55 GLY H H 67 9.600 9.600 8.326 1.274 18522 10064 1 18 . 1 1 56 56 ASP N N 68 121.293 121.293 122.730 -1.437 18522 10065 1 18 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.653 0.208 18522 10066 1 18 . 1 1 56 56 ASP C C 68 174.937 174.937 175.469 -0.532 18522 10067 1 18 . 1 1 56 56 ASP CA C 68 55.641 55.641 54.843 0.798 18522 10068 1 18 . 1 1 56 56 ASP CB C 68 40.696 40.696 41.706 -1.010 18522 10069 1 18 . 1 1 56 56 ASP H H 68 8.043 8.043 7.646 0.397 18522 10070 1 18 . 1 1 57 57 GLU N N 69 122.814 122.814 123.428 -0.614 18522 10071 1 18 . 1 1 57 57 GLU C C 69 177.202 177.202 176.561 0.641 18522 10072 1 18 . 1 1 57 57 GLU CA C 69 54.472 54.472 55.554 -1.082 18522 10073 1 18 . 1 1 57 57 GLU CB C 69 32.800 32.800 29.501 3.299 18522 10074 1 18 . 1 1 57 57 GLU H H 69 8.455 8.455 8.489 -0.034 18522 10075 1 18 . 1 1 58 58 ILE N N 70 125.862 125.862 126.152 -0.290 18522 10076 1 18 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.302 0.224 18522 10077 1 18 . 1 1 58 58 ILE C C 70 175.035 175.035 175.807 -0.772 18522 10078 1 18 . 1 1 58 58 ILE CA C 70 60.918 60.918 62.017 -1.099 18522 10079 1 18 . 1 1 58 58 ILE CB C 70 39.236 39.236 37.531 1.705 18522 10080 1 18 . 1 1 58 58 ILE H H 70 8.619 8.619 8.230 0.389 18522 10081 1 18 . 1 1 59 59 THR N N 71 115.507 115.507 122.892 -7.385 18522 10082 1 18 . 1 1 59 59 THR HA H 71 4.513 4.513 3.824 0.689 18522 10083 1 18 . 1 1 59 59 THR C C 71 176.425 176.425 173.785 2.640 18522 10084 1 18 . 1 1 59 59 THR CA C 71 61.158 61.158 61.000 0.158 18522 10085 1 18 . 1 1 59 59 THR CB C 71 69.604 69.604 69.466 0.138 18522 10086 1 18 . 1 1 59 59 THR H H 71 9.242 9.242 8.367 0.875 18522 10087 1 18 . 1 1 60 60 GLY N N 72 111.789 111.789 109.626 2.163 18522 10088 1 18 . 1 1 60 60 GLY C C 72 170.981 170.981 171.903 -0.922 18522 10089 1 18 . 1 1 60 60 GLY CA C 72 46.554 46.554 44.604 1.950 18522 10090 1 18 . 1 1 60 60 GLY H H 72 7.883 7.883 7.883 -0.000 18522 10091 1 18 . 1 1 61 61 VAL N N 73 119.277 119.277 123.742 -4.465 18522 10092 1 18 . 1 1 61 61 VAL C C 73 175.951 175.951 175.504 0.447 18522 10093 1 18 . 1 1 61 61 VAL CA C 73 60.982 60.982 60.315 0.667 18522 10094 1 18 . 1 1 61 61 VAL CB C 73 36.197 36.197 33.944 2.253 18522 10095 1 18 . 1 1 61 61 VAL H H 73 8.424 8.424 8.868 -0.444 18522 10096 1 18 . 1 1 62 62 ASN N N 74 127.731 127.731 126.938 0.793 18522 10097 1 18 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.411 0.109 18522 10098 1 18 . 1 1 62 62 ASN C C 74 174.878 174.878 174.582 0.296 18522 10099 1 18 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.674 -0.256 18522 10100 1 18 . 1 1 62 62 ASN CB C 74 36.655 36.655 36.721 -0.066 18522 10101 1 18 . 1 1 62 62 ASN H H 74 10.384 10.384 8.979 1.405 18522 10102 1 18 . 1 1 63 63 GLY N N 75 104.633 104.633 103.037 1.596 18522 10103 1 18 . 1 1 63 63 GLY C C 75 173.610 173.610 172.970 0.640 18522 10104 1 18 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.542 0.719 18522 10105 1 18 . 1 1 63 63 GLY H H 75 8.926 8.926 7.968 0.958 18522 10106 1 18 . 1 1 64 64 ARG N N 76 120.451 120.451 120.977 -0.526 18522 10107 1 18 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.558 -0.057 18522 10108 1 18 . 1 1 64 64 ARG C C 76 175.085 175.085 175.488 -0.403 18522 10109 1 18 . 1 1 64 64 ARG CA C 76 54.252 54.252 53.812 0.440 18522 10110 1 18 . 1 1 64 64 ARG CB C 76 31.482 31.482 32.020 -0.538 18522 10111 1 18 . 1 1 64 64 ARG H H 76 7.753 7.753 7.907 -0.154 18522 10112 1 18 . 1 1 65 65 SER N N 77 116.586 116.586 118.599 -2.013 18522 10113 1 18 . 1 1 65 65 SER HA H 77 4.483 4.483 4.624 -0.141 18522 10114 1 18 . 1 1 65 65 SER C C 77 176.953 176.953 176.259 0.694 18522 10115 1 18 . 1 1 65 65 SER CA C 77 58.292 58.292 58.855 -0.563 18522 10116 1 18 . 1 1 65 65 SER CB C 77 63.643 63.643 63.306 0.337 18522 10117 1 18 . 1 1 65 65 SER H H 77 8.555 8.555 8.898 -0.343 18522 10118 1 18 . 1 1 66 66 ILE N N 78 116.618 116.618 122.265 -5.647 18522 10119 1 18 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.155 0.265 18522 10120 1 18 . 1 1 66 66 ILE C C 78 175.072 175.072 177.276 -2.204 18522 10121 1 18 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.790 -2.668 18522 10122 1 18 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.044 -0.286 18522 10123 1 18 . 1 1 66 66 ILE H H 78 7.599 7.599 8.683 -1.084 18522 10124 1 18 . 1 1 67 67 LYS N N 79 123.287 123.287 122.633 0.654 18522 10125 1 18 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.114 -0.065 18522 10126 1 18 . 1 1 67 67 LYS C C 79 178.333 178.333 178.122 0.211 18522 10127 1 18 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.854 -0.533 18522 10128 1 18 . 1 1 67 67 LYS CB C 79 31.635 31.635 31.996 -0.361 18522 10129 1 18 . 1 1 67 67 LYS H H 79 7.898 7.898 8.349 -0.451 18522 10130 1 18 . 1 1 68 68 GLY N N 80 114.933 114.933 106.104 8.829 18522 10131 1 18 . 1 1 68 68 GLY C C 80 174.385 174.385 174.877 -0.492 18522 10132 1 18 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.571 -0.053 18522 10133 1 18 . 1 1 68 68 GLY H H 80 8.999 8.999 8.365 0.634 18522 10134 1 18 . 1 1 69 69 LYS N N 81 119.403 119.403 120.156 -0.753 18522 10135 1 18 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.590 -0.547 18522 10136 1 18 . 1 1 69 69 LYS C C 81 177.064 177.064 176.096 0.968 18522 10137 1 18 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.380 -0.658 18522 10138 1 18 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.806 -0.246 18522 10139 1 18 . 1 1 69 69 LYS H H 81 7.845 7.845 7.795 0.050 18522 10140 1 18 . 1 1 70 70 THR N N 82 112.066 112.066 111.184 0.882 18522 10141 1 18 . 1 1 70 70 THR HA H 82 4.666 4.666 4.505 0.161 18522 10142 1 18 . 1 1 70 70 THR C C 82 175.955 175.955 173.932 2.023 18522 10143 1 18 . 1 1 70 70 THR CA C 82 60.438 60.438 60.894 -0.456 18522 10144 1 18 . 1 1 70 70 THR CB C 82 71.629 71.629 69.436 2.193 18522 10145 1 18 . 1 1 70 70 THR H H 82 9.153 9.153 7.730 1.423 18522 10146 1 18 . 1 1 71 71 LYS N N 83 118.730 118.730 122.846 -4.116 18522 10147 1 18 . 1 1 71 71 LYS HA H 83 3.870 3.870 4.025 -0.155 18522 10148 1 18 . 1 1 71 71 LYS C C 83 177.464 177.464 178.087 -0.623 18522 10149 1 18 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.899 0.458 18522 10150 1 18 . 1 1 71 71 LYS CB C 83 31.350 31.350 32.315 -0.965 18522 10151 1 18 . 1 1 71 71 LYS H H 83 8.969 8.969 8.789 0.180 18522 10152 1 18 . 1 1 72 72 VAL N N 84 117.444 117.444 119.050 -1.606 18522 10153 1 18 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.767 -0.134 18522 10154 1 18 . 1 1 72 72 VAL C C 84 178.315 178.315 177.524 0.791 18522 10155 1 18 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.430 0.649 18522 10156 1 18 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.804 0.287 18522 10157 1 18 . 1 1 72 72 VAL H H 84 7.631 7.631 8.326 -0.695 18522 10158 1 18 . 1 1 73 73 GLU N N 85 120.890 120.890 119.086 1.804 18522 10159 1 18 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.105 -0.141 18522 10160 1 18 . 1 1 73 73 GLU C C 85 179.971 179.971 178.991 0.980 18522 10161 1 18 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.641 -0.325 18522 10162 1 18 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.570 0.784 18522 10163 1 18 . 1 1 73 73 GLU H H 85 7.617 7.617 7.545 0.072 18522 10164 1 18 . 1 1 74 74 VAL N N 86 121.246 121.246 118.523 2.723 18522 10165 1 18 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.657 -0.027 18522 10166 1 18 . 1 1 74 74 VAL C C 86 177.217 177.217 177.512 -0.295 18522 10167 1 18 . 1 1 74 74 VAL CA C 86 66.678 66.678 66.222 0.456 18522 10168 1 18 . 1 1 74 74 VAL CB C 86 31.307 31.307 30.511 0.796 18522 10169 1 18 . 1 1 74 74 VAL H H 86 8.368 8.368 8.518 -0.150 18522 10170 1 18 . 1 1 75 75 ALA N N 87 122.148 122.148 122.409 -0.261 18522 10171 1 18 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.910 0.037 18522 10172 1 18 . 1 1 75 75 ALA C C 87 179.545 179.545 179.344 0.201 18522 10173 1 18 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.471 0.380 18522 10174 1 18 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.948 0.543 18522 10175 1 18 . 1 1 75 75 ALA H H 87 8.577 8.577 7.784 0.793 18522 10176 1 18 . 1 1 76 76 LYS N N 88 117.733 117.733 119.225 -1.492 18522 10177 1 18 . 1 1 76 76 LYS HA H 88 4.051 4.051 4.005 0.046 18522 10178 1 18 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.408 -0.015 18522 10179 1 18 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.423 -0.365 18522 10180 1 18 . 1 1 76 76 LYS H H 88 7.854 7.854 7.323 0.531 18522 10181 1 18 . 1 1 77 77 MET N N 89 117.676 117.676 118.359 -0.683 18522 10182 1 18 . 1 1 77 77 MET HA H 89 4.048 4.048 4.122 -0.074 18522 10183 1 18 . 1 1 77 77 MET C C 89 178.791 178.791 178.905 -0.114 18522 10184 1 18 . 1 1 77 77 MET CA C 89 59.128 59.128 57.947 1.181 18522 10185 1 18 . 1 1 77 77 MET CB C 89 33.801 33.801 31.623 2.178 18522 10186 1 18 . 1 1 77 77 MET H H 89 7.759 7.759 8.398 -0.639 18522 10187 1 18 . 1 1 78 78 ILE N N 90 117.305 117.305 119.853 -2.548 18522 10188 1 18 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.966 -0.376 18522 10189 1 18 . 1 1 78 78 ILE C C 90 178.658 178.658 178.797 -0.139 18522 10190 1 18 . 1 1 78 78 ILE CA C 90 65.482 65.482 64.198 1.284 18522 10191 1 18 . 1 1 78 78 ILE CB C 90 38.845 38.845 36.769 2.076 18522 10192 1 18 . 1 1 78 78 ILE H H 90 7.972 7.972 8.638 -0.666 18522 10193 1 18 . 1 1 79 79 GLN N N 91 120.935 120.935 118.398 2.537 18522 10194 1 18 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.196 -0.198 18522 10195 1 18 . 1 1 79 79 GLN C C 91 178.274 178.274 178.739 -0.465 18522 10196 1 18 . 1 1 79 79 GLN CA C 91 59.151 59.151 58.349 0.802 18522 10197 1 18 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.675 0.259 18522 10198 1 18 . 1 1 79 79 GLN H H 91 8.826 8.826 8.287 0.539 18522 10199 1 18 . 1 1 80 80 GLU N N 92 115.213 115.213 120.222 -5.009 18522 10200 1 18 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.154 -0.093 18522 10201 1 18 . 1 1 80 80 GLU C C 92 176.824 176.824 178.674 -1.850 18522 10202 1 18 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.095 -1.089 18522 10203 1 18 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.909 -0.019 18522 10204 1 18 . 1 1 80 80 GLU H H 92 8.020 8.020 8.296 -0.276 18522 10205 1 18 . 1 1 81 81 VAL N N 93 119.047 119.047 117.586 1.461 18522 10206 1 18 . 1 1 81 81 VAL HA H 93 3.930 3.930 4.109 -0.179 18522 10207 1 18 . 1 1 81 81 VAL C C 93 176.016 176.016 174.972 1.044 18522 10208 1 18 . 1 1 81 81 VAL CA C 93 63.153 63.153 61.135 2.018 18522 10209 1 18 . 1 1 81 81 VAL CB C 93 32.154 32.154 29.098 3.056 18522 10210 1 18 . 1 1 81 81 VAL H H 93 7.073 7.073 7.458 -0.385 18522 10211 1 18 . 1 1 82 82 LYS N N 94 128.366 128.366 122.700 5.666 18522 10212 1 18 . 1 1 82 82 LYS C C 94 177.460 177.460 177.582 -0.122 18522 10213 1 18 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.994 -2.241 18522 10214 1 18 . 1 1 82 82 LYS CB C 94 32.332 32.332 32.211 0.121 18522 10215 1 18 . 1 1 82 82 LYS H H 94 8.762 8.762 8.170 0.592 18522 10216 1 18 . 1 1 83 83 GLY N N 95 112.528 112.528 111.079 1.449 18522 10217 1 18 . 1 1 83 83 GLY C C 95 173.468 173.468 173.581 -0.113 18522 10218 1 18 . 1 1 83 83 GLY CA C 95 46.243 46.243 44.946 1.297 18522 10219 1 18 . 1 1 83 83 GLY H H 95 8.673 8.673 8.626 0.047 18522 10220 1 18 . 1 1 84 84 GLU N N 96 121.485 121.485 120.218 1.267 18522 10221 1 18 . 1 1 84 84 GLU HA H 96 4.749 4.749 5.153 -0.404 18522 10222 1 18 . 1 1 84 84 GLU C C 96 174.583 174.583 174.258 0.325 18522 10223 1 18 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.390 1.431 18522 10224 1 18 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.513 -2.103 18522 10225 1 18 . 1 1 84 84 GLU H H 96 8.297 8.297 7.789 0.508 18522 10226 1 18 . 1 1 85 85 VAL N N 97 120.501 120.501 118.838 1.663 18522 10227 1 18 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.367 0.298 18522 10228 1 18 . 1 1 85 85 VAL C C 97 173.047 173.047 174.488 -1.441 18522 10229 1 18 . 1 1 85 85 VAL CA C 97 60.114 60.114 62.179 -2.065 18522 10230 1 18 . 1 1 85 85 VAL CB C 97 35.184 35.184 36.559 -1.375 18522 10231 1 18 . 1 1 85 85 VAL H H 97 9.096 9.096 8.297 0.799 18522 10232 1 18 . 1 1 86 86 THR N N 98 125.019 125.019 123.933 1.086 18522 10233 1 18 . 1 1 86 86 THR HA H 98 4.076 4.076 4.785 -0.709 18522 10234 1 18 . 1 1 86 86 THR C C 98 173.807 173.807 172.724 1.083 18522 10235 1 18 . 1 1 86 86 THR CA C 98 61.735 61.735 61.967 -0.232 18522 10236 1 18 . 1 1 86 86 THR CB C 98 69.531 69.531 70.127 -0.596 18522 10237 1 18 . 1 1 86 86 THR H H 98 9.352 9.352 8.692 0.660 18522 10238 1 18 . 1 1 87 87 ILE N N 99 128.383 128.383 123.285 5.098 18522 10239 1 18 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.674 -0.013 18522 10240 1 18 . 1 1 87 87 ILE C C 99 174.614 174.614 174.197 0.417 18522 10241 1 18 . 1 1 87 87 ILE CA C 99 58.258 58.258 58.727 -0.469 18522 10242 1 18 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.251 0.278 18522 10243 1 18 . 1 1 87 87 ILE H H 99 9.329 9.329 8.505 0.824 18522 10244 1 18 . 1 1 88 88 HIS N N 100 128.279 128.279 127.726 0.553 18522 10245 1 18 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.224 -0.276 18522 10246 1 18 . 1 1 88 88 HIS C C 100 174.787 174.787 174.161 0.626 18522 10247 1 18 . 1 1 88 88 HIS CA C 100 54.620 54.620 54.367 0.253 18522 10248 1 18 . 1 1 88 88 HIS H H 100 8.647 8.647 8.255 0.392 18522 10249 1 18 . 1 1 89 89 TYR N N 101 121.320 121.320 121.514 -0.194 18522 10250 1 18 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.261 0.686 18522 10251 1 18 . 1 1 89 89 TYR C C 101 173.769 173.769 173.421 0.348 18522 10252 1 18 . 1 1 89 89 TYR CA C 101 55.669 55.669 55.440 0.229 18522 10253 1 18 . 1 1 89 89 TYR CB C 101 42.195 42.195 41.519 0.676 18522 10254 1 18 . 1 1 89 89 TYR H H 101 8.414 8.414 8.597 -0.183 18522 10255 1 18 . 1 1 90 90 ASN N N 102 116.679 116.679 117.240 -0.561 18522 10256 1 18 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.031 0.304 18522 10257 1 18 . 1 1 90 90 ASN C C 102 175.406 175.406 174.063 1.343 18522 10258 1 18 . 1 1 90 90 ASN CA C 102 51.961 51.961 52.015 -0.054 18522 10259 1 18 . 1 1 90 90 ASN CB C 102 41.800 41.800 43.649 -1.849 18522 10260 1 18 . 1 1 90 90 ASN H H 102 9.282 9.282 8.735 0.547 18522 10261 1 18 . 1 1 91 91 LYS N N 103 124.129 124.129 119.059 5.070 18522 10262 1 18 . 1 1 91 91 LYS C C 103 176.678 176.678 178.301 -1.623 18522 10263 1 18 . 1 1 91 91 LYS CA C 103 55.006 55.006 55.369 -0.363 18522 10264 1 18 . 1 1 91 91 LYS H H 103 8.949 8.949 8.419 0.530 18522 10265 1 18 . 1 1 92 92 LEU N N 104 127.043 127.043 115.817 11.226 18522 10266 1 18 . 1 1 92 92 LEU HA H 104 4.425 4.425 3.832 0.593 18522 10267 1 18 . 1 1 92 92 LEU CA C 104 55.060 55.060 57.038 -1.978 18522 10268 1 18 . 1 1 92 92 LEU CB C 104 42.559 42.559 40.411 2.147 18522 10269 1 18 . 1 1 92 92 LEU H H 104 9.150 9.150 8.808 0.342 18522 10270 1 18 . 1 1 93 93 GLN HA H 105 4.315 4.315 3.935 0.380 18522 10271 1 18 . 1 1 93 93 GLN C C 105 175.070 175.070 175.549 -0.479 18522 10272 1 18 . 1 1 93 93 GLN CA C 105 55.490 55.490 56.540 -1.050 18522 10273 1 18 . 1 1 93 93 GLN CB C 105 28.909 28.909 26.867 2.042 18522 10274 1 18 . 1 1 94 94 ALA N N 106 125.133 125.133 118.142 6.991 18522 10275 1 18 . 1 1 94 94 ALA HA H 106 4.366 4.366 3.927 0.439 18522 10276 1 18 . 1 1 94 94 ALA C C 106 176.392 176.392 174.722 1.670 18522 10277 1 18 . 1 1 94 94 ALA CA C 106 51.723 51.723 53.360 -1.637 18522 10278 1 18 . 1 1 94 94 ALA CB C 106 20.185 20.185 18.686 1.499 18522 10279 1 18 . 1 1 94 94 ALA H H 106 8.226 8.226 8.214 0.012 18522 10280 1 18 . 1 1 95 95 ASP N N 107 122.013 122.013 120.278 1.735 18522 10281 1 18 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.939 -0.526 18522 10282 1 18 . 1 1 95 95 ASP C C 107 175.019 175.019 175.321 -0.302 18522 10283 1 18 . 1 1 95 95 ASP CA C 107 55.642 55.642 51.890 3.752 18522 10284 1 18 . 1 1 95 95 ASP CB C 107 41.266 41.266 43.031 -1.765 18522 10285 1 18 . 1 1 95 95 ASP H H 107 8.429 8.429 8.025 0.404 18522 10286 1 18 . 1 1 96 96 PRO HA H 108 4.207 4.207 3.845 0.362 18522 10287 1 18 . 1 1 96 96 PRO C C 108 178.840 178.840 178.044 0.796 18522 10288 1 18 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.170 -0.774 18522 10289 1 18 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.718 0.463 18522 10290 1 18 . 1 1 97 97 LYS N N 109 117.942 117.942 116.029 1.913 18522 10291 1 18 . 1 1 97 97 LYS HA H 109 4.143 4.143 3.999 0.144 18522 10292 1 18 . 1 1 97 97 LYS C C 109 178.099 178.099 179.102 -1.003 18522 10293 1 18 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.320 -1.153 18522 10294 1 18 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.135 0.514 18522 10295 1 18 . 1 1 97 97 LYS H H 109 8.335 8.335 8.576 -0.241 18522 10296 1 18 . 1 1 98 98 GLN N N 110 119.159 119.159 118.862 0.297 18522 10297 1 18 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.202 -0.072 18522 10298 1 18 . 1 1 98 98 GLN C C 110 178.298 178.298 178.434 -0.136 18522 10299 1 18 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.980 -0.320 18522 10300 1 18 . 1 1 98 98 GLN CB C 110 28.720 28.720 29.106 -0.386 18522 10301 1 18 . 1 1 98 98 GLN H H 110 7.985 7.985 8.104 -0.119 18522 10302 1 18 . 1 1 99 99 LEU N N 111 120.490 120.490 122.987 -2.497 18522 10303 1 18 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.179 -0.302 18522 10304 1 18 . 1 1 99 99 LEU C C 111 177.729 177.729 178.654 -0.925 18522 10305 1 18 . 1 1 99 99 LEU CA C 111 57.049 57.049 58.069 -1.020 18522 10306 1 18 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.881 -0.415 18522 10307 1 18 . 1 1 99 99 LEU H H 111 7.994 7.994 8.525 -0.531 18522 10308 1 18 . 1 1 100 100 GLU N N 112 118.251 118.251 118.494 -0.243 18522 10309 1 18 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.127 -0.155 18522 10310 1 18 . 1 1 100 100 GLU C C 112 178.402 178.402 179.268 -0.866 18522 10311 1 18 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.220 -0.164 18522 10312 1 18 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.093 0.639 18522 10313 1 18 . 1 1 100 100 GLU H H 112 7.760 7.760 8.228 -0.468 18522 10314 1 18 . 1 1 101 101 VAL N N 113 117.229 117.229 120.163 -2.934 18522 10315 1 18 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.781 -0.019 18522 10316 1 18 . 1 1 101 101 VAL C C 113 178.107 178.107 178.055 0.052 18522 10317 1 18 . 1 1 101 101 VAL CA C 113 64.791 64.791 66.397 -1.606 18522 10318 1 18 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.570 0.579 18522 10319 1 18 . 1 1 101 101 VAL H H 113 7.437 7.437 7.295 0.142 18522 10320 1 18 . 1 1 102 102 LEU N N 114 122.124 122.124 120.308 1.816 18522 10321 1 18 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.137 -0.104 18522 10322 1 18 . 1 1 102 102 LEU C C 114 178.506 178.506 178.321 0.185 18522 10323 1 18 . 1 1 102 102 LEU CA C 114 57.243 57.243 57.653 -0.409 18522 10324 1 18 . 1 1 102 102 LEU CB C 114 42.028 42.028 42.246 -0.218 18522 10325 1 18 . 1 1 102 102 LEU H H 114 7.765 7.765 7.764 0.001 18522 10326 1 18 . 1 1 103 103 PHE N N 115 115.346 115.346 119.114 -3.768 18522 10327 1 18 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.289 -0.065 18522 10328 1 18 . 1 1 103 103 PHE C C 115 175.621 175.621 176.502 -0.881 18522 10329 1 18 . 1 1 103 103 PHE CA C 115 57.537 57.537 58.981 -1.444 18522 10330 1 18 . 1 1 103 103 PHE CB C 115 38.057 38.057 39.790 -1.733 18522 10331 1 18 . 1 1 103 103 PHE H H 115 7.805 7.805 8.195 -0.390 18522 10332 1 18 . 1 1 104 104 GLN N N 116 119.021 119.021 118.344 0.677 18522 10333 1 18 . 1 1 104 104 GLN HA H 116 4.407 4.407 3.948 0.459 18522 10334 1 18 . 1 1 104 104 GLN C C 116 176.402 176.402 175.576 0.826 18522 10335 1 18 . 1 1 104 104 GLN CA C 116 55.521 55.521 57.774 -2.253 18522 10336 1 18 . 1 1 104 104 GLN CB C 116 29.170 29.170 27.695 1.475 18522 10337 1 18 . 1 1 104 104 GLN H H 116 7.974 7.974 7.902 0.072 18522 10338 1 18 . 1 1 105 105 GLY N N 117 108.868 108.868 109.329 -0.461 18522 10339 1 18 . 1 1 105 105 GLY CA C 117 45.124 45.124 44.340 0.784 18522 10340 1 18 . 1 1 105 105 GLY H H 117 8.195 8.195 7.586 0.609 18522 10341 1 18 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.353 0.137 18522 10342 1 18 . 1 1 106 106 PRO C C 118 176.001 176.001 176.460 -0.459 18522 10343 1 18 . 1 1 106 106 PRO CA C 118 63.523 63.523 62.797 0.726 18522 10344 1 18 . 1 1 106 106 PRO CB C 118 32.078 32.078 32.392 -0.314 18522 10345 1 18 . 1 1 107 107 GLN N N 119 126.950 126.950 118.823 8.127 18522 10346 1 18 . 1 1 107 107 GLN C C 119 181.211 181.211 175.374 5.837 18522 10347 1 18 . 1 1 107 107 GLN CA C 119 57.416 57.416 56.174 1.242 18522 10348 1 18 . 1 1 107 107 GLN H H 119 8.079 8.079 8.517 -0.438 18522 10349 1 18 . 1 1 111 111 ARG C C 123 174.608 174.608 175.338 -0.730 18522 10350 1 18 . 1 1 111 111 ARG CA C 123 55.099 55.099 56.332 -1.233 18522 10351 1 18 . 1 1 112 112 HIS N N 124 122.212 122.212 123.126 -0.914 18522 10352 1 18 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.797 -0.079 18522 10353 1 18 . 1 1 112 112 HIS C C 124 176.040 176.040 173.181 2.859 18522 10354 1 18 . 1 1 112 112 HIS CA C 124 54.213 54.213 54.395 -0.182 18522 10355 1 18 . 1 1 112 112 HIS CB C 124 31.164 31.164 30.640 0.523 18522 10356 1 18 . 1 1 112 112 HIS H H 124 7.640 7.640 8.162 -0.522 18522 10357 1 18 . 1 1 113 113 TRP C C 125 176.168 176.168 174.382 1.786 18522 10358 1 18 . 1 1 114 114 LEU N N 126 121.893 121.893 119.387 2.506 18522 10359 1 18 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.739 0.130 18522 10360 1 18 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.492 0.659 18522 10361 1 18 . 1 1 114 114 LEU CB C 126 45.144 45.144 43.972 1.172 18522 10362 1 18 . 1 1 114 114 LEU H H 126 8.606 8.606 8.680 -0.074 18522 10363 1 18 . 1 1 115 115 LYS N N 127 125.850 125.850 119.540 6.310 18522 10364 1 18 . 1 1 115 115 LYS HA H 127 4.203 4.203 5.065 -0.862 18522 10365 1 18 . 1 1 115 115 LYS C C 127 175.564 175.564 174.688 0.876 18522 10366 1 18 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.067 2.185 18522 10367 1 18 . 1 1 115 115 LYS CB C 127 33.406 33.406 33.830 -0.424 18522 10368 1 18 . 1 1 115 115 LYS H H 127 8.647 8.647 8.095 0.552 18522 10369 1 19 . 1 1 3 3 PRO C C 15 177.225 177.225 177.161 0.064 18522 10370 1 19 . 1 1 3 3 PRO CA C 15 63.508 63.508 63.130 0.378 18522 10371 1 19 . 1 1 3 3 PRO CB C 15 32.090 32.090 32.116 -0.026 18522 10372 1 19 . 1 1 4 4 GLY N N 16 108.829 108.829 107.874 0.955 18522 10373 1 19 . 1 1 4 4 GLY C C 16 173.398 173.398 174.309 -0.911 18522 10374 1 19 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.798 0.330 18522 10375 1 19 . 1 1 4 4 GLY H H 16 8.489 8.489 8.158 0.331 18522 10376 1 19 . 1 1 5 5 ILE N N 17 121.763 121.763 119.675 2.088 18522 10377 1 19 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.518 0.036 18522 10378 1 19 . 1 1 5 5 ILE C C 17 174.332 174.332 175.191 -0.859 18522 10379 1 19 . 1 1 5 5 ILE CA C 17 58.245 58.245 58.585 -0.340 18522 10380 1 19 . 1 1 5 5 ILE CB C 17 38.762 38.762 38.206 0.556 18522 10381 1 19 . 1 1 5 5 ILE H H 17 8.014 8.014 7.712 0.302 18522 10382 1 19 . 1 1 6 6 PRO C C 18 176.437 176.437 176.513 -0.076 18522 10383 1 19 . 1 1 6 6 PRO CA C 18 62.667 62.667 64.340 -1.673 18522 10384 1 19 . 1 1 6 6 PRO CB C 18 32.469 32.469 31.927 0.543 18522 10385 1 19 . 1 1 7 7 VAL N N 19 123.849 123.849 118.525 5.324 18522 10386 1 19 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.528 0.022 18522 10387 1 19 . 1 1 7 7 VAL C C 19 174.453 174.453 173.875 0.578 18522 10388 1 19 . 1 1 7 7 VAL CA C 19 59.846 59.846 58.806 1.040 18522 10389 1 19 . 1 1 7 7 VAL CB C 19 33.510 33.510 33.122 0.388 18522 10390 1 19 . 1 1 7 7 VAL H H 19 8.754 8.754 7.924 0.830 18522 10391 1 19 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.687 0.651 18522 10392 1 19 . 1 1 8 8 PRO C C 20 177.585 177.585 176.495 1.090 18522 10393 1 19 . 1 1 8 8 PRO CA C 20 62.406 62.406 62.560 -0.154 18522 10394 1 19 . 1 1 8 8 PRO CB C 20 32.891 32.891 32.174 0.717 18522 10395 1 19 . 1 1 9 9 GLY N N 21 108.426 108.426 110.902 -2.476 18522 10396 1 19 . 1 1 9 9 GLY C C 21 171.443 171.443 172.219 -0.776 18522 10397 1 19 . 1 1 9 9 GLY CA C 21 44.581 44.581 45.211 -0.630 18522 10398 1 19 . 1 1 9 9 GLY H H 21 8.258 8.258 8.262 -0.004 18522 10399 1 19 . 1 1 10 10 LYS N N 22 117.372 117.372 121.208 -3.836 18522 10400 1 19 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.149 -1.111 18522 10401 1 19 . 1 1 10 10 LYS C C 22 174.463 174.463 174.551 -0.088 18522 10402 1 19 . 1 1 10 10 LYS CA C 22 55.263 55.263 55.184 0.079 18522 10403 1 19 . 1 1 10 10 LYS CB C 22 35.227 35.227 34.963 0.264 18522 10404 1 19 . 1 1 10 10 LYS H H 22 8.175 8.175 8.208 -0.033 18522 10405 1 19 . 1 1 11 11 VAL N N 23 120.387 120.387 116.760 3.627 18522 10406 1 19 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.584 0.124 18522 10407 1 19 . 1 1 11 11 VAL C C 23 171.873 171.873 173.948 -2.075 18522 10408 1 19 . 1 1 11 11 VAL CA C 23 59.866 59.866 59.664 0.202 18522 10409 1 19 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.188 0.081 18522 10410 1 19 . 1 1 11 11 VAL H H 23 8.862 8.862 8.217 0.645 18522 10411 1 19 . 1 1 12 12 THR N N 24 125.797 125.797 118.273 7.524 18522 10412 1 19 . 1 1 12 12 THR HA H 24 5.121 5.121 4.992 0.129 18522 10413 1 19 . 1 1 12 12 THR C C 24 173.407 173.407 173.412 -0.005 18522 10414 1 19 . 1 1 12 12 THR CA C 24 62.115 62.115 60.346 1.769 18522 10415 1 19 . 1 1 12 12 THR CB C 24 69.606 69.606 69.839 -0.233 18522 10416 1 19 . 1 1 12 12 THR H H 24 8.859 8.859 8.234 0.625 18522 10417 1 19 . 1 1 13 13 LEU N N 25 127.960 127.960 126.397 1.563 18522 10418 1 19 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.828 -0.019 18522 10419 1 19 . 1 1 13 13 LEU C C 25 175.029 175.029 175.141 -0.112 18522 10420 1 19 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.541 0.082 18522 10421 1 19 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.519 0.723 18522 10422 1 19 . 1 1 13 13 LEU H H 25 9.258 9.258 8.114 1.144 18522 10423 1 19 . 1 1 14 14 GLN N N 26 120.858 120.858 117.956 2.902 18522 10424 1 19 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.571 -0.089 18522 10425 1 19 . 1 1 14 14 GLN C C 26 174.515 174.515 175.026 -0.511 18522 10426 1 19 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.179 0.397 18522 10427 1 19 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.744 -2.228 18522 10428 1 19 . 1 1 14 14 GLN H H 26 8.530 8.530 8.331 0.199 18522 10429 1 19 . 1 1 15 15 LYS N N 27 119.583 119.583 122.802 -3.219 18522 10430 1 19 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.150 0.030 18522 10431 1 19 . 1 1 15 15 LYS C C 27 177.468 177.468 176.954 0.514 18522 10432 1 19 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.977 -1.021 18522 10433 1 19 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.448 1.651 18522 10434 1 19 . 1 1 15 15 LYS H H 27 8.099 8.099 8.057 0.042 18522 10435 1 19 . 1 1 16 16 ASP N N 28 121.439 121.439 122.281 -0.842 18522 10436 1 19 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.578 0.012 18522 10437 1 19 . 1 1 16 16 ASP C C 28 178.392 178.392 177.969 0.423 18522 10438 1 19 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.824 -1.397 18522 10439 1 19 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.380 -1.003 18522 10440 1 19 . 1 1 16 16 ASP H H 28 8.888 8.888 8.525 0.363 18522 10441 1 19 . 1 1 17 17 ALA N N 29 119.578 119.578 123.668 -4.090 18522 10442 1 19 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.040 0.148 18522 10443 1 19 . 1 1 17 17 ALA C C 29 178.763 178.763 178.308 0.455 18522 10444 1 19 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.582 -0.148 18522 10445 1 19 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.775 -0.482 18522 10446 1 19 . 1 1 17 17 ALA H H 29 8.392 8.392 8.663 -0.271 18522 10447 1 19 . 1 1 18 18 GLN N N 30 117.564 117.564 117.099 0.465 18522 10448 1 19 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.312 0.087 18522 10449 1 19 . 1 1 18 18 GLN C C 30 175.168 175.168 175.620 -0.452 18522 10450 1 19 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.059 0.280 18522 10451 1 19 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.099 -0.510 18522 10452 1 19 . 1 1 18 18 GLN H H 30 8.353 8.353 8.041 0.312 18522 10453 1 19 . 1 1 19 19 ASN N N 31 115.365 115.365 115.446 -0.081 18522 10454 1 19 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.397 -0.082 18522 10455 1 19 . 1 1 19 19 ASN C C 31 174.043 174.043 173.227 0.816 18522 10456 1 19 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.608 -0.305 18522 10457 1 19 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.667 -0.057 18522 10458 1 19 . 1 1 19 19 ASN H H 31 8.521 8.521 8.232 0.289 18522 10459 1 19 . 1 1 20 20 LEU N N 32 118.660 118.660 110.675 7.985 18522 10460 1 19 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.910 -0.010 18522 10461 1 19 . 1 1 20 20 LEU C C 32 178.117 178.117 177.210 0.907 18522 10462 1 19 . 1 1 20 20 LEU CA C 32 53.957 53.957 52.691 1.266 18522 10463 1 19 . 1 1 20 20 LEU CB C 32 44.774 44.774 44.138 0.636 18522 10464 1 19 . 1 1 20 20 LEU H H 32 8.155 8.155 7.297 0.858 18522 10465 1 19 . 1 1 21 21 ILE N N 33 116.785 116.785 115.262 1.523 18522 10466 1 19 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.503 0.171 18522 10467 1 19 . 1 1 21 21 ILE C C 33 176.185 176.185 176.423 -0.238 18522 10468 1 19 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.211 1.391 18522 10469 1 19 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.130 -0.114 18522 10470 1 19 . 1 1 21 21 ILE H H 33 11.488 11.488 7.797 3.691 18522 10471 1 19 . 1 1 22 22 GLY N N 34 111.234 111.234 108.593 2.641 18522 10472 1 19 . 1 1 22 22 GLY C C 34 173.993 173.993 173.753 0.240 18522 10473 1 19 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.064 0.916 18522 10474 1 19 . 1 1 22 22 GLY H H 34 9.854 9.854 7.777 2.077 18522 10475 1 19 . 1 1 23 23 ILE N N 35 111.117 111.117 114.193 -3.076 18522 10476 1 19 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.559 -0.024 18522 10477 1 19 . 1 1 23 23 ILE C C 35 175.033 175.033 174.471 0.562 18522 10478 1 19 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.859 0.555 18522 10479 1 19 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.567 0.010 18522 10480 1 19 . 1 1 23 23 ILE H H 35 7.835 7.835 7.537 0.298 18522 10481 1 19 . 1 1 24 24 SER N N 36 114.908 114.908 115.283 -0.375 18522 10482 1 19 . 1 1 24 24 SER HA H 36 4.232 4.232 5.245 -1.013 18522 10483 1 19 . 1 1 24 24 SER C C 36 174.735 174.735 172.555 2.180 18522 10484 1 19 . 1 1 24 24 SER CA C 36 56.121 56.121 57.918 -1.797 18522 10485 1 19 . 1 1 24 24 SER CB C 36 66.097 66.097 65.407 0.690 18522 10486 1 19 . 1 1 24 24 SER H H 36 8.623 8.623 8.458 0.165 18522 10487 1 19 . 1 1 25 25 ILE N N 37 117.739 117.739 126.543 -8.804 18522 10488 1 19 . 1 1 25 25 ILE C C 37 174.340 174.340 173.913 0.427 18522 10489 1 19 . 1 1 25 25 ILE CA C 37 59.123 59.123 58.785 0.338 18522 10490 1 19 . 1 1 25 25 ILE CB C 37 41.637 41.637 40.967 0.670 18522 10491 1 19 . 1 1 25 25 ILE H H 37 9.130 9.130 8.893 0.237 18522 10492 1 19 . 1 1 26 26 GLY N N 38 108.069 108.069 116.482 -8.413 18522 10493 1 19 . 1 1 26 26 GLY CA C 38 44.112 44.112 43.797 0.315 18522 10494 1 19 . 1 1 26 26 GLY H H 38 8.841 8.841 8.829 0.012 18522 10495 1 19 . 1 1 27 27 GLY N N 39 109.016 109.016 107.524 1.492 18522 10496 1 19 . 1 1 27 27 GLY C C 39 173.956 173.956 172.988 0.968 18522 10497 1 19 . 1 1 27 27 GLY H H 39 8.187 8.187 8.420 -0.233 18522 10498 1 19 . 1 1 28 28 GLY N N 40 111.783 111.783 107.011 4.772 18522 10499 1 19 . 1 1 28 28 GLY C C 40 174.255 174.255 172.192 2.063 18522 10500 1 19 . 1 1 28 28 GLY CA C 40 47.098 47.098 45.609 1.489 18522 10501 1 19 . 1 1 28 28 GLY H H 40 8.275 8.275 7.544 0.731 18522 10502 1 19 . 1 1 29 29 ALA N N 41 123.128 123.128 125.441 -2.313 18522 10503 1 19 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.549 0.010 18522 10504 1 19 . 1 1 29 29 ALA CA C 41 51.073 51.073 50.846 0.227 18522 10505 1 19 . 1 1 29 29 ALA CB C 41 21.926 21.926 21.244 0.682 18522 10506 1 19 . 1 1 29 29 ALA H H 41 8.012 8.012 7.640 0.372 18522 10507 1 19 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.230 0.319 18522 10508 1 19 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.836 -2.689 18522 10509 1 19 . 1 1 31 31 TYR CB C 43 37.495 37.495 38.114 -0.619 18522 10510 1 19 . 1 1 32 32 CYS N N 44 119.332 119.332 117.618 1.714 18522 10511 1 19 . 1 1 32 32 CYS HA H 44 4.859 4.859 3.595 1.264 18522 10512 1 19 . 1 1 32 32 CYS CA C 44 57.406 57.406 54.615 2.791 18522 10513 1 19 . 1 1 32 32 CYS CB C 44 27.673 27.673 27.599 0.074 18522 10514 1 19 . 1 1 32 32 CYS H H 44 7.504 7.504 7.031 0.473 18522 10515 1 19 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.152 0.261 18522 10516 1 19 . 1 1 33 33 PRO CA C 45 64.885 64.885 62.467 2.418 18522 10517 1 19 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.072 0.246 18522 10518 1 19 . 1 1 34 34 CYS N N 46 117.327 117.327 114.823 2.504 18522 10519 1 19 . 1 1 34 34 CYS C C 46 172.064 172.064 174.528 -2.464 18522 10520 1 19 . 1 1 34 34 CYS CA C 46 60.066 60.066 60.437 -0.370 18522 10521 1 19 . 1 1 34 34 CYS CB C 46 28.715 28.715 27.863 0.852 18522 10522 1 19 . 1 1 34 34 CYS H H 46 7.973 7.973 8.210 -0.237 18522 10523 1 19 . 1 1 35 35 LEU N N 47 124.270 124.270 121.865 2.405 18522 10524 1 19 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.643 0.285 18522 10525 1 19 . 1 1 35 35 LEU C C 47 175.076 175.076 175.508 -0.432 18522 10526 1 19 . 1 1 35 35 LEU CA C 47 53.278 53.278 55.082 -1.804 18522 10527 1 19 . 1 1 35 35 LEU CB C 47 44.321 44.321 43.672 0.649 18522 10528 1 19 . 1 1 35 35 LEU H H 47 8.629 8.629 8.156 0.473 18522 10529 1 19 . 1 1 36 36 TYR N N 48 119.326 119.326 112.145 7.181 18522 10530 1 19 . 1 1 36 36 TYR HA H 48 5.255 5.255 5.015 0.240 18522 10531 1 19 . 1 1 36 36 TYR C C 48 175.766 175.766 173.425 2.341 18522 10532 1 19 . 1 1 36 36 TYR CA C 48 56.696 56.696 55.944 0.752 18522 10533 1 19 . 1 1 36 36 TYR CB C 48 42.590 42.590 40.468 2.122 18522 10534 1 19 . 1 1 36 36 TYR H H 48 8.761 8.761 7.483 1.278 18522 10535 1 19 . 1 1 37 37 ILE N N 49 120.259 120.259 121.215 -0.956 18522 10536 1 19 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.409 -0.194 18522 10537 1 19 . 1 1 37 37 ILE C C 49 177.429 177.429 175.529 1.900 18522 10538 1 19 . 1 1 37 37 ILE CA C 49 62.456 62.456 60.722 1.734 18522 10539 1 19 . 1 1 37 37 ILE CB C 49 37.352 37.352 38.796 -1.444 18522 10540 1 19 . 1 1 37 37 ILE H H 49 8.959 8.959 9.080 -0.121 18522 10541 1 19 . 1 1 38 38 VAL HA H 50 3.937 3.937 4.198 -0.261 18522 10542 1 19 . 1 1 38 38 VAL C C 50 174.408 174.408 175.067 -0.659 18522 10543 1 19 . 1 1 38 38 VAL CA C 50 62.259 62.259 62.932 -0.673 18522 10544 1 19 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.238 -0.654 18522 10545 1 19 . 1 1 39 39 GLN N N 51 116.821 116.821 119.137 -2.316 18522 10546 1 19 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.427 -0.324 18522 10547 1 19 . 1 1 39 39 GLN C C 51 172.856 172.856 173.039 -0.183 18522 10548 1 19 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.132 -0.005 18522 10549 1 19 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.389 -0.014 18522 10550 1 19 . 1 1 39 39 GLN H H 51 6.967 6.967 7.538 -0.571 18522 10551 1 19 . 1 1 40 40 VAL N N 52 123.482 123.482 122.646 0.836 18522 10552 1 19 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.969 -0.692 18522 10553 1 19 . 1 1 40 40 VAL C C 52 176.198 176.198 174.553 1.645 18522 10554 1 19 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.892 1.683 18522 10555 1 19 . 1 1 40 40 VAL CB C 52 32.875 32.875 35.023 -2.148 18522 10556 1 19 . 1 1 40 40 VAL H H 52 8.447 8.447 8.116 0.331 18522 10557 1 19 . 1 1 41 41 PHE N N 53 128.296 128.296 124.285 4.011 18522 10558 1 19 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.670 -0.270 18522 10559 1 19 . 1 1 41 41 PHE C C 53 175.299 175.299 175.180 0.119 18522 10560 1 19 . 1 1 41 41 PHE CA C 53 58.494 58.494 58.517 -0.023 18522 10561 1 19 . 1 1 41 41 PHE CB C 53 39.561 39.561 39.814 -0.253 18522 10562 1 19 . 1 1 41 41 PHE H H 53 8.707 8.707 8.452 0.255 18522 10563 1 19 . 1 1 42 42 ASP N N 54 122.696 122.696 115.729 6.967 18522 10564 1 19 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.668 -0.396 18522 10565 1 19 . 1 1 42 42 ASP C C 54 176.837 176.837 176.004 0.833 18522 10566 1 19 . 1 1 42 42 ASP CA C 54 55.291 55.291 55.118 0.173 18522 10567 1 19 . 1 1 42 42 ASP CB C 54 41.093 41.093 42.465 -1.372 18522 10568 1 19 . 1 1 42 42 ASP H H 54 8.901 8.901 8.465 0.436 18522 10569 1 19 . 1 1 43 43 ASN N N 55 113.923 113.923 116.820 -2.897 18522 10570 1 19 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.864 -0.606 18522 10571 1 19 . 1 1 43 43 ASN C C 55 173.714 173.714 174.707 -0.993 18522 10572 1 19 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.471 1.487 18522 10573 1 19 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.543 -2.393 18522 10574 1 19 . 1 1 43 43 ASN H H 55 9.319 9.319 8.328 0.991 18522 10575 1 19 . 1 1 44 44 THR N N 56 108.020 108.020 110.593 -2.573 18522 10576 1 19 . 1 1 44 44 THR HA H 56 5.377 5.377 4.804 0.573 18522 10577 1 19 . 1 1 44 44 THR CA C 56 59.712 59.712 59.027 0.685 18522 10578 1 19 . 1 1 44 44 THR CB C 56 69.529 69.529 70.064 -0.535 18522 10579 1 19 . 1 1 44 44 THR H H 56 7.149 7.149 7.499 -0.350 18522 10580 1 19 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.068 0.236 18522 10581 1 19 . 1 1 45 45 PRO C C 57 180.141 180.141 177.889 2.252 18522 10582 1 19 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.657 0.433 18522 10583 1 19 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.458 1.736 18522 10584 1 19 . 1 1 46 46 ALA N N 58 116.854 116.854 119.439 -2.585 18522 10585 1 19 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.049 -0.014 18522 10586 1 19 . 1 1 46 46 ALA C C 58 180.647 180.647 179.451 1.196 18522 10587 1 19 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.222 -0.027 18522 10588 1 19 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.133 0.747 18522 10589 1 19 . 1 1 46 46 ALA H H 58 8.938 8.938 7.776 1.162 18522 10590 1 19 . 1 1 47 47 ALA N N 59 123.250 123.250 121.104 2.146 18522 10591 1 19 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.097 -0.067 18522 10592 1 19 . 1 1 47 47 ALA C C 59 179.852 179.852 179.734 0.118 18522 10593 1 19 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.660 0.279 18522 10594 1 19 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.789 0.899 18522 10595 1 19 . 1 1 47 47 ALA H H 59 7.658 7.658 7.406 0.252 18522 10596 1 19 . 1 1 48 48 LEU N N 60 118.654 118.654 118.493 0.161 18522 10597 1 19 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.157 -0.131 18522 10598 1 19 . 1 1 48 48 LEU C C 60 179.238 179.238 178.178 1.060 18522 10599 1 19 . 1 1 48 48 LEU CA C 60 57.261 57.261 57.831 -0.570 18522 10600 1 19 . 1 1 48 48 LEU CB C 60 41.445 41.445 41.547 -0.102 18522 10601 1 19 . 1 1 48 48 LEU H H 60 8.636 8.636 8.451 0.185 18522 10602 1 19 . 1 1 49 49 ASP N N 61 117.382 117.382 119.259 -1.877 18522 10603 1 19 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.617 -0.196 18522 10604 1 19 . 1 1 49 49 ASP C C 61 177.668 177.668 177.716 -0.048 18522 10605 1 19 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.619 2.468 18522 10606 1 19 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.688 2.790 18522 10607 1 19 . 1 1 49 49 ASP H H 61 7.665 7.665 7.737 -0.072 18522 10608 1 19 . 1 1 50 50 GLY N N 62 103.228 103.228 107.814 -4.586 18522 10609 1 19 . 1 1 50 50 GLY C C 62 174.776 174.776 175.086 -0.310 18522 10610 1 19 . 1 1 50 50 GLY CA C 62 46.533 46.533 45.574 0.959 18522 10611 1 19 . 1 1 50 50 GLY H H 62 7.216 7.216 7.877 -0.661 18522 10612 1 19 . 1 1 51 51 THR N N 63 117.230 117.230 114.317 2.913 18522 10613 1 19 . 1 1 51 51 THR HA H 63 3.907 3.907 3.938 -0.031 18522 10614 1 19 . 1 1 51 51 THR C C 63 175.961 175.961 174.974 0.987 18522 10615 1 19 . 1 1 51 51 THR CA C 63 66.478 66.478 62.907 3.571 18522 10616 1 19 . 1 1 51 51 THR CB C 63 68.268 68.268 68.242 0.026 18522 10617 1 19 . 1 1 51 51 THR H H 63 8.319 8.319 7.606 0.713 18522 10618 1 19 . 1 1 52 52 VAL N N 64 113.826 113.826 116.062 -2.236 18522 10619 1 19 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.182 -0.232 18522 10620 1 19 . 1 1 52 52 VAL C C 64 173.883 173.883 174.618 -0.735 18522 10621 1 19 . 1 1 52 52 VAL CA C 64 60.708 60.708 60.208 0.500 18522 10622 1 19 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.798 2.281 18522 10623 1 19 . 1 1 52 52 VAL H H 64 8.147 8.147 7.600 0.547 18522 10624 1 19 . 1 1 53 53 ALA N N 65 123.521 123.521 123.601 -0.080 18522 10625 1 19 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.451 -0.037 18522 10626 1 19 . 1 1 53 53 ALA C C 65 175.247 175.247 176.666 -1.419 18522 10627 1 19 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.880 -0.440 18522 10628 1 19 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.489 2.777 18522 10629 1 19 . 1 1 53 53 ALA H H 65 8.633 8.633 7.526 1.107 18522 10630 1 19 . 1 1 54 54 ALA N N 66 120.818 120.818 123.205 -2.387 18522 10631 1 19 . 1 1 54 54 ALA HA H 66 3.720 3.720 4.116 -0.396 18522 10632 1 19 . 1 1 54 54 ALA C C 66 178.411 178.411 178.363 0.048 18522 10633 1 19 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.371 -0.355 18522 10634 1 19 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.837 0.003 18522 10635 1 19 . 1 1 54 54 ALA H H 66 8.451 8.451 8.484 -0.033 18522 10636 1 19 . 1 1 55 55 GLY N N 67 112.260 112.260 114.382 -2.122 18522 10637 1 19 . 1 1 55 55 GLY C C 67 173.296 173.296 174.163 -0.867 18522 10638 1 19 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.688 0.337 18522 10639 1 19 . 1 1 55 55 GLY H H 67 9.600 9.600 9.114 0.486 18522 10640 1 19 . 1 1 56 56 ASP N N 68 121.293 121.293 123.689 -2.396 18522 10641 1 19 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.658 0.203 18522 10642 1 19 . 1 1 56 56 ASP C C 68 174.937 174.937 174.514 0.423 18522 10643 1 19 . 1 1 56 56 ASP CA C 68 55.641 55.641 56.121 -0.480 18522 10644 1 19 . 1 1 56 56 ASP CB C 68 40.696 40.696 41.901 -1.204 18522 10645 1 19 . 1 1 56 56 ASP H H 68 8.043 8.043 7.778 0.265 18522 10646 1 19 . 1 1 57 57 GLU N N 69 122.814 122.814 123.135 -0.321 18522 10647 1 19 . 1 1 57 57 GLU C C 69 177.202 177.202 175.455 1.747 18522 10648 1 19 . 1 1 57 57 GLU CA C 69 54.472 54.472 55.480 -1.008 18522 10649 1 19 . 1 1 57 57 GLU CB C 69 32.800 32.800 31.909 0.891 18522 10650 1 19 . 1 1 57 57 GLU H H 69 8.455 8.455 8.480 -0.025 18522 10651 1 19 . 1 1 58 58 ILE N N 70 125.862 125.862 129.129 -3.267 18522 10652 1 19 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.485 0.041 18522 10653 1 19 . 1 1 58 58 ILE C C 70 175.035 175.035 175.815 -0.780 18522 10654 1 19 . 1 1 58 58 ILE CA C 70 60.918 60.918 60.348 0.570 18522 10655 1 19 . 1 1 58 58 ILE CB C 70 39.236 39.236 37.598 1.638 18522 10656 1 19 . 1 1 58 58 ILE H H 70 8.619 8.619 8.226 0.393 18522 10657 1 19 . 1 1 59 59 THR N N 71 115.507 115.507 119.868 -4.361 18522 10658 1 19 . 1 1 59 59 THR HA H 71 4.513 4.513 4.483 0.030 18522 10659 1 19 . 1 1 59 59 THR C C 71 176.425 176.425 174.229 2.196 18522 10660 1 19 . 1 1 59 59 THR CA C 71 61.158 61.158 62.576 -1.418 18522 10661 1 19 . 1 1 59 59 THR CB C 71 69.604 69.604 70.275 -0.671 18522 10662 1 19 . 1 1 59 59 THR H H 71 9.242 9.242 7.960 1.282 18522 10663 1 19 . 1 1 60 60 GLY N N 72 111.789 111.789 108.198 3.591 18522 10664 1 19 . 1 1 60 60 GLY C C 72 170.981 170.981 171.320 -0.339 18522 10665 1 19 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.282 1.272 18522 10666 1 19 . 1 1 60 60 GLY H H 72 7.883 7.883 7.313 0.570 18522 10667 1 19 . 1 1 61 61 VAL N N 73 119.277 119.277 120.493 -1.216 18522 10668 1 19 . 1 1 61 61 VAL C C 73 175.951 175.951 175.470 0.481 18522 10669 1 19 . 1 1 61 61 VAL CA C 73 60.982 60.982 59.577 1.405 18522 10670 1 19 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.114 2.083 18522 10671 1 19 . 1 1 61 61 VAL H H 73 8.424 8.424 8.802 -0.378 18522 10672 1 19 . 1 1 62 62 ASN N N 74 127.731 127.731 127.397 0.334 18522 10673 1 19 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.596 -0.076 18522 10674 1 19 . 1 1 62 62 ASN C C 74 174.878 174.878 175.115 -0.237 18522 10675 1 19 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.496 -0.078 18522 10676 1 19 . 1 1 62 62 ASN CB C 74 36.655 36.655 37.364 -0.709 18522 10677 1 19 . 1 1 62 62 ASN H H 74 10.384 10.384 9.509 0.875 18522 10678 1 19 . 1 1 63 63 GLY N N 75 104.633 104.633 101.547 3.086 18522 10679 1 19 . 1 1 63 63 GLY C C 75 173.610 173.610 173.561 0.049 18522 10680 1 19 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.740 0.521 18522 10681 1 19 . 1 1 63 63 GLY H H 75 8.926 8.926 8.641 0.285 18522 10682 1 19 . 1 1 64 64 ARG N N 76 120.451 120.451 121.800 -1.349 18522 10683 1 19 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.677 -0.176 18522 10684 1 19 . 1 1 64 64 ARG C C 76 175.085 175.085 175.474 -0.389 18522 10685 1 19 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.480 -0.228 18522 10686 1 19 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.497 -0.015 18522 10687 1 19 . 1 1 64 64 ARG H H 76 7.753 7.753 8.026 -0.273 18522 10688 1 19 . 1 1 65 65 SER N N 77 116.586 116.586 118.942 -2.356 18522 10689 1 19 . 1 1 65 65 SER HA H 77 4.483 4.483 4.590 -0.107 18522 10690 1 19 . 1 1 65 65 SER C C 77 176.953 176.953 175.682 1.271 18522 10691 1 19 . 1 1 65 65 SER CA C 77 58.292 58.292 58.447 -0.155 18522 10692 1 19 . 1 1 65 65 SER CB C 77 63.643 63.643 63.583 0.060 18522 10693 1 19 . 1 1 65 65 SER H H 77 8.555 8.555 8.783 -0.228 18522 10694 1 19 . 1 1 66 66 ILE N N 78 116.618 116.618 115.674 0.944 18522 10695 1 19 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.342 0.078 18522 10696 1 19 . 1 1 66 66 ILE C C 78 175.072 175.072 175.637 -0.565 18522 10697 1 19 . 1 1 66 66 ILE CA C 78 59.122 59.122 59.909 -0.787 18522 10698 1 19 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.471 -0.713 18522 10699 1 19 . 1 1 66 66 ILE H H 78 7.599 7.599 7.781 -0.182 18522 10700 1 19 . 1 1 67 67 LYS N N 79 123.287 123.287 122.589 0.698 18522 10701 1 19 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.023 0.026 18522 10702 1 19 . 1 1 67 67 LYS C C 79 178.333 178.333 176.576 1.757 18522 10703 1 19 . 1 1 67 67 LYS CA C 79 58.321 58.321 56.865 1.456 18522 10704 1 19 . 1 1 67 67 LYS CB C 79 31.635 31.635 30.171 1.464 18522 10705 1 19 . 1 1 67 67 LYS H H 79 7.898 7.898 7.971 -0.073 18522 10706 1 19 . 1 1 68 68 GLY N N 80 114.933 114.933 114.251 0.682 18522 10707 1 19 . 1 1 68 68 GLY C C 80 174.385 174.385 174.373 0.012 18522 10708 1 19 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.097 0.421 18522 10709 1 19 . 1 1 68 68 GLY H H 80 8.999 8.999 7.996 1.003 18522 10710 1 19 . 1 1 69 69 LYS N N 81 119.403 119.403 123.254 -3.851 18522 10711 1 19 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.437 -0.394 18522 10712 1 19 . 1 1 69 69 LYS C C 81 177.064 177.064 175.694 1.370 18522 10713 1 19 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.767 -1.045 18522 10714 1 19 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.200 0.360 18522 10715 1 19 . 1 1 69 69 LYS H H 81 7.845 7.845 7.791 0.054 18522 10716 1 19 . 1 1 70 70 THR N N 82 112.066 112.066 115.794 -3.728 18522 10717 1 19 . 1 1 70 70 THR HA H 82 4.666 4.666 4.510 0.156 18522 10718 1 19 . 1 1 70 70 THR C C 82 175.955 175.955 175.346 0.609 18522 10719 1 19 . 1 1 70 70 THR CA C 82 60.438 60.438 60.540 -0.102 18522 10720 1 19 . 1 1 70 70 THR CB C 82 71.629 71.629 71.991 -0.362 18522 10721 1 19 . 1 1 70 70 THR H H 82 9.153 9.153 8.068 1.085 18522 10722 1 19 . 1 1 71 71 LYS N N 83 118.730 118.730 125.247 -6.517 18522 10723 1 19 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.926 -0.056 18522 10724 1 19 . 1 1 71 71 LYS C C 83 177.464 177.464 178.504 -1.040 18522 10725 1 19 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.876 0.481 18522 10726 1 19 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.553 -0.203 18522 10727 1 19 . 1 1 71 71 LYS H H 83 8.969 8.969 8.979 -0.010 18522 10728 1 19 . 1 1 72 72 VAL N N 84 117.444 117.444 118.683 -1.239 18522 10729 1 19 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.729 -0.096 18522 10730 1 19 . 1 1 72 72 VAL C C 84 178.315 178.315 177.413 0.902 18522 10731 1 19 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.873 0.206 18522 10732 1 19 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.296 0.795 18522 10733 1 19 . 1 1 72 72 VAL H H 84 7.631 7.631 8.353 -0.722 18522 10734 1 19 . 1 1 73 73 GLU N N 85 120.890 120.890 118.753 2.137 18522 10735 1 19 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.169 -0.205 18522 10736 1 19 . 1 1 73 73 GLU C C 85 179.971 179.971 178.620 1.351 18522 10737 1 19 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.254 0.062 18522 10738 1 19 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.696 0.659 18522 10739 1 19 . 1 1 73 73 GLU H H 85 7.617 7.617 8.357 -0.740 18522 10740 1 19 . 1 1 74 74 VAL N N 86 121.246 121.246 118.705 2.541 18522 10741 1 19 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.995 -0.365 18522 10742 1 19 . 1 1 74 74 VAL C C 86 177.217 177.217 177.685 -0.468 18522 10743 1 19 . 1 1 74 74 VAL CA C 86 66.678 66.678 65.438 1.240 18522 10744 1 19 . 1 1 74 74 VAL CB C 86 31.307 31.307 31.178 0.129 18522 10745 1 19 . 1 1 74 74 VAL H H 86 8.368 8.368 7.416 0.952 18522 10746 1 19 . 1 1 75 75 ALA N N 87 122.148 122.148 122.037 0.111 18522 10747 1 19 . 1 1 75 75 ALA HA H 87 3.947 3.947 4.014 -0.067 18522 10748 1 19 . 1 1 75 75 ALA C C 87 179.545 179.545 179.156 0.389 18522 10749 1 19 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.279 0.572 18522 10750 1 19 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.996 0.495 18522 10751 1 19 . 1 1 75 75 ALA H H 87 8.577 8.577 8.209 0.368 18522 10752 1 19 . 1 1 76 76 LYS N N 88 117.733 117.733 119.573 -1.840 18522 10753 1 19 . 1 1 76 76 LYS HA H 88 4.051 4.051 3.995 0.056 18522 10754 1 19 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.375 0.018 18522 10755 1 19 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.266 -0.208 18522 10756 1 19 . 1 1 76 76 LYS H H 88 7.854 7.854 7.486 0.368 18522 10757 1 19 . 1 1 77 77 MET N N 89 117.676 117.676 118.896 -1.220 18522 10758 1 19 . 1 1 77 77 MET HA H 89 4.048 4.048 3.987 0.061 18522 10759 1 19 . 1 1 77 77 MET C C 89 178.791 178.791 178.756 0.035 18522 10760 1 19 . 1 1 77 77 MET CA C 89 59.128 59.128 59.374 -0.246 18522 10761 1 19 . 1 1 77 77 MET CB C 89 33.801 33.801 32.433 1.368 18522 10762 1 19 . 1 1 77 77 MET H H 89 7.759 7.759 8.438 -0.679 18522 10763 1 19 . 1 1 78 78 ILE N N 90 117.305 117.305 118.729 -1.424 18522 10764 1 19 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.734 -0.144 18522 10765 1 19 . 1 1 78 78 ILE C C 90 178.658 178.658 178.901 -0.243 18522 10766 1 19 . 1 1 78 78 ILE CA C 90 65.482 65.482 64.002 1.480 18522 10767 1 19 . 1 1 78 78 ILE CB C 90 38.845 38.845 36.704 2.141 18522 10768 1 19 . 1 1 78 78 ILE H H 90 7.972 7.972 7.830 0.142 18522 10769 1 19 . 1 1 79 79 GLN N N 91 120.935 120.935 118.615 2.320 18522 10770 1 19 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.064 -0.066 18522 10771 1 19 . 1 1 79 79 GLN C C 91 178.274 178.274 178.644 -0.370 18522 10772 1 19 . 1 1 79 79 GLN CA C 91 59.151 59.151 57.763 1.388 18522 10773 1 19 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.297 0.637 18522 10774 1 19 . 1 1 79 79 GLN H H 91 8.826 8.826 8.283 0.543 18522 10775 1 19 . 1 1 80 80 GLU N N 92 115.213 115.213 119.580 -4.367 18522 10776 1 19 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.110 -0.049 18522 10777 1 19 . 1 1 80 80 GLU C C 92 176.824 176.824 178.775 -1.951 18522 10778 1 19 . 1 1 80 80 GLU CA C 92 58.006 58.006 58.748 -0.742 18522 10779 1 19 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.857 0.033 18522 10780 1 19 . 1 1 80 80 GLU H H 92 8.020 8.020 8.145 -0.125 18522 10781 1 19 . 1 1 81 81 VAL N N 93 119.047 119.047 115.087 3.960 18522 10782 1 19 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.794 0.136 18522 10783 1 19 . 1 1 81 81 VAL C C 93 176.016 176.016 175.984 0.032 18522 10784 1 19 . 1 1 81 81 VAL CA C 93 63.153 63.153 63.661 -0.508 18522 10785 1 19 . 1 1 81 81 VAL CB C 93 32.154 32.154 32.197 -0.042 18522 10786 1 19 . 1 1 81 81 VAL H H 93 7.073 7.073 7.598 -0.525 18522 10787 1 19 . 1 1 82 82 LYS N N 94 128.366 128.366 116.981 11.385 18522 10788 1 19 . 1 1 82 82 LYS C C 94 177.460 177.460 177.398 0.062 18522 10789 1 19 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.510 -1.757 18522 10790 1 19 . 1 1 82 82 LYS CB C 94 32.332 32.332 31.521 0.811 18522 10791 1 19 . 1 1 82 82 LYS H H 94 8.762 8.762 7.479 1.283 18522 10792 1 19 . 1 1 83 83 GLY N N 95 112.528 112.528 109.095 3.433 18522 10793 1 19 . 1 1 83 83 GLY C C 95 173.468 173.468 173.365 0.103 18522 10794 1 19 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.373 0.869 18522 10795 1 19 . 1 1 83 83 GLY H H 95 8.673 8.673 8.878 -0.205 18522 10796 1 19 . 1 1 84 84 GLU N N 96 121.485 121.485 119.582 1.903 18522 10797 1 19 . 1 1 84 84 GLU HA H 96 4.749 4.749 4.977 -0.228 18522 10798 1 19 . 1 1 84 84 GLU C C 96 174.583 174.583 174.213 0.370 18522 10799 1 19 . 1 1 84 84 GLU CA C 96 55.821 55.821 55.018 0.803 18522 10800 1 19 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.789 -2.379 18522 10801 1 19 . 1 1 84 84 GLU H H 96 8.297 8.297 7.714 0.583 18522 10802 1 19 . 1 1 85 85 VAL N N 97 120.501 120.501 111.923 8.578 18522 10803 1 19 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.586 0.079 18522 10804 1 19 . 1 1 85 85 VAL C C 97 173.047 173.047 173.910 -0.863 18522 10805 1 19 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.594 -0.480 18522 10806 1 19 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.540 -0.356 18522 10807 1 19 . 1 1 85 85 VAL H H 97 9.096 9.096 8.523 0.573 18522 10808 1 19 . 1 1 86 86 THR N N 98 125.019 125.019 121.566 3.453 18522 10809 1 19 . 1 1 86 86 THR HA H 98 4.076 4.076 5.018 -0.942 18522 10810 1 19 . 1 1 86 86 THR C C 98 173.807 173.807 173.552 0.255 18522 10811 1 19 . 1 1 86 86 THR CA C 98 61.735 61.735 61.628 0.107 18522 10812 1 19 . 1 1 86 86 THR CB C 98 69.531 69.531 69.944 -0.413 18522 10813 1 19 . 1 1 86 86 THR H H 98 9.352 9.352 8.894 0.458 18522 10814 1 19 . 1 1 87 87 ILE N N 99 128.383 128.383 123.180 5.203 18522 10815 1 19 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.442 0.219 18522 10816 1 19 . 1 1 87 87 ILE C C 99 174.614 174.614 174.220 0.394 18522 10817 1 19 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.197 -0.939 18522 10818 1 19 . 1 1 87 87 ILE CB C 99 38.528 38.528 39.157 -0.629 18522 10819 1 19 . 1 1 87 87 ILE H H 99 9.329 9.329 8.393 0.936 18522 10820 1 19 . 1 1 88 88 HIS N N 100 128.279 128.279 121.839 6.440 18522 10821 1 19 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.441 -0.493 18522 10822 1 19 . 1 1 88 88 HIS C C 100 174.787 174.787 174.296 0.491 18522 10823 1 19 . 1 1 88 88 HIS CA C 100 54.620 54.620 54.207 0.413 18522 10824 1 19 . 1 1 88 88 HIS H H 100 8.647 8.647 7.820 0.827 18522 10825 1 19 . 1 1 89 89 TYR N N 101 121.320 121.320 123.157 -1.837 18522 10826 1 19 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.544 0.403 18522 10827 1 19 . 1 1 89 89 TYR C C 101 173.769 173.769 174.833 -1.064 18522 10828 1 19 . 1 1 89 89 TYR CA C 101 55.669 55.669 56.559 -0.890 18522 10829 1 19 . 1 1 89 89 TYR CB C 101 42.195 42.195 42.389 -0.194 18522 10830 1 19 . 1 1 89 89 TYR H H 101 8.414 8.414 9.377 -0.963 18522 10831 1 19 . 1 1 90 90 ASN N N 102 116.679 116.679 116.939 -0.260 18522 10832 1 19 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.379 -0.044 18522 10833 1 19 . 1 1 90 90 ASN C C 102 175.406 175.406 174.195 1.211 18522 10834 1 19 . 1 1 90 90 ASN CA C 102 51.961 51.961 51.401 0.560 18522 10835 1 19 . 1 1 90 90 ASN CB C 102 41.800 41.800 41.909 -0.109 18522 10836 1 19 . 1 1 90 90 ASN H H 102 9.282 9.282 9.129 0.153 18522 10837 1 19 . 1 1 91 91 LYS N N 103 124.129 124.129 120.057 4.072 18522 10838 1 19 . 1 1 91 91 LYS C C 103 176.678 176.678 175.459 1.219 18522 10839 1 19 . 1 1 91 91 LYS CA C 103 55.006 55.006 55.880 -0.874 18522 10840 1 19 . 1 1 91 91 LYS H H 103 8.949 8.949 8.470 0.479 18522 10841 1 19 . 1 1 92 92 LEU N N 104 127.043 127.043 120.533 6.510 18522 10842 1 19 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.756 -0.331 18522 10843 1 19 . 1 1 92 92 LEU CA C 104 55.060 55.060 54.582 0.478 18522 10844 1 19 . 1 1 92 92 LEU CB C 104 42.559 42.559 44.734 -2.175 18522 10845 1 19 . 1 1 92 92 LEU H H 104 9.150 9.150 8.081 1.069 18522 10846 1 19 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.685 -0.370 18522 10847 1 19 . 1 1 93 93 GLN C C 105 175.070 175.070 175.224 -0.154 18522 10848 1 19 . 1 1 93 93 GLN CA C 105 55.490 55.490 54.637 0.853 18522 10849 1 19 . 1 1 93 93 GLN CB C 105 28.909 28.909 28.274 0.635 18522 10850 1 19 . 1 1 94 94 ALA N N 106 125.133 125.133 126.453 -1.320 18522 10851 1 19 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.343 0.023 18522 10852 1 19 . 1 1 94 94 ALA C C 106 176.392 176.392 176.591 -0.199 18522 10853 1 19 . 1 1 94 94 ALA CA C 106 51.723 51.723 52.076 -0.353 18522 10854 1 19 . 1 1 94 94 ALA CB C 106 20.185 20.185 20.055 0.130 18522 10855 1 19 . 1 1 94 94 ALA H H 106 8.226 8.226 8.216 0.010 18522 10856 1 19 . 1 1 95 95 ASP N N 107 122.013 122.013 118.852 3.161 18522 10857 1 19 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.827 -0.414 18522 10858 1 19 . 1 1 95 95 ASP C C 107 175.019 175.019 175.040 -0.021 18522 10859 1 19 . 1 1 95 95 ASP CA C 107 55.642 55.642 52.481 3.161 18522 10860 1 19 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.660 -1.394 18522 10861 1 19 . 1 1 95 95 ASP H H 107 8.429 8.429 8.356 0.073 18522 10862 1 19 . 1 1 96 96 PRO HA H 108 4.207 4.207 4.032 0.175 18522 10863 1 19 . 1 1 96 96 PRO C C 108 178.840 178.840 178.240 0.600 18522 10864 1 19 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.329 -0.933 18522 10865 1 19 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.916 0.265 18522 10866 1 19 . 1 1 97 97 LYS N N 109 117.942 117.942 114.791 3.151 18522 10867 1 19 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.083 0.060 18522 10868 1 19 . 1 1 97 97 LYS C C 109 178.099 178.099 178.767 -0.668 18522 10869 1 19 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.054 -0.887 18522 10870 1 19 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.480 0.169 18522 10871 1 19 . 1 1 97 97 LYS H H 109 8.335 8.335 8.337 -0.002 18522 10872 1 19 . 1 1 98 98 GLN N N 110 119.159 119.159 117.765 1.394 18522 10873 1 19 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.329 -0.199 18522 10874 1 19 . 1 1 98 98 GLN C C 110 178.298 178.298 178.299 -0.001 18522 10875 1 19 . 1 1 98 98 GLN CA C 110 57.660 57.660 56.916 0.744 18522 10876 1 19 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.904 -0.184 18522 10877 1 19 . 1 1 98 98 GLN H H 110 7.985 7.985 7.976 0.009 18522 10878 1 19 . 1 1 99 99 LEU N N 111 120.490 120.490 121.801 -1.311 18522 10879 1 19 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.306 -0.429 18522 10880 1 19 . 1 1 99 99 LEU C C 111 177.729 177.729 178.100 -0.371 18522 10881 1 19 . 1 1 99 99 LEU CA C 111 57.049 57.049 57.448 -0.399 18522 10882 1 19 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.911 -0.445 18522 10883 1 19 . 1 1 99 99 LEU H H 111 7.994 7.994 8.471 -0.477 18522 10884 1 19 . 1 1 100 100 GLU N N 112 118.251 118.251 117.894 0.357 18522 10885 1 19 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.271 -0.299 18522 10886 1 19 . 1 1 100 100 GLU C C 112 178.402 178.402 177.946 0.456 18522 10887 1 19 . 1 1 100 100 GLU CA C 112 59.056 59.056 58.865 0.191 18522 10888 1 19 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.055 0.677 18522 10889 1 19 . 1 1 100 100 GLU H H 112 7.760 7.760 8.023 -0.263 18522 10890 1 19 . 1 1 101 101 VAL N N 113 117.229 117.229 117.833 -0.604 18522 10891 1 19 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.878 -0.116 18522 10892 1 19 . 1 1 101 101 VAL C C 113 178.107 178.107 177.647 0.460 18522 10893 1 19 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.363 -0.572 18522 10894 1 19 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.456 0.692 18522 10895 1 19 . 1 1 101 101 VAL H H 113 7.437 7.437 7.731 -0.294 18522 10896 1 19 . 1 1 102 102 LEU N N 114 122.124 122.124 119.917 2.207 18522 10897 1 19 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.221 -0.188 18522 10898 1 19 . 1 1 102 102 LEU C C 114 178.506 178.506 178.426 0.080 18522 10899 1 19 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.801 0.442 18522 10900 1 19 . 1 1 102 102 LEU CB C 114 42.028 42.028 42.130 -0.102 18522 10901 1 19 . 1 1 102 102 LEU H H 114 7.765 7.765 7.468 0.297 18522 10902 1 19 . 1 1 103 103 PHE N N 115 115.346 115.346 118.400 -3.054 18522 10903 1 19 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.403 -0.179 18522 10904 1 19 . 1 1 103 103 PHE C C 115 175.621 175.621 176.056 -0.435 18522 10905 1 19 . 1 1 103 103 PHE CA C 115 57.537 57.537 59.007 -1.470 18522 10906 1 19 . 1 1 103 103 PHE CB C 115 38.057 38.057 39.314 -1.257 18522 10907 1 19 . 1 1 103 103 PHE H H 115 7.805 7.805 7.898 -0.093 18522 10908 1 19 . 1 1 104 104 GLN N N 116 119.021 119.021 117.755 1.266 18522 10909 1 19 . 1 1 104 104 GLN HA H 116 4.407 4.407 3.879 0.528 18522 10910 1 19 . 1 1 104 104 GLN C C 116 176.402 176.402 175.556 0.846 18522 10911 1 19 . 1 1 104 104 GLN CA C 116 55.521 55.521 58.429 -2.908 18522 10912 1 19 . 1 1 104 104 GLN CB C 116 29.170 29.170 27.301 1.869 18522 10913 1 19 . 1 1 104 104 GLN H H 116 7.974 7.974 7.582 0.392 18522 10914 1 19 . 1 1 105 105 GLY N N 117 108.868 108.868 104.222 4.646 18522 10915 1 19 . 1 1 105 105 GLY CA C 117 45.124 45.124 45.696 -0.571 18522 10916 1 19 . 1 1 105 105 GLY H H 117 8.195 8.195 7.981 0.214 18522 10917 1 19 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.278 0.212 18522 10918 1 19 . 1 1 106 106 PRO C C 118 176.001 176.001 176.613 -0.612 18522 10919 1 19 . 1 1 106 106 PRO CA C 118 63.523 63.523 64.075 -0.552 18522 10920 1 19 . 1 1 106 106 PRO CB C 118 32.078 32.078 32.011 0.067 18522 10921 1 19 . 1 1 107 107 GLN N N 119 126.950 126.950 120.812 6.138 18522 10922 1 19 . 1 1 107 107 GLN C C 119 181.211 181.211 175.949 5.262 18522 10923 1 19 . 1 1 107 107 GLN CA C 119 57.416 57.416 56.826 0.590 18522 10924 1 19 . 1 1 107 107 GLN H H 119 8.079 8.079 8.351 -0.272 18522 10925 1 19 . 1 1 111 111 ARG C C 123 174.608 174.608 175.242 -0.634 18522 10926 1 19 . 1 1 111 111 ARG CA C 123 55.099 55.099 56.038 -0.939 18522 10927 1 19 . 1 1 112 112 HIS N N 124 122.212 122.212 120.365 1.847 18522 10928 1 19 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.203 0.515 18522 10929 1 19 . 1 1 112 112 HIS C C 124 176.040 176.040 175.200 0.840 18522 10930 1 19 . 1 1 112 112 HIS CA C 124 54.213 54.213 55.267 -1.054 18522 10931 1 19 . 1 1 112 112 HIS CB C 124 31.164 31.164 30.427 0.737 18522 10932 1 19 . 1 1 112 112 HIS H H 124 7.640 7.640 8.117 -0.477 18522 10933 1 19 . 1 1 113 113 TRP C C 125 176.168 176.168 174.924 1.244 18522 10934 1 19 . 1 1 114 114 LEU N N 126 121.893 121.893 115.419 6.474 18522 10935 1 19 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.998 -0.129 18522 10936 1 19 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.599 0.552 18522 10937 1 19 . 1 1 114 114 LEU CB C 126 45.144 45.144 45.887 -0.743 18522 10938 1 19 . 1 1 114 114 LEU H H 126 8.606 8.606 8.731 -0.125 18522 10939 1 19 . 1 1 115 115 LYS N N 127 125.850 125.850 118.884 6.966 18522 10940 1 19 . 1 1 115 115 LYS HA H 127 4.203 4.203 5.002 -0.799 18522 10941 1 19 . 1 1 115 115 LYS C C 127 175.564 175.564 174.630 0.934 18522 10942 1 19 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.381 1.871 18522 10943 1 19 . 1 1 115 115 LYS CB C 127 33.406 33.406 35.445 -2.039 18522 10944 1 19 . 1 1 115 115 LYS H H 127 8.647 8.647 8.242 0.405 18522 10945 1 20 . 1 1 3 3 PRO C C 15 177.225 177.225 176.890 0.335 18522 10946 1 20 . 1 1 3 3 PRO CA C 15 63.508 63.508 63.080 0.428 18522 10947 1 20 . 1 1 3 3 PRO CB C 15 32.090 32.090 32.344 -0.254 18522 10948 1 20 . 1 1 4 4 GLY N N 16 108.829 108.829 108.400 0.429 18522 10949 1 20 . 1 1 4 4 GLY C C 16 173.398 173.398 174.118 -0.720 18522 10950 1 20 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.459 0.669 18522 10951 1 20 . 1 1 4 4 GLY H H 16 8.489 8.489 7.972 0.517 18522 10952 1 20 . 1 1 5 5 ILE N N 17 121.763 121.763 120.554 1.209 18522 10953 1 20 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.587 -0.033 18522 10954 1 20 . 1 1 5 5 ILE C C 17 174.332 174.332 175.420 -1.088 18522 10955 1 20 . 1 1 5 5 ILE CA C 17 58.245 58.245 58.715 -0.470 18522 10956 1 20 . 1 1 5 5 ILE CB C 17 38.762 38.762 38.190 0.572 18522 10957 1 20 . 1 1 5 5 ILE H H 17 8.014 8.014 8.201 -0.187 18522 10958 1 20 . 1 1 6 6 PRO C C 18 176.437 176.437 176.333 0.104 18522 10959 1 20 . 1 1 6 6 PRO CA C 18 62.667 62.667 63.980 -1.313 18522 10960 1 20 . 1 1 6 6 PRO CB C 18 32.469 32.469 32.080 0.389 18522 10961 1 20 . 1 1 7 7 VAL N N 19 123.849 123.849 118.654 5.195 18522 10962 1 20 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.594 -0.044 18522 10963 1 20 . 1 1 7 7 VAL C C 19 174.453 174.453 173.450 1.003 18522 10964 1 20 . 1 1 7 7 VAL CA C 19 59.846 59.846 59.323 0.523 18522 10965 1 20 . 1 1 7 7 VAL CB C 19 33.510 33.510 33.675 -0.165 18522 10966 1 20 . 1 1 7 7 VAL H H 19 8.754 8.754 7.977 0.777 18522 10967 1 20 . 1 1 8 8 PRO HA H 20 5.338 5.338 5.366 -0.028 18522 10968 1 20 . 1 1 8 8 PRO C C 20 177.585 177.585 176.325 1.260 18522 10969 1 20 . 1 1 8 8 PRO CA C 20 62.406 62.406 61.278 1.128 18522 10970 1 20 . 1 1 8 8 PRO CB C 20 32.891 32.891 32.797 0.094 18522 10971 1 20 . 1 1 9 9 GLY N N 21 108.426 108.426 108.596 -0.170 18522 10972 1 20 . 1 1 9 9 GLY C C 21 171.443 171.443 170.841 0.602 18522 10973 1 20 . 1 1 9 9 GLY CA C 21 44.581 44.581 45.203 -0.622 18522 10974 1 20 . 1 1 9 9 GLY H H 21 8.258 8.258 7.576 0.682 18522 10975 1 20 . 1 1 10 10 LYS N N 22 117.372 117.372 118.014 -0.642 18522 10976 1 20 . 1 1 10 10 LYS HA H 22 4.039 4.039 5.045 -1.006 18522 10977 1 20 . 1 1 10 10 LYS C C 22 174.463 174.463 175.038 -0.575 18522 10978 1 20 . 1 1 10 10 LYS CA C 22 55.263 55.263 54.469 0.794 18522 10979 1 20 . 1 1 10 10 LYS CB C 22 35.227 35.227 36.379 -1.152 18522 10980 1 20 . 1 1 10 10 LYS H H 22 8.175 8.175 7.875 0.300 18522 10981 1 20 . 1 1 11 11 VAL N N 23 120.387 120.387 116.455 3.932 18522 10982 1 20 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.562 0.146 18522 10983 1 20 . 1 1 11 11 VAL C C 23 171.873 171.873 174.488 -2.615 18522 10984 1 20 . 1 1 11 11 VAL CA C 23 59.866 59.866 60.268 -0.402 18522 10985 1 20 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.045 0.224 18522 10986 1 20 . 1 1 11 11 VAL H H 23 8.862 8.862 8.317 0.545 18522 10987 1 20 . 1 1 12 12 THR N N 24 125.797 125.797 121.336 4.461 18522 10988 1 20 . 1 1 12 12 THR HA H 24 5.121 5.121 4.947 0.174 18522 10989 1 20 . 1 1 12 12 THR C C 24 173.407 173.407 173.413 -0.006 18522 10990 1 20 . 1 1 12 12 THR CA C 24 62.115 62.115 60.717 1.398 18522 10991 1 20 . 1 1 12 12 THR CB C 24 69.606 69.606 68.992 0.614 18522 10992 1 20 . 1 1 12 12 THR H H 24 8.859 8.859 8.365 0.494 18522 10993 1 20 . 1 1 13 13 LEU N N 25 127.960 127.960 127.901 0.059 18522 10994 1 20 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.864 -0.055 18522 10995 1 20 . 1 1 13 13 LEU C C 25 175.029 175.029 175.271 -0.242 18522 10996 1 20 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.309 0.314 18522 10997 1 20 . 1 1 13 13 LEU CB C 25 46.242 46.242 44.882 1.360 18522 10998 1 20 . 1 1 13 13 LEU H H 25 9.258 9.258 8.083 1.175 18522 10999 1 20 . 1 1 14 14 GLN N N 26 120.858 120.858 117.698 3.160 18522 11000 1 20 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.588 -0.106 18522 11001 1 20 . 1 1 14 14 GLN C C 26 174.515 174.515 175.002 -0.487 18522 11002 1 20 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.309 0.267 18522 11003 1 20 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.910 -2.394 18522 11004 1 20 . 1 1 14 14 GLN H H 26 8.530 8.530 8.321 0.209 18522 11005 1 20 . 1 1 15 15 LYS N N 27 119.583 119.583 122.911 -3.328 18522 11006 1 20 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.212 -0.032 18522 11007 1 20 . 1 1 15 15 LYS C C 27 177.468 177.468 176.928 0.540 18522 11008 1 20 . 1 1 15 15 LYS CA C 27 55.956 55.956 57.073 -1.117 18522 11009 1 20 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.555 1.544 18522 11010 1 20 . 1 1 15 15 LYS H H 27 8.099 8.099 8.058 0.041 18522 11011 1 20 . 1 1 16 16 ASP N N 28 121.439 121.439 122.800 -1.361 18522 11012 1 20 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.608 -0.018 18522 11013 1 20 . 1 1 16 16 ASP C C 28 178.392 178.392 178.082 0.310 18522 11014 1 20 . 1 1 16 16 ASP CA C 28 52.426 52.426 54.203 -1.777 18522 11015 1 20 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.572 -1.196 18522 11016 1 20 . 1 1 16 16 ASP H H 28 8.888 8.888 8.648 0.240 18522 11017 1 20 . 1 1 17 17 ALA N N 29 119.578 119.578 123.583 -4.005 18522 11018 1 20 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.144 0.044 18522 11019 1 20 . 1 1 17 17 ALA C C 29 178.763 178.763 178.477 0.286 18522 11020 1 20 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.317 0.117 18522 11021 1 20 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.673 -0.380 18522 11022 1 20 . 1 1 17 17 ALA H H 29 8.392 8.392 8.592 -0.200 18522 11023 1 20 . 1 1 18 18 GLN N N 30 117.564 117.564 117.685 -0.121 18522 11024 1 20 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.352 0.047 18522 11025 1 20 . 1 1 18 18 GLN C C 30 175.168 175.168 175.276 -0.108 18522 11026 1 20 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.131 0.208 18522 11027 1 20 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.185 -0.596 18522 11028 1 20 . 1 1 18 18 GLN H H 30 8.353 8.353 7.913 0.440 18522 11029 1 20 . 1 1 19 19 ASN N N 31 115.365 115.365 114.825 0.540 18522 11030 1 20 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.422 -0.107 18522 11031 1 20 . 1 1 19 19 ASN C C 31 174.043 174.043 173.164 0.879 18522 11032 1 20 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.589 -0.286 18522 11033 1 20 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.360 0.250 18522 11034 1 20 . 1 1 19 19 ASN H H 31 8.521 8.521 8.242 0.279 18522 11035 1 20 . 1 1 20 20 LEU N N 32 118.660 118.660 112.958 5.702 18522 11036 1 20 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.918 -0.018 18522 11037 1 20 . 1 1 20 20 LEU C C 32 178.117 178.117 176.773 1.344 18522 11038 1 20 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.698 0.259 18522 11039 1 20 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.107 1.667 18522 11040 1 20 . 1 1 20 20 LEU H H 32 8.155 8.155 7.422 0.733 18522 11041 1 20 . 1 1 21 21 ILE N N 33 116.785 116.785 116.226 0.559 18522 11042 1 20 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.511 0.163 18522 11043 1 20 . 1 1 21 21 ILE C C 33 176.185 176.185 176.621 -0.436 18522 11044 1 20 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.411 1.191 18522 11045 1 20 . 1 1 21 21 ILE CB C 33 39.016 39.016 38.766 0.250 18522 11046 1 20 . 1 1 21 21 ILE H H 33 11.488 11.488 7.783 3.705 18522 11047 1 20 . 1 1 22 22 GLY N N 34 111.234 111.234 107.855 3.379 18522 11048 1 20 . 1 1 22 22 GLY C C 34 173.993 173.993 174.368 -0.375 18522 11049 1 20 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.023 0.957 18522 11050 1 20 . 1 1 22 22 GLY H H 34 9.854 9.854 7.617 2.237 18522 11051 1 20 . 1 1 23 23 ILE N N 35 111.117 111.117 114.848 -3.731 18522 11052 1 20 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.148 0.387 18522 11053 1 20 . 1 1 23 23 ILE C C 35 175.033 175.033 174.103 0.930 18522 11054 1 20 . 1 1 23 23 ILE CA C 35 58.415 58.415 58.129 0.286 18522 11055 1 20 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.736 -0.159 18522 11056 1 20 . 1 1 23 23 ILE H H 35 7.835 7.835 7.552 0.283 18522 11057 1 20 . 1 1 24 24 SER N N 36 114.908 114.908 116.050 -1.142 18522 11058 1 20 . 1 1 24 24 SER HA H 36 4.232 4.232 5.068 -0.836 18522 11059 1 20 . 1 1 24 24 SER C C 36 174.735 174.735 173.277 1.458 18522 11060 1 20 . 1 1 24 24 SER CA C 36 56.121 56.121 57.355 -1.234 18522 11061 1 20 . 1 1 24 24 SER CB C 36 66.097 66.097 64.808 1.289 18522 11062 1 20 . 1 1 24 24 SER H H 36 8.623 8.623 8.199 0.424 18522 11063 1 20 . 1 1 25 25 ILE N N 37 117.739 117.739 122.769 -5.030 18522 11064 1 20 . 1 1 25 25 ILE C C 37 174.340 174.340 175.380 -1.040 18522 11065 1 20 . 1 1 25 25 ILE CA C 37 59.123 59.123 59.161 -0.038 18522 11066 1 20 . 1 1 25 25 ILE CB C 37 41.637 41.637 41.450 0.187 18522 11067 1 20 . 1 1 25 25 ILE H H 37 9.130 9.130 8.654 0.476 18522 11068 1 20 . 1 1 26 26 GLY N N 38 108.069 108.069 106.735 1.334 18522 11069 1 20 . 1 1 26 26 GLY CA C 38 44.112 44.112 45.476 -1.364 18522 11070 1 20 . 1 1 26 26 GLY H H 38 8.841 8.841 7.649 1.192 18522 11071 1 20 . 1 1 27 27 GLY N N 39 109.016 109.016 109.592 -0.576 18522 11072 1 20 . 1 1 27 27 GLY C C 39 173.956 173.956 174.521 -0.565 18522 11073 1 20 . 1 1 27 27 GLY H H 39 8.187 8.187 8.177 0.010 18522 11074 1 20 . 1 1 28 28 GLY N N 40 111.783 111.783 108.448 3.335 18522 11075 1 20 . 1 1 28 28 GLY C C 40 174.255 174.255 175.218 -0.963 18522 11076 1 20 . 1 1 28 28 GLY CA C 40 47.098 47.098 46.788 0.311 18522 11077 1 20 . 1 1 28 28 GLY H H 40 8.275 8.275 8.151 0.124 18522 11078 1 20 . 1 1 29 29 ALA N N 41 123.128 123.128 121.287 1.841 18522 11079 1 20 . 1 1 29 29 ALA HA H 41 4.559 4.559 3.851 0.708 18522 11080 1 20 . 1 1 29 29 ALA CA C 41 51.073 51.073 53.953 -2.880 18522 11081 1 20 . 1 1 29 29 ALA CB C 41 21.926 21.926 17.327 4.599 18522 11082 1 20 . 1 1 29 29 ALA H H 41 8.012 8.012 8.224 -0.212 18522 11083 1 20 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.155 0.394 18522 11084 1 20 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.565 -2.418 18522 11085 1 20 . 1 1 31 31 TYR CB C 43 37.495 37.495 36.147 1.348 18522 11086 1 20 . 1 1 32 32 CYS N N 44 119.332 119.332 118.061 1.271 18522 11087 1 20 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.692 0.167 18522 11088 1 20 . 1 1 32 32 CYS CA C 44 57.406 57.406 55.920 1.486 18522 11089 1 20 . 1 1 32 32 CYS CB C 44 27.673 27.673 29.024 -1.351 18522 11090 1 20 . 1 1 32 32 CYS H H 44 7.504 7.504 7.854 -0.350 18522 11091 1 20 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.448 -0.035 18522 11092 1 20 . 1 1 33 33 PRO CA C 45 64.885 64.885 63.046 1.839 18522 11093 1 20 . 1 1 33 33 PRO CB C 45 32.318 32.318 31.922 0.396 18522 11094 1 20 . 1 1 34 34 CYS N N 46 117.327 117.327 113.585 3.742 18522 11095 1 20 . 1 1 34 34 CYS C C 46 172.064 172.064 174.512 -2.448 18522 11096 1 20 . 1 1 34 34 CYS CA C 46 60.066 60.066 59.811 0.255 18522 11097 1 20 . 1 1 34 34 CYS CB C 46 28.715 28.715 27.434 1.281 18522 11098 1 20 . 1 1 34 34 CYS H H 46 7.973 7.973 8.294 -0.321 18522 11099 1 20 . 1 1 35 35 LEU N N 47 124.270 124.270 123.159 1.111 18522 11100 1 20 . 1 1 35 35 LEU HA H 47 4.928 4.928 5.033 -0.105 18522 11101 1 20 . 1 1 35 35 LEU C C 47 175.076 175.076 176.559 -1.483 18522 11102 1 20 . 1 1 35 35 LEU CA C 47 53.278 53.278 54.168 -0.890 18522 11103 1 20 . 1 1 35 35 LEU CB C 47 44.321 44.321 44.434 -0.113 18522 11104 1 20 . 1 1 35 35 LEU H H 47 8.629 8.629 8.640 -0.011 18522 11105 1 20 . 1 1 36 36 TYR N N 48 119.326 119.326 114.767 4.559 18522 11106 1 20 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.904 0.351 18522 11107 1 20 . 1 1 36 36 TYR C C 48 175.766 175.766 173.781 1.985 18522 11108 1 20 . 1 1 36 36 TYR CA C 48 56.696 56.696 55.674 1.022 18522 11109 1 20 . 1 1 36 36 TYR CB C 48 42.590 42.590 41.038 1.552 18522 11110 1 20 . 1 1 36 36 TYR H H 48 8.761 8.761 8.335 0.426 18522 11111 1 20 . 1 1 37 37 ILE N N 49 120.259 120.259 122.014 -1.755 18522 11112 1 20 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.465 -0.250 18522 11113 1 20 . 1 1 37 37 ILE C C 49 177.429 177.429 175.392 2.037 18522 11114 1 20 . 1 1 37 37 ILE CA C 49 62.456 62.456 59.288 3.168 18522 11115 1 20 . 1 1 37 37 ILE CB C 49 37.352 37.352 39.617 -2.265 18522 11116 1 20 . 1 1 37 37 ILE H H 49 8.959 8.959 8.650 0.309 18522 11117 1 20 . 1 1 38 38 VAL HA H 50 3.937 3.937 3.901 0.036 18522 11118 1 20 . 1 1 38 38 VAL C C 50 174.408 174.408 175.350 -0.942 18522 11119 1 20 . 1 1 38 38 VAL CA C 50 62.259 62.259 63.787 -1.528 18522 11120 1 20 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.512 -0.928 18522 11121 1 20 . 1 1 39 39 GLN N N 51 116.821 116.821 116.689 0.132 18522 11122 1 20 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.464 -0.361 18522 11123 1 20 . 1 1 39 39 GLN C C 51 172.856 172.856 172.955 -0.099 18522 11124 1 20 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.213 -0.086 18522 11125 1 20 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.465 -0.089 18522 11126 1 20 . 1 1 39 39 GLN H H 51 6.967 6.967 7.560 -0.593 18522 11127 1 20 . 1 1 40 40 VAL N N 52 123.482 123.482 119.987 3.495 18522 11128 1 20 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.601 -0.324 18522 11129 1 20 . 1 1 40 40 VAL C C 52 176.198 176.198 173.958 2.240 18522 11130 1 20 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.567 2.007 18522 11131 1 20 . 1 1 40 40 VAL CB C 52 32.875 32.875 34.703 -1.828 18522 11132 1 20 . 1 1 40 40 VAL H H 52 8.447 8.447 8.201 0.246 18522 11133 1 20 . 1 1 41 41 PHE N N 53 128.296 128.296 124.705 3.591 18522 11134 1 20 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.689 -0.289 18522 11135 1 20 . 1 1 41 41 PHE C C 53 175.299 175.299 175.242 0.057 18522 11136 1 20 . 1 1 41 41 PHE CA C 53 58.494 58.494 58.038 0.456 18522 11137 1 20 . 1 1 41 41 PHE CB C 53 39.561 39.561 39.573 -0.012 18522 11138 1 20 . 1 1 41 41 PHE H H 53 8.707 8.707 8.104 0.603 18522 11139 1 20 . 1 1 42 42 ASP N N 54 122.696 122.696 115.649 7.047 18522 11140 1 20 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.664 -0.392 18522 11141 1 20 . 1 1 42 42 ASP C C 54 176.837 176.837 175.925 0.912 18522 11142 1 20 . 1 1 42 42 ASP CA C 54 55.291 55.291 54.858 0.433 18522 11143 1 20 . 1 1 42 42 ASP CB C 54 41.093 41.093 42.596 -1.503 18522 11144 1 20 . 1 1 42 42 ASP H H 54 8.901 8.901 8.455 0.446 18522 11145 1 20 . 1 1 43 43 ASN N N 55 113.923 113.923 116.780 -2.857 18522 11146 1 20 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.818 -0.560 18522 11147 1 20 . 1 1 43 43 ASN C C 55 173.714 173.714 174.589 -0.875 18522 11148 1 20 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.563 1.395 18522 11149 1 20 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.404 -2.254 18522 11150 1 20 . 1 1 43 43 ASN H H 55 9.319 9.319 8.216 1.103 18522 11151 1 20 . 1 1 44 44 THR N N 56 108.020 108.020 110.737 -2.717 18522 11152 1 20 . 1 1 44 44 THR HA H 56 5.377 5.377 4.782 0.595 18522 11153 1 20 . 1 1 44 44 THR CA C 56 59.712 59.712 59.270 0.442 18522 11154 1 20 . 1 1 44 44 THR CB C 56 69.529 69.529 69.803 -0.274 18522 11155 1 20 . 1 1 44 44 THR H H 56 7.149 7.149 7.463 -0.314 18522 11156 1 20 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.075 0.229 18522 11157 1 20 . 1 1 45 45 PRO C C 57 180.141 180.141 177.747 2.394 18522 11158 1 20 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.616 0.474 18522 11159 1 20 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.572 1.622 18522 11160 1 20 . 1 1 46 46 ALA N N 58 116.854 116.854 119.408 -2.554 18522 11161 1 20 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.083 -0.048 18522 11162 1 20 . 1 1 46 46 ALA C C 58 180.647 180.647 180.021 0.626 18522 11163 1 20 . 1 1 46 46 ALA CA C 58 55.195 55.195 54.912 0.283 18522 11164 1 20 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.123 0.757 18522 11165 1 20 . 1 1 46 46 ALA H H 58 8.938 8.938 7.834 1.104 18522 11166 1 20 . 1 1 47 47 ALA N N 59 123.250 123.250 121.806 1.444 18522 11167 1 20 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.058 -0.028 18522 11168 1 20 . 1 1 47 47 ALA C C 59 179.852 179.852 179.541 0.311 18522 11169 1 20 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.758 0.181 18522 11170 1 20 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.724 0.964 18522 11171 1 20 . 1 1 47 47 ALA H H 59 7.658 7.658 7.445 0.213 18522 11172 1 20 . 1 1 48 48 LEU N N 60 118.654 118.654 119.112 -0.458 18522 11173 1 20 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.205 -0.179 18522 11174 1 20 . 1 1 48 48 LEU C C 60 179.238 179.238 177.851 1.387 18522 11175 1 20 . 1 1 48 48 LEU CA C 60 57.261 57.261 57.882 -0.621 18522 11176 1 20 . 1 1 48 48 LEU CB C 60 41.445 41.445 40.371 1.074 18522 11177 1 20 . 1 1 48 48 LEU H H 60 8.636 8.636 8.548 0.088 18522 11178 1 20 . 1 1 49 49 ASP N N 61 117.382 117.382 119.603 -2.221 18522 11179 1 20 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.634 -0.213 18522 11180 1 20 . 1 1 49 49 ASP C C 61 177.668 177.668 177.515 0.153 18522 11181 1 20 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.560 2.527 18522 11182 1 20 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.681 2.797 18522 11183 1 20 . 1 1 49 49 ASP H H 61 7.665 7.665 7.828 -0.163 18522 11184 1 20 . 1 1 50 50 GLY N N 62 103.228 103.228 107.720 -4.492 18522 11185 1 20 . 1 1 50 50 GLY C C 62 174.776 174.776 174.953 -0.177 18522 11186 1 20 . 1 1 50 50 GLY CA C 62 46.533 46.533 46.096 0.437 18522 11187 1 20 . 1 1 50 50 GLY H H 62 7.216 7.216 7.620 -0.404 18522 11188 1 20 . 1 1 51 51 THR N N 63 117.230 117.230 109.171 8.059 18522 11189 1 20 . 1 1 51 51 THR HA H 63 3.907 3.907 3.851 0.056 18522 11190 1 20 . 1 1 51 51 THR C C 63 175.961 175.961 174.284 1.677 18522 11191 1 20 . 1 1 51 51 THR CA C 63 66.478 66.478 62.576 3.902 18522 11192 1 20 . 1 1 51 51 THR CB C 63 68.268 68.268 67.412 0.856 18522 11193 1 20 . 1 1 51 51 THR H H 63 8.319 8.319 7.662 0.657 18522 11194 1 20 . 1 1 52 52 VAL N N 64 113.826 113.826 116.060 -2.234 18522 11195 1 20 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.395 -0.445 18522 11196 1 20 . 1 1 52 52 VAL C C 64 173.883 173.883 174.789 -0.906 18522 11197 1 20 . 1 1 52 52 VAL CA C 64 60.708 60.708 60.373 0.335 18522 11198 1 20 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.681 2.398 18522 11199 1 20 . 1 1 52 52 VAL H H 64 8.147 8.147 7.217 0.930 18522 11200 1 20 . 1 1 53 53 ALA N N 65 123.521 123.521 123.215 0.306 18522 11201 1 20 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.457 -0.043 18522 11202 1 20 . 1 1 53 53 ALA C C 65 175.247 175.247 176.599 -1.352 18522 11203 1 20 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.590 -0.150 18522 11204 1 20 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.375 2.891 18522 11205 1 20 . 1 1 53 53 ALA H H 65 8.633 8.633 7.501 1.132 18522 11206 1 20 . 1 1 54 54 ALA N N 66 120.818 120.818 122.231 -1.413 18522 11207 1 20 . 1 1 54 54 ALA HA H 66 3.720 3.720 3.819 -0.099 18522 11208 1 20 . 1 1 54 54 ALA C C 66 178.411 178.411 178.318 0.093 18522 11209 1 20 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.114 -0.098 18522 11210 1 20 . 1 1 54 54 ALA CB C 66 17.840 17.840 18.383 -0.543 18522 11211 1 20 . 1 1 54 54 ALA H H 66 8.451 8.451 8.345 0.106 18522 11212 1 20 . 1 1 55 55 GLY N N 67 112.260 112.260 112.573 -0.313 18522 11213 1 20 . 1 1 55 55 GLY C C 67 173.296 173.296 173.860 -0.564 18522 11214 1 20 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.754 0.271 18522 11215 1 20 . 1 1 55 55 GLY H H 67 9.600 9.600 8.495 1.105 18522 11216 1 20 . 1 1 56 56 ASP N N 68 121.293 121.293 121.454 -0.161 18522 11217 1 20 . 1 1 56 56 ASP HA H 68 4.861 4.861 5.100 -0.239 18522 11218 1 20 . 1 1 56 56 ASP C C 68 174.937 174.937 175.013 -0.076 18522 11219 1 20 . 1 1 56 56 ASP CA C 68 55.641 55.641 53.207 2.434 18522 11220 1 20 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.906 -2.210 18522 11221 1 20 . 1 1 56 56 ASP H H 68 8.043 8.043 7.526 0.517 18522 11222 1 20 . 1 1 57 57 GLU N N 69 122.814 122.814 117.988 4.826 18522 11223 1 20 . 1 1 57 57 GLU C C 69 177.202 177.202 174.642 2.560 18522 11224 1 20 . 1 1 57 57 GLU CA C 69 54.472 54.472 55.224 -0.752 18522 11225 1 20 . 1 1 57 57 GLU CB C 69 32.800 32.800 34.076 -1.276 18522 11226 1 20 . 1 1 57 57 GLU H H 69 8.455 8.455 8.098 0.357 18522 11227 1 20 . 1 1 58 58 ILE N N 70 125.862 125.862 120.750 5.112 18522 11228 1 20 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.522 0.004 18522 11229 1 20 . 1 1 58 58 ILE C C 70 175.035 175.035 175.087 -0.052 18522 11230 1 20 . 1 1 58 58 ILE CA C 70 60.918 60.918 59.618 1.300 18522 11231 1 20 . 1 1 58 58 ILE CB C 70 39.236 39.236 40.321 -1.085 18522 11232 1 20 . 1 1 58 58 ILE H H 70 8.619 8.619 8.123 0.496 18522 11233 1 20 . 1 1 59 59 THR N N 71 115.507 115.507 118.450 -2.943 18522 11234 1 20 . 1 1 59 59 THR HA H 71 4.513 4.513 4.661 -0.148 18522 11235 1 20 . 1 1 59 59 THR C C 71 176.425 176.425 173.751 2.674 18522 11236 1 20 . 1 1 59 59 THR CA C 71 61.158 61.158 61.365 -0.207 18522 11237 1 20 . 1 1 59 59 THR CB C 71 69.604 69.604 70.500 -0.896 18522 11238 1 20 . 1 1 59 59 THR H H 71 9.242 9.242 9.162 0.080 18522 11239 1 20 . 1 1 60 60 GLY N N 72 111.789 111.789 108.639 3.150 18522 11240 1 20 . 1 1 60 60 GLY C C 72 170.981 170.981 171.448 -0.467 18522 11241 1 20 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.479 1.075 18522 11242 1 20 . 1 1 60 60 GLY H H 72 7.883 7.883 7.719 0.164 18522 11243 1 20 . 1 1 61 61 VAL N N 73 119.277 119.277 120.627 -1.350 18522 11244 1 20 . 1 1 61 61 VAL C C 73 175.951 175.951 175.392 0.559 18522 11245 1 20 . 1 1 61 61 VAL CA C 73 60.982 60.982 59.372 1.610 18522 11246 1 20 . 1 1 61 61 VAL CB C 73 36.197 36.197 33.453 2.744 18522 11247 1 20 . 1 1 61 61 VAL H H 73 8.424 8.424 8.953 -0.529 18522 11248 1 20 . 1 1 62 62 ASN N N 74 127.731 127.731 127.862 -0.131 18522 11249 1 20 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.530 -0.010 18522 11250 1 20 . 1 1 62 62 ASN C C 74 174.878 174.878 174.867 0.011 18522 11251 1 20 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.110 0.308 18522 11252 1 20 . 1 1 62 62 ASN CB C 74 36.655 36.655 37.536 -0.881 18522 11253 1 20 . 1 1 62 62 ASN H H 74 10.384 10.384 8.918 1.466 18522 11254 1 20 . 1 1 63 63 GLY N N 75 104.633 104.633 103.840 0.793 18522 11255 1 20 . 1 1 63 63 GLY C C 75 173.610 173.610 173.199 0.411 18522 11256 1 20 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.936 0.325 18522 11257 1 20 . 1 1 63 63 GLY H H 75 8.926 8.926 8.215 0.711 18522 11258 1 20 . 1 1 64 64 ARG N N 76 120.451 120.451 121.418 -0.967 18522 11259 1 20 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.587 -0.086 18522 11260 1 20 . 1 1 64 64 ARG C C 76 175.085 175.085 175.633 -0.548 18522 11261 1 20 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.502 -0.249 18522 11262 1 20 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.671 -0.189 18522 11263 1 20 . 1 1 64 64 ARG H H 76 7.753 7.753 7.940 -0.187 18522 11264 1 20 . 1 1 65 65 SER N N 77 116.586 116.586 118.574 -1.988 18522 11265 1 20 . 1 1 65 65 SER HA H 77 4.483 4.483 4.565 -0.082 18522 11266 1 20 . 1 1 65 65 SER C C 77 176.953 176.953 176.042 0.911 18522 11267 1 20 . 1 1 65 65 SER CA C 77 58.292 58.292 59.015 -0.723 18522 11268 1 20 . 1 1 65 65 SER CB C 77 63.643 63.643 63.687 -0.044 18522 11269 1 20 . 1 1 65 65 SER H H 77 8.555 8.555 8.802 -0.247 18522 11270 1 20 . 1 1 66 66 ILE N N 78 116.618 116.618 120.982 -4.364 18522 11271 1 20 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.278 0.142 18522 11272 1 20 . 1 1 66 66 ILE C C 78 175.072 175.072 177.371 -2.299 18522 11273 1 20 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.318 -2.196 18522 11274 1 20 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.240 -0.482 18522 11275 1 20 . 1 1 66 66 ILE H H 78 7.599 7.599 8.050 -0.451 18522 11276 1 20 . 1 1 67 67 LYS N N 79 123.287 123.287 122.552 0.735 18522 11277 1 20 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.010 0.039 18522 11278 1 20 . 1 1 67 67 LYS C C 79 178.333 178.333 177.770 0.563 18522 11279 1 20 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.551 -0.230 18522 11280 1 20 . 1 1 67 67 LYS CB C 79 31.635 31.635 32.118 -0.483 18522 11281 1 20 . 1 1 67 67 LYS H H 79 7.898 7.898 8.577 -0.679 18522 11282 1 20 . 1 1 68 68 GLY N N 80 114.933 114.933 106.692 8.241 18522 11283 1 20 . 1 1 68 68 GLY C C 80 174.385 174.385 174.663 -0.278 18522 11284 1 20 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.779 -0.261 18522 11285 1 20 . 1 1 68 68 GLY H H 80 8.999 8.999 8.550 0.449 18522 11286 1 20 . 1 1 69 69 LYS N N 81 119.403 119.403 119.163 0.240 18522 11287 1 20 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.583 -0.540 18522 11288 1 20 . 1 1 69 69 LYS C C 81 177.064 177.064 174.760 2.304 18522 11289 1 20 . 1 1 69 69 LYS CA C 81 54.722 54.722 54.950 -0.228 18522 11290 1 20 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.461 0.099 18522 11291 1 20 . 1 1 69 69 LYS H H 81 7.845 7.845 7.883 -0.038 18522 11292 1 20 . 1 1 70 70 THR N N 82 112.066 112.066 110.178 1.888 18522 11293 1 20 . 1 1 70 70 THR HA H 82 4.666 4.666 4.624 0.042 18522 11294 1 20 . 1 1 70 70 THR C C 82 175.955 175.955 175.556 0.399 18522 11295 1 20 . 1 1 70 70 THR CA C 82 60.438 60.438 60.281 0.157 18522 11296 1 20 . 1 1 70 70 THR CB C 82 71.629 71.629 72.562 -0.933 18522 11297 1 20 . 1 1 70 70 THR H H 82 9.153 9.153 7.935 1.218 18522 11298 1 20 . 1 1 71 71 LYS N N 83 118.730 118.730 123.604 -4.874 18522 11299 1 20 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.899 -0.029 18522 11300 1 20 . 1 1 71 71 LYS C C 83 177.464 177.464 178.517 -1.053 18522 11301 1 20 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.542 0.815 18522 11302 1 20 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.499 -0.149 18522 11303 1 20 . 1 1 71 71 LYS H H 83 8.969 8.969 8.694 0.275 18522 11304 1 20 . 1 1 72 72 VAL N N 84 117.444 117.444 119.220 -1.776 18522 11305 1 20 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.731 -0.098 18522 11306 1 20 . 1 1 72 72 VAL C C 84 178.315 178.315 177.144 1.171 18522 11307 1 20 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.825 0.254 18522 11308 1 20 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.707 0.384 18522 11309 1 20 . 1 1 72 72 VAL H H 84 7.631 7.631 8.212 -0.581 18522 11310 1 20 . 1 1 73 73 GLU N N 85 120.890 120.890 119.237 1.653 18522 11311 1 20 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.050 -0.086 18522 11312 1 20 . 1 1 73 73 GLU C C 85 179.971 179.971 178.942 1.029 18522 11313 1 20 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.536 -0.220 18522 11314 1 20 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.700 0.655 18522 11315 1 20 . 1 1 73 73 GLU H H 85 7.617 7.617 7.655 -0.038 18522 11316 1 20 . 1 1 74 74 VAL N N 86 121.246 121.246 118.521 2.725 18522 11317 1 20 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.734 -0.104 18522 11318 1 20 . 1 1 74 74 VAL C C 86 177.217 177.217 177.585 -0.368 18522 11319 1 20 . 1 1 74 74 VAL CA C 86 66.678 66.678 66.137 0.541 18522 11320 1 20 . 1 1 74 74 VAL CB C 86 31.307 31.307 31.045 0.262 18522 11321 1 20 . 1 1 74 74 VAL H H 86 8.368 8.368 8.167 0.201 18522 11322 1 20 . 1 1 75 75 ALA N N 87 122.148 122.148 122.549 -0.401 18522 11323 1 20 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.951 -0.004 18522 11324 1 20 . 1 1 75 75 ALA C C 87 179.545 179.545 179.258 0.287 18522 11325 1 20 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.457 0.394 18522 11326 1 20 . 1 1 75 75 ALA CB C 87 18.491 18.491 17.919 0.572 18522 11327 1 20 . 1 1 75 75 ALA H H 87 8.577 8.577 8.273 0.304 18522 11328 1 20 . 1 1 76 76 LYS N N 88 117.733 117.733 119.217 -1.484 18522 11329 1 20 . 1 1 76 76 LYS HA H 88 4.051 4.051 4.010 0.041 18522 11330 1 20 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.378 0.015 18522 11331 1 20 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.331 -0.273 18522 11332 1 20 . 1 1 76 76 LYS H H 88 7.854 7.854 7.516 0.338 18522 11333 1 20 . 1 1 77 77 MET N N 89 117.676 117.676 119.078 -1.402 18522 11334 1 20 . 1 1 77 77 MET HA H 89 4.048 4.048 4.040 0.008 18522 11335 1 20 . 1 1 77 77 MET C C 89 178.791 178.791 178.825 -0.034 18522 11336 1 20 . 1 1 77 77 MET CA C 89 59.128 59.128 59.355 -0.227 18522 11337 1 20 . 1 1 77 77 MET CB C 89 33.801 33.801 32.508 1.293 18522 11338 1 20 . 1 1 77 77 MET H H 89 7.759 7.759 8.268 -0.509 18522 11339 1 20 . 1 1 78 78 ILE N N 90 117.305 117.305 119.152 -1.847 18522 11340 1 20 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.704 -0.114 18522 11341 1 20 . 1 1 78 78 ILE C C 90 178.658 178.658 178.099 0.559 18522 11342 1 20 . 1 1 78 78 ILE CA C 90 65.482 65.482 64.564 0.918 18522 11343 1 20 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.024 1.821 18522 11344 1 20 . 1 1 78 78 ILE H H 90 7.972 7.972 8.369 -0.397 18522 11345 1 20 . 1 1 79 79 GLN N N 91 120.935 120.935 117.972 2.963 18522 11346 1 20 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.341 -0.343 18522 11347 1 20 . 1 1 79 79 GLN C C 91 178.274 178.274 178.712 -0.438 18522 11348 1 20 . 1 1 79 79 GLN CA C 91 59.151 59.151 57.919 1.232 18522 11349 1 20 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.771 0.163 18522 11350 1 20 . 1 1 79 79 GLN H H 91 8.826 8.826 7.997 0.829 18522 11351 1 20 . 1 1 80 80 GLU N N 92 115.213 115.213 122.265 -7.052 18522 11352 1 20 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.098 -0.037 18522 11353 1 20 . 1 1 80 80 GLU C C 92 176.824 176.824 178.559 -1.735 18522 11354 1 20 . 1 1 80 80 GLU CA C 92 58.006 58.006 59.137 -1.131 18522 11355 1 20 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.438 0.452 18522 11356 1 20 . 1 1 80 80 GLU H H 92 8.020 8.020 8.463 -0.443 18522 11357 1 20 . 1 1 81 81 VAL N N 93 119.047 119.047 116.332 2.715 18522 11358 1 20 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.744 0.186 18522 11359 1 20 . 1 1 81 81 VAL C C 93 176.016 176.016 175.501 0.515 18522 11360 1 20 . 1 1 81 81 VAL CA C 93 63.153 63.153 64.105 -0.952 18522 11361 1 20 . 1 1 81 81 VAL CB C 93 32.154 32.154 31.891 0.263 18522 11362 1 20 . 1 1 81 81 VAL H H 93 7.073 7.073 7.574 -0.501 18522 11363 1 20 . 1 1 82 82 LYS N N 94 128.366 128.366 118.499 9.867 18522 11364 1 20 . 1 1 82 82 LYS C C 94 177.460 177.460 176.577 0.883 18522 11365 1 20 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.237 -1.484 18522 11366 1 20 . 1 1 82 82 LYS CB C 94 32.332 32.332 31.907 0.425 18522 11367 1 20 . 1 1 82 82 LYS H H 94 8.762 8.762 7.685 1.077 18522 11368 1 20 . 1 1 83 83 GLY N N 95 112.528 112.528 112.771 -0.243 18522 11369 1 20 . 1 1 83 83 GLY C C 95 173.468 173.468 173.118 0.350 18522 11370 1 20 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.062 1.181 18522 11371 1 20 . 1 1 83 83 GLY H H 95 8.673 8.673 8.850 -0.177 18522 11372 1 20 . 1 1 84 84 GLU N N 96 121.485 121.485 120.864 0.621 18522 11373 1 20 . 1 1 84 84 GLU HA H 96 4.749 4.749 5.034 -0.285 18522 11374 1 20 . 1 1 84 84 GLU C C 96 174.583 174.583 174.428 0.155 18522 11375 1 20 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.772 1.049 18522 11376 1 20 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.879 -2.469 18522 11377 1 20 . 1 1 84 84 GLU H H 96 8.297 8.297 7.496 0.801 18522 11378 1 20 . 1 1 85 85 VAL N N 97 120.501 120.501 111.591 8.910 18522 11379 1 20 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.737 -0.072 18522 11380 1 20 . 1 1 85 85 VAL C C 97 173.047 173.047 173.919 -0.872 18522 11381 1 20 . 1 1 85 85 VAL CA C 97 60.114 60.114 59.822 0.292 18522 11382 1 20 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.130 0.054 18522 11383 1 20 . 1 1 85 85 VAL H H 97 9.096 9.096 8.622 0.474 18522 11384 1 20 . 1 1 86 86 THR N N 98 125.019 125.019 115.140 9.879 18522 11385 1 20 . 1 1 86 86 THR HA H 98 4.076 4.076 5.123 -1.047 18522 11386 1 20 . 1 1 86 86 THR C C 98 173.807 173.807 174.494 -0.687 18522 11387 1 20 . 1 1 86 86 THR CA C 98 61.735 61.735 60.229 1.506 18522 11388 1 20 . 1 1 86 86 THR CB C 98 69.531 69.531 69.801 -0.270 18522 11389 1 20 . 1 1 86 86 THR H H 98 9.352 9.352 8.051 1.301 18522 11390 1 20 . 1 1 87 87 ILE N N 99 128.383 128.383 122.541 5.842 18522 11391 1 20 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.497 0.164 18522 11392 1 20 . 1 1 87 87 ILE C C 99 174.614 174.614 174.722 -0.108 18522 11393 1 20 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.301 -1.043 18522 11394 1 20 . 1 1 87 87 ILE CB C 99 38.528 38.528 37.589 0.939 18522 11395 1 20 . 1 1 87 87 ILE H H 99 9.329 9.329 8.370 0.959 18522 11396 1 20 . 1 1 88 88 HIS N N 100 128.279 128.279 127.970 0.309 18522 11397 1 20 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.187 -0.239 18522 11398 1 20 . 1 1 88 88 HIS C C 100 174.787 174.787 175.304 -0.517 18522 11399 1 20 . 1 1 88 88 HIS CA C 100 54.620 54.620 55.400 -0.780 18522 11400 1 20 . 1 1 88 88 HIS H H 100 8.647 8.647 8.301 0.346 18522 11401 1 20 . 1 1 89 89 TYR N N 101 121.320 121.320 122.817 -1.497 18522 11402 1 20 . 1 1 89 89 TYR HA H 101 5.947 5.947 4.952 0.995 18522 11403 1 20 . 1 1 89 89 TYR C C 101 173.769 173.769 173.252 0.517 18522 11404 1 20 . 1 1 89 89 TYR CA C 101 55.669 55.669 55.454 0.215 18522 11405 1 20 . 1 1 89 89 TYR CB C 101 42.195 42.195 40.699 1.496 18522 11406 1 20 . 1 1 89 89 TYR H H 101 8.414 8.414 8.732 -0.318 18522 11407 1 20 . 1 1 90 90 ASN N N 102 116.679 116.679 116.303 0.376 18522 11408 1 20 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.833 -0.498 18522 11409 1 20 . 1 1 90 90 ASN C C 102 175.406 175.406 174.242 1.164 18522 11410 1 20 . 1 1 90 90 ASN CA C 102 51.961 51.961 52.610 -0.649 18522 11411 1 20 . 1 1 90 90 ASN CB C 102 41.800 41.800 42.673 -0.873 18522 11412 1 20 . 1 1 90 90 ASN H H 102 9.282 9.282 8.779 0.503 18522 11413 1 20 . 1 1 91 91 LYS N N 103 124.129 124.129 121.462 2.667 18522 11414 1 20 . 1 1 91 91 LYS C C 103 176.678 176.678 175.552 1.126 18522 11415 1 20 . 1 1 91 91 LYS CA C 103 55.006 55.006 54.964 0.042 18522 11416 1 20 . 1 1 91 91 LYS H H 103 8.949 8.949 8.176 0.773 18522 11417 1 20 . 1 1 92 92 LEU N N 104 127.043 127.043 120.690 6.353 18522 11418 1 20 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.676 -0.251 18522 11419 1 20 . 1 1 92 92 LEU CA C 104 55.060 55.060 54.922 0.138 18522 11420 1 20 . 1 1 92 92 LEU CB C 104 42.559 42.559 44.042 -1.483 18522 11421 1 20 . 1 1 92 92 LEU H H 104 9.150 9.150 8.213 0.937 18522 11422 1 20 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.613 -0.298 18522 11423 1 20 . 1 1 93 93 GLN C C 105 175.070 175.070 174.897 0.173 18522 11424 1 20 . 1 1 93 93 GLN CA C 105 55.490 55.490 55.131 0.359 18522 11425 1 20 . 1 1 93 93 GLN CB C 105 28.909 28.909 29.634 -0.725 18522 11426 1 20 . 1 1 94 94 ALA N N 106 125.133 125.133 127.255 -2.122 18522 11427 1 20 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.551 -0.185 18522 11428 1 20 . 1 1 94 94 ALA C C 106 176.392 176.392 176.227 0.165 18522 11429 1 20 . 1 1 94 94 ALA CA C 106 51.723 51.723 51.696 0.027 18522 11430 1 20 . 1 1 94 94 ALA CB C 106 20.185 20.185 19.849 0.336 18522 11431 1 20 . 1 1 94 94 ALA H H 106 8.226 8.226 8.346 -0.120 18522 11432 1 20 . 1 1 95 95 ASP N N 107 122.013 122.013 118.202 3.811 18522 11433 1 20 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.812 -0.399 18522 11434 1 20 . 1 1 95 95 ASP C C 107 175.019 175.019 174.791 0.228 18522 11435 1 20 . 1 1 95 95 ASP CA C 107 55.642 55.642 52.436 3.206 18522 11436 1 20 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.903 -1.637 18522 11437 1 20 . 1 1 95 95 ASP H H 107 8.429 8.429 8.305 0.124 18522 11438 1 20 . 1 1 96 96 PRO HA H 108 4.207 4.207 4.057 0.150 18522 11439 1 20 . 1 1 96 96 PRO C C 108 178.840 178.840 178.382 0.458 18522 11440 1 20 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.318 -0.922 18522 11441 1 20 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.572 0.609 18522 11442 1 20 . 1 1 97 97 LYS N N 109 117.942 117.942 115.968 1.974 18522 11443 1 20 . 1 1 97 97 LYS HA H 109 4.143 4.143 3.999 0.144 18522 11444 1 20 . 1 1 97 97 LYS C C 109 178.099 178.099 179.010 -0.911 18522 11445 1 20 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.333 -1.166 18522 11446 1 20 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.517 0.133 18522 11447 1 20 . 1 1 97 97 LYS H H 109 8.335 8.335 8.499 -0.164 18522 11448 1 20 . 1 1 98 98 GLN N N 110 119.159 119.159 117.467 1.692 18522 11449 1 20 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.282 -0.152 18522 11450 1 20 . 1 1 98 98 GLN C C 110 178.298 178.298 177.990 0.308 18522 11451 1 20 . 1 1 98 98 GLN CA C 110 57.660 57.660 56.880 0.780 18522 11452 1 20 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.400 0.320 18522 11453 1 20 . 1 1 98 98 GLN H H 110 7.985 7.985 8.013 -0.028 18522 11454 1 20 . 1 1 99 99 LEU N N 111 120.490 120.490 121.402 -0.912 18522 11455 1 20 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.433 -0.556 18522 11456 1 20 . 1 1 99 99 LEU C C 111 177.729 177.729 177.971 -0.242 18522 11457 1 20 . 1 1 99 99 LEU CA C 111 57.049 57.049 57.258 -0.209 18522 11458 1 20 . 1 1 99 99 LEU CB C 111 41.466 41.466 42.197 -0.731 18522 11459 1 20 . 1 1 99 99 LEU H H 111 7.994 7.994 8.237 -0.243 18522 11460 1 20 . 1 1 100 100 GLU N N 112 118.251 118.251 119.527 -1.276 18522 11461 1 20 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.171 -0.199 18522 11462 1 20 . 1 1 100 100 GLU C C 112 178.402 178.402 179.072 -0.670 18522 11463 1 20 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.323 -0.267 18522 11464 1 20 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.151 0.581 18522 11465 1 20 . 1 1 100 100 GLU H H 112 7.760 7.760 8.650 -0.890 18522 11466 1 20 . 1 1 101 101 VAL N N 113 117.229 117.229 120.303 -3.074 18522 11467 1 20 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.888 -0.126 18522 11468 1 20 . 1 1 101 101 VAL C C 113 178.107 178.107 177.233 0.874 18522 11469 1 20 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.215 -0.424 18522 11470 1 20 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.650 0.499 18522 11471 1 20 . 1 1 101 101 VAL H H 113 7.437 7.437 7.639 -0.202 18522 11472 1 20 . 1 1 102 102 LEU N N 114 122.124 122.124 119.464 2.660 18522 11473 1 20 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.132 -0.099 18522 11474 1 20 . 1 1 102 102 LEU C C 114 178.506 178.506 177.802 0.704 18522 11475 1 20 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.972 0.271 18522 11476 1 20 . 1 1 102 102 LEU CB C 114 42.028 42.028 42.301 -0.273 18522 11477 1 20 . 1 1 102 102 LEU H H 114 7.765 7.765 7.290 0.475 18522 11478 1 20 . 1 1 103 103 PHE N N 115 115.346 115.346 117.957 -2.611 18522 11479 1 20 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.395 -0.171 18522 11480 1 20 . 1 1 103 103 PHE C C 115 175.621 175.621 176.276 -0.655 18522 11481 1 20 . 1 1 103 103 PHE CA C 115 57.537 57.537 59.203 -1.667 18522 11482 1 20 . 1 1 103 103 PHE CB C 115 38.057 38.057 40.797 -2.740 18522 11483 1 20 . 1 1 103 103 PHE H H 115 7.805 7.805 7.599 0.206 18522 11484 1 20 . 1 1 104 104 GLN N N 116 119.021 119.021 119.193 -0.172 18522 11485 1 20 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.119 0.288 18522 11486 1 20 . 1 1 104 104 GLN C C 116 176.402 176.402 174.280 2.122 18522 11487 1 20 . 1 1 104 104 GLN CA C 116 55.521 55.521 56.697 -1.175 18522 11488 1 20 . 1 1 104 104 GLN CB C 116 29.170 29.170 27.480 1.690 18522 11489 1 20 . 1 1 104 104 GLN H H 116 7.974 7.974 8.615 -0.641 18522 11490 1 20 . 1 1 105 105 GLY N N 117 108.868 108.868 111.256 -2.388 18522 11491 1 20 . 1 1 105 105 GLY CA C 117 45.124 45.124 45.206 -0.082 18522 11492 1 20 . 1 1 105 105 GLY H H 117 8.195 8.195 8.587 -0.392 18522 11493 1 20 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.448 0.042 18522 11494 1 20 . 1 1 106 106 PRO C C 118 176.001 176.001 176.709 -0.708 18522 11495 1 20 . 1 1 106 106 PRO CA C 118 63.523 63.523 63.639 -0.116 18522 11496 1 20 . 1 1 106 106 PRO CB C 118 32.078 32.078 32.176 -0.098 18522 11497 1 20 . 1 1 107 107 GLN N N 119 126.950 126.950 115.938 11.012 18522 11498 1 20 . 1 1 107 107 GLN C C 119 181.211 181.211 174.702 6.509 18522 11499 1 20 . 1 1 107 107 GLN CA C 119 57.416 57.416 57.142 0.275 18522 11500 1 20 . 1 1 107 107 GLN H H 119 8.079 8.079 8.746 -0.667 18522 11501 1 20 . 1 1 111 111 ARG C C 123 174.608 174.608 174.330 0.278 18522 11502 1 20 . 1 1 111 111 ARG CA C 123 55.099 55.099 53.679 1.419 18522 11503 1 20 . 1 1 112 112 HIS N N 124 122.212 122.212 120.874 1.338 18522 11504 1 20 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.181 0.537 18522 11505 1 20 . 1 1 112 112 HIS C C 124 176.040 176.040 174.926 1.114 18522 11506 1 20 . 1 1 112 112 HIS CA C 124 54.213 54.213 56.414 -2.201 18522 11507 1 20 . 1 1 112 112 HIS CB C 124 31.164 31.164 30.045 1.119 18522 11508 1 20 . 1 1 112 112 HIS H H 124 7.640 7.640 8.427 -0.787 18522 11509 1 20 . 1 1 113 113 TRP C C 125 176.168 176.168 175.607 0.561 18522 11510 1 20 . 1 1 114 114 LEU N N 126 121.893 121.893 120.293 1.600 18522 11511 1 20 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.728 0.141 18522 11512 1 20 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.672 0.479 18522 11513 1 20 . 1 1 114 114 LEU CB C 126 45.144 45.144 44.118 1.026 18522 11514 1 20 . 1 1 114 114 LEU H H 126 8.606 8.606 9.091 -0.485 18522 11515 1 20 . 1 1 115 115 LYS N N 127 125.850 125.850 121.774 4.076 18522 11516 1 20 . 1 1 115 115 LYS HA H 127 4.203 4.203 4.810 -0.607 18522 11517 1 20 . 1 1 115 115 LYS C C 127 175.564 175.564 174.312 1.252 18522 11518 1 20 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.405 1.847 18522 11519 1 20 . 1 1 115 115 LYS CB C 127 33.406 33.406 34.920 -1.514 18522 11520 1 20 . 1 1 115 115 LYS H H 127 8.647 8.647 8.204 0.443 18522 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 97 3.393 -0.315 3.396 18522 2 1 1 "Average Difference" HA 109 0.407 0.016 0.408 18522 3 1 1 "Average Difference" C 99 1.172 -0.224 1.156 18522 4 1 1 "Average Difference" CA 107 1.360 -0.087 1.364 18522 5 1 1 "Average Difference" CB 91 1.508 -0.260 1.494 18522 6 1 1 "Average Difference" HN 97 0.610 -0.224 0.571 18522 7 1 2 "Average Difference" N 97 3.653 -0.637 3.615 18522 8 1 2 "Average Difference" HA 109 0.378 -0.002 0.379 18522 9 1 2 "Average Difference" C 99 1.241 -0.212 1.229 18522 10 1 2 "Average Difference" CA 107 1.319 -0.123 1.319 18522 11 1 2 "Average Difference" CB 91 1.413 -0.320 1.384 18522 12 1 2 "Average Difference" HN 97 0.710 -0.304 0.645 18522 13 1 3 "Average Difference" N 97 3.717 -0.897 3.626 18522 14 1 3 "Average Difference" HA 109 0.463 -0.035 0.464 18522 15 1 3 "Average Difference" C 99 1.309 -0.169 1.304 18522 16 1 3 "Average Difference" CA 107 1.337 -0.103 1.340 18522 17 1 3 "Average Difference" CB 91 1.459 -0.295 1.437 18522 18 1 3 "Average Difference" HN 97 0.660 -0.253 0.613 18522 19 1 4 "Average Difference" N 97 3.720 -0.878 3.634 18522 20 1 4 "Average Difference" HA 109 0.414 -0.014 0.416 18522 21 1 4 "Average Difference" C 99 1.258 -0.218 1.245 18522 22 1 4 "Average Difference" CA 107 1.342 -0.091 1.345 18522 23 1 4 "Average Difference" CB 91 1.532 -0.259 1.518 18522 24 1 4 "Average Difference" HN 97 0.667 -0.253 0.621 18522 25 1 5 "Average Difference" N 97 3.737 -0.670 3.695 18522 26 1 5 "Average Difference" HA 109 0.423 0.025 0.424 18522 27 1 5 "Average Difference" C 99 1.187 -0.210 1.174 18522 28 1 5 "Average Difference" CA 107 1.359 -0.077 1.363 18522 29 1 5 "Average Difference" CB 91 1.387 -0.179 1.383 18522 30 1 5 "Average Difference" HN 97 0.695 -0.253 0.651 18522 31 1 6 "Average Difference" N 97 3.871 -0.643 3.837 18522 32 1 6 "Average Difference" HA 109 0.383 0.039 0.383 18522 33 1 6 "Average Difference" C 99 1.198 -0.271 1.173 18522 34 1 6 "Average Difference" CA 107 1.132 -0.182 1.123 18522 35 1 6 "Average Difference" CB 91 1.194 -0.132 1.193 18522 36 1 6 "Average Difference" HN 97 0.655 -0.256 0.606 18522 37 1 7 "Average Difference" N 97 3.601 -0.774 3.535 18522 38 1 7 "Average Difference" HA 109 0.386 0.006 0.388 18522 39 1 7 "Average Difference" C 99 1.157 -0.222 1.141 18522 40 1 7 "Average Difference" CA 107 1.306 -0.189 1.298 18522 41 1 7 "Average Difference" CB 91 1.531 -0.217 1.524 18522 42 1 7 "Average Difference" HN 97 0.668 -0.297 0.602 18522 43 1 8 "Average Difference" N 97 3.969 -0.693 3.928 18522 44 1 8 "Average Difference" HA 109 0.342 0.063 0.337 18522 45 1 8 "Average Difference" C 99 1.195 -0.211 1.183 18522 46 1 8 "Average Difference" CA 107 1.150 -0.132 1.148 18522 47 1 8 "Average Difference" CB 91 1.201 -0.167 1.196 18522 48 1 8 "Average Difference" HN 97 0.686 -0.251 0.642 18522 49 1 9 "Average Difference" N 97 4.062 -0.776 4.008 18522 50 1 9 "Average Difference" HA 109 0.411 -0.032 0.411 18522 51 1 9 "Average Difference" C 99 1.153 -0.187 1.143 18522 52 1 9 "Average Difference" CA 107 1.398 0.023 1.404 18522 53 1 9 "Average Difference" CB 91 1.445 -0.344 1.411 18522 54 1 9 "Average Difference" HN 97 0.707 -0.278 0.654 18522 55 1 10 "Average Difference" N 97 4.021 -0.873 3.946 18522 56 1 10 "Average Difference" HA 109 0.424 0.005 0.426 18522 57 1 10 "Average Difference" C 99 1.186 -0.194 1.176 18522 58 1 10 "Average Difference" CA 107 1.314 0.003 1.320 18522 59 1 10 "Average Difference" CB 91 1.523 -0.319 1.497 18522 60 1 10 "Average Difference" HN 97 0.741 -0.250 0.701 18522 61 1 11 "Average Difference" N 97 3.866 -0.621 3.835 18522 62 1 11 "Average Difference" HA 109 0.390 0.012 0.391 18522 63 1 11 "Average Difference" C 99 1.106 -0.054 1.110 18522 64 1 11 "Average Difference" CA 107 1.265 -0.054 1.270 18522 65 1 11 "Average Difference" CB 91 1.428 -0.271 1.410 18522 66 1 11 "Average Difference" HN 97 0.685 -0.256 0.638 18522 67 1 12 "Average Difference" N 97 4.099 -0.929 4.014 18522 68 1 12 "Average Difference" HA 109 0.410 -0.028 0.411 18522 69 1 12 "Average Difference" C 99 1.252 -0.107 1.254 18522 70 1 12 "Average Difference" CA 107 1.402 -0.005 1.409 18522 71 1 12 "Average Difference" CB 91 1.444 -0.237 1.432 18522 72 1 12 "Average Difference" HN 97 0.706 -0.312 0.636 18522 73 1 13 "Average Difference" N 97 3.570 -0.896 3.473 18522 74 1 13 "Average Difference" HA 109 0.373 0.041 0.372 18522 75 1 13 "Average Difference" C 99 1.077 -0.244 1.055 18522 76 1 13 "Average Difference" CA 107 1.114 -0.158 1.108 18522 77 1 13 "Average Difference" CB 91 1.421 -0.329 1.390 18522 78 1 13 "Average Difference" HN 97 0.702 -0.307 0.634 18522 79 1 14 "Average Difference" N 97 3.681 -0.661 3.640 18522 80 1 14 "Average Difference" HA 109 0.382 0.013 0.384 18522 81 1 14 "Average Difference" C 99 1.235 -0.259 1.213 18522 82 1 14 "Average Difference" CA 107 1.285 -0.089 1.288 18522 83 1 14 "Average Difference" CB 91 1.406 -0.226 1.395 18522 84 1 14 "Average Difference" HN 97 0.650 -0.220 0.615 18522 85 1 15 "Average Difference" N 97 4.058 -1.021 3.948 18522 86 1 15 "Average Difference" HA 109 0.452 0.038 0.453 18522 87 1 15 "Average Difference" C 99 1.283 -0.200 1.274 18522 88 1 15 "Average Difference" CA 107 1.428 -0.100 1.431 18522 89 1 15 "Average Difference" CB 91 1.403 -0.295 1.379 18522 90 1 15 "Average Difference" HN 97 0.728 -0.246 0.688 18522 91 1 16 "Average Difference" N 97 3.479 -0.752 3.415 18522 92 1 16 "Average Difference" HA 109 0.432 0.060 0.429 18522 93 1 16 "Average Difference" C 99 1.195 -0.243 1.176 18522 94 1 16 "Average Difference" CA 107 1.246 -0.078 1.249 18522 95 1 16 "Average Difference" CB 91 1.363 -0.236 1.350 18522 96 1 16 "Average Difference" HN 97 0.625 -0.216 0.589 18522 97 1 17 "Average Difference" N 97 4.040 -1.023 3.929 18522 98 1 17 "Average Difference" HA 109 0.376 0.029 0.377 18522 99 1 17 "Average Difference" C 99 1.040 -0.158 1.034 18522 100 1 17 "Average Difference" CA 107 1.287 -0.125 1.287 18522 101 1 17 "Average Difference" CB 91 1.367 -0.233 1.355 18522 102 1 17 "Average Difference" HN 97 0.728 -0.275 0.678 18522 103 1 18 "Average Difference" N 97 3.707 -0.313 3.713 18522 104 1 18 "Average Difference" HA 109 0.403 -0.046 0.402 18522 105 1 18 "Average Difference" C 99 1.218 -0.183 1.210 18522 106 1 18 "Average Difference" CA 107 1.324 -0.028 1.330 18522 107 1 18 "Average Difference" CB 91 1.528 -0.377 1.489 18522 108 1 18 "Average Difference" HN 97 0.669 -0.261 0.619 18522 109 1 19 "Average Difference" N 97 3.789 -0.750 3.734 18522 110 1 19 "Average Difference" HA 109 0.405 0.037 0.406 18522 111 1 19 "Average Difference" C 99 1.089 -0.259 1.063 18522 112 1 19 "Average Difference" CA 107 1.120 -0.161 1.113 18522 113 1 19 "Average Difference" CB 91 1.081 -0.120 1.080 18522 114 1 19 "Average Difference" HN 97 0.700 -0.293 0.639 18522 115 1 20 "Average Difference" N 97 3.630 -0.946 3.522 18522 116 1 20 "Average Difference" HA 109 0.365 0.036 0.365 18522 117 1 20 "Average Difference" C 99 1.240 -0.253 1.220 18522 118 1 20 "Average Difference" CA 107 1.154 -0.162 1.148 18522 119 1 20 "Average Difference" CB 91 1.283 -0.107 1.286 18522 120 1 20 "Average Difference" HN 97 0.727 -0.275 0.676 18522 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 18522 _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 3 3 PRO C C 15 177.225 177.225 177.037 0.188 18522 2 1 . 1 1 3 3 PRO CA C 15 63.508 63.508 62.893 0.615 18522 3 1 . 1 1 3 3 PRO CB C 15 32.090 32.090 31.534 0.556 18522 4 1 . 1 1 4 4 GLY N N 16 108.829 108.829 109.757 -0.928 18522 5 1 . 1 1 4 4 GLY C C 16 173.398 173.398 174.218 -0.820 18522 6 1 . 1 1 4 4 GLY CA C 16 45.128 45.128 44.955 0.173 18522 7 1 . 1 1 4 4 GLY H H 16 8.489 8.489 8.171 0.318 18522 8 1 . 1 1 5 5 ILE N N 17 121.763 121.763 119.583 2.180 18522 9 1 . 1 1 5 5 ILE HA H 17 4.554 4.554 4.628 -0.074 18522 10 1 . 1 1 5 5 ILE C C 17 174.332 174.332 174.778 -0.446 18522 11 1 . 1 1 5 5 ILE CA C 17 58.245 58.245 58.300 -0.055 18522 12 1 . 1 1 5 5 ILE CB C 17 38.762 38.762 38.273 0.489 18522 13 1 . 1 1 5 5 ILE H H 17 8.014 8.014 7.801 0.213 18522 14 1 . 1 1 6 6 PRO C C 18 176.437 176.437 176.334 0.103 18522 15 1 . 1 1 6 6 PRO CA C 18 62.667 62.667 63.996 -1.329 18522 16 1 . 1 1 6 6 PRO CB C 18 32.469 32.469 32.025 0.444 18522 17 1 . 1 1 7 7 VAL N N 19 123.849 123.849 117.525 6.324 18522 18 1 . 1 1 7 7 VAL HA H 19 4.550 4.550 4.391 0.159 18522 19 1 . 1 1 7 7 VAL C C 19 174.453 174.453 173.832 0.621 18522 20 1 . 1 1 7 7 VAL CA C 19 59.846 59.846 59.392 0.454 18522 21 1 . 1 1 7 7 VAL CB C 19 33.510 33.510 32.095 1.415 18522 22 1 . 1 1 7 7 VAL H H 19 8.754 8.754 7.909 0.845 18522 23 1 . 1 1 8 8 PRO HA H 20 5.338 5.338 4.818 0.520 18522 24 1 . 1 1 8 8 PRO C C 20 177.585 177.585 176.601 0.984 18522 25 1 . 1 1 8 8 PRO CA C 20 62.406 62.406 62.190 0.216 18522 26 1 . 1 1 8 8 PRO CB C 20 32.891 32.891 32.134 0.757 18522 27 1 . 1 1 9 9 GLY N N 21 108.426 108.426 111.104 -2.678 18522 28 1 . 1 1 9 9 GLY C C 21 171.443 171.443 171.894 -0.451 18522 29 1 . 1 1 9 9 GLY CA C 21 44.581 44.581 44.482 0.099 18522 30 1 . 1 1 9 9 GLY H H 21 8.258 8.258 8.315 -0.057 18522 31 1 . 1 1 10 10 LYS N N 22 117.372 117.372 120.924 -3.552 18522 32 1 . 1 1 10 10 LYS HA H 22 4.039 4.039 4.972 -0.933 18522 33 1 . 1 1 10 10 LYS C C 22 174.463 174.463 174.720 -0.257 18522 34 1 . 1 1 10 10 LYS CA C 22 55.263 55.263 55.237 0.026 18522 35 1 . 1 1 10 10 LYS CB C 22 35.227 35.227 34.748 0.479 18522 36 1 . 1 1 10 10 LYS H H 22 8.175 8.175 8.019 0.156 18522 37 1 . 1 1 11 11 VAL N N 23 120.387 120.387 118.495 1.892 18522 38 1 . 1 1 11 11 VAL HA H 23 4.708 4.708 4.557 0.151 18522 39 1 . 1 1 11 11 VAL C C 23 171.873 171.873 174.078 -2.205 18522 40 1 . 1 1 11 11 VAL CA C 23 59.866 59.866 60.083 -0.217 18522 41 1 . 1 1 11 11 VAL CB C 23 35.269 35.269 35.436 -0.167 18522 42 1 . 1 1 11 11 VAL H H 23 8.862 8.862 8.262 0.600 18522 43 1 . 1 1 12 12 THR N N 24 125.797 125.797 119.799 5.998 18522 44 1 . 1 1 12 12 THR HA H 24 5.121 5.121 4.888 0.233 18522 45 1 . 1 1 12 12 THR C C 24 173.407 173.407 173.527 -0.120 18522 46 1 . 1 1 12 12 THR CA C 24 62.115 62.115 60.482 1.633 18522 47 1 . 1 1 12 12 THR CB C 24 69.606 69.606 69.299 0.307 18522 48 1 . 1 1 12 12 THR H H 24 8.859 8.859 8.314 0.545 18522 49 1 . 1 1 13 13 LEU N N 25 127.960 127.960 127.121 0.839 18522 50 1 . 1 1 13 13 LEU HA H 25 4.809 4.809 4.854 -0.045 18522 51 1 . 1 1 13 13 LEU C C 25 175.029 175.029 175.244 -0.215 18522 52 1 . 1 1 13 13 LEU CA C 25 52.623 52.623 52.633 -0.010 18522 53 1 . 1 1 13 13 LEU CB C 25 46.242 46.242 45.134 1.108 18522 54 1 . 1 1 13 13 LEU H H 25 9.258 9.258 8.236 1.022 18522 55 1 . 1 1 14 14 GLN N N 26 120.858 120.858 117.272 3.586 18522 56 1 . 1 1 14 14 GLN HA H 26 4.482 4.482 4.568 -0.086 18522 57 1 . 1 1 14 14 GLN C C 26 174.515 174.515 175.147 -0.632 18522 58 1 . 1 1 14 14 GLN CA C 26 54.576 54.576 54.215 0.361 18522 59 1 . 1 1 14 14 GLN CB C 26 29.516 29.516 31.860 -2.344 18522 60 1 . 1 1 14 14 GLN H H 26 8.530 8.530 8.299 0.231 18522 61 1 . 1 1 15 15 LYS N N 27 119.583 119.583 122.306 -2.723 18522 62 1 . 1 1 15 15 LYS HA H 27 4.180 4.180 4.262 -0.082 18522 63 1 . 1 1 15 15 LYS C C 27 177.468 177.468 176.952 0.516 18522 64 1 . 1 1 15 15 LYS CA C 27 55.956 55.956 56.883 -0.928 18522 65 1 . 1 1 15 15 LYS CB C 27 34.099 34.099 32.454 1.645 18522 66 1 . 1 1 15 15 LYS H H 27 8.099 8.099 8.201 -0.102 18522 67 1 . 1 1 16 16 ASP N N 28 121.439 121.439 122.134 -0.695 18522 68 1 . 1 1 16 16 ASP HA H 28 4.590 4.590 4.637 -0.047 18522 69 1 . 1 1 16 16 ASP C C 28 178.392 178.392 177.863 0.529 18522 70 1 . 1 1 16 16 ASP CA C 28 52.426 52.426 53.648 -1.222 18522 71 1 . 1 1 16 16 ASP CB C 28 41.377 41.377 42.461 -1.084 18522 72 1 . 1 1 16 16 ASP H H 28 8.888 8.888 8.603 0.285 18522 73 1 . 1 1 17 17 ALA N N 29 119.578 119.578 123.169 -3.591 18522 74 1 . 1 1 17 17 ALA HA H 29 4.188 4.188 4.105 0.083 18522 75 1 . 1 1 17 17 ALA C C 29 178.763 178.763 178.323 0.440 18522 76 1 . 1 1 17 17 ALA CA C 29 54.434 54.434 54.516 -0.082 18522 77 1 . 1 1 17 17 ALA CB C 29 18.293 18.293 18.686 -0.393 18522 78 1 . 1 1 17 17 ALA H H 29 8.392 8.392 8.639 -0.246 18522 79 1 . 1 1 18 18 GLN N N 30 117.564 117.564 117.238 0.326 18522 80 1 . 1 1 18 18 GLN HA H 30 4.399 4.399 4.333 0.066 18522 81 1 . 1 1 18 18 GLN C C 30 175.168 175.168 175.491 -0.323 18522 82 1 . 1 1 18 18 GLN CA C 30 55.339 55.339 55.083 0.256 18522 83 1 . 1 1 18 18 GLN CB C 30 28.589 28.589 29.166 -0.577 18522 84 1 . 1 1 18 18 GLN H H 30 8.353 8.353 7.975 0.378 18522 85 1 . 1 1 19 19 ASN N N 31 115.365 115.365 115.823 -0.458 18522 86 1 . 1 1 19 19 ASN HA H 31 4.315 4.315 4.392 -0.077 18522 87 1 . 1 1 19 19 ASN C C 31 174.043 174.043 173.082 0.961 18522 88 1 . 1 1 19 19 ASN CA C 31 54.303 54.303 54.489 -0.186 18522 89 1 . 1 1 19 19 ASN CB C 31 37.610 37.610 37.631 -0.021 18522 90 1 . 1 1 19 19 ASN H H 31 8.521 8.521 8.209 0.312 18522 91 1 . 1 1 20 20 LEU N N 32 118.660 118.660 111.861 6.799 18522 92 1 . 1 1 20 20 LEU HA H 32 4.900 4.900 4.891 0.009 18522 93 1 . 1 1 20 20 LEU C C 32 178.117 178.117 176.610 1.507 18522 94 1 . 1 1 20 20 LEU CA C 32 53.957 53.957 53.353 0.604 18522 95 1 . 1 1 20 20 LEU CB C 32 44.774 44.774 43.669 1.105 18522 96 1 . 1 1 20 20 LEU H H 32 8.155 8.155 7.508 0.647 18522 97 1 . 1 1 21 21 ILE N N 33 116.785 116.785 115.950 0.835 18522 98 1 . 1 1 21 21 ILE HA H 33 4.674 4.674 4.470 0.204 18522 99 1 . 1 1 21 21 ILE C C 33 176.185 176.185 176.580 -0.395 18522 100 1 . 1 1 21 21 ILE CA C 33 62.602 62.602 61.404 1.198 18522 101 1 . 1 1 21 21 ILE CB C 33 39.016 39.016 39.201 -0.185 18522 102 1 . 1 1 21 21 ILE H H 33 11.488 11.488 8.309 3.179 18522 103 1 . 1 1 22 22 GLY N N 34 111.234 111.234 108.343 2.891 18522 104 1 . 1 1 22 22 GLY C C 34 173.993 173.993 173.654 0.339 18522 105 1 . 1 1 22 22 GLY CA C 34 45.980 45.980 45.156 0.824 18522 106 1 . 1 1 22 22 GLY H H 34 9.854 9.854 8.460 1.394 18522 107 1 . 1 1 23 23 ILE N N 35 111.117 111.117 113.866 -2.749 18522 108 1 . 1 1 23 23 ILE HA H 35 5.535 5.535 5.326 0.209 18522 109 1 . 1 1 23 23 ILE C C 35 175.033 175.033 174.124 0.909 18522 110 1 . 1 1 23 23 ILE CA C 35 58.415 58.415 57.909 0.506 18522 111 1 . 1 1 23 23 ILE CB C 35 41.577 41.577 41.728 -0.151 18522 112 1 . 1 1 23 23 ILE H H 35 7.835 7.835 7.479 0.356 18522 113 1 . 1 1 24 24 SER N N 36 114.908 114.908 115.745 -0.837 18522 114 1 . 1 1 24 24 SER HA H 36 4.232 4.232 5.077 -0.845 18522 115 1 . 1 1 24 24 SER C C 36 174.735 174.735 172.904 1.831 18522 116 1 . 1 1 24 24 SER CA C 36 56.121 56.121 57.326 -1.205 18522 117 1 . 1 1 24 24 SER CB C 36 66.097 66.097 65.621 0.476 18522 118 1 . 1 1 24 24 SER H H 36 8.623 8.623 8.385 0.238 18522 119 1 . 1 1 25 25 ILE N N 37 117.739 117.739 124.818 -7.079 18522 120 1 . 1 1 25 25 ILE C C 37 174.340 174.340 175.280 -0.940 18522 121 1 . 1 1 25 25 ILE CA C 37 59.123 59.123 59.317 -0.194 18522 122 1 . 1 1 25 25 ILE CB C 37 41.637 41.637 40.579 1.058 18522 123 1 . 1 1 25 25 ILE H H 37 9.130 9.130 8.627 0.503 18522 124 1 . 1 1 26 26 GLY N N 38 108.069 108.069 112.836 -4.767 18522 125 1 . 1 1 26 26 GLY CA C 38 44.112 44.112 44.562 -0.450 18522 126 1 . 1 1 26 26 GLY H H 38 8.841 8.841 8.593 0.248 18522 127 1 . 1 1 27 27 GLY N N 39 109.016 109.016 108.254 0.762 18522 128 1 . 1 1 27 27 GLY C C 39 173.956 173.956 174.504 -0.548 18522 129 1 . 1 1 27 27 GLY H H 39 8.187 8.187 8.358 -0.171 18522 130 1 . 1 1 28 28 GLY N N 40 111.783 111.783 109.837 1.946 18522 131 1 . 1 1 28 28 GLY C C 40 174.255 174.255 173.637 0.618 18522 132 1 . 1 1 28 28 GLY CA C 40 47.098 47.098 45.233 1.865 18522 133 1 . 1 1 28 28 GLY H H 40 8.275 8.275 7.982 0.293 18522 134 1 . 1 1 29 29 ALA N N 41 123.128 123.128 122.402 0.726 18522 135 1 . 1 1 29 29 ALA HA H 41 4.559 4.559 4.330 0.229 18522 136 1 . 1 1 29 29 ALA CA C 41 51.073 51.073 52.743 -1.670 18522 137 1 . 1 1 29 29 ALA CB C 41 21.926 21.926 19.291 2.635 18522 138 1 . 1 1 29 29 ALA H H 41 8.012 8.012 8.004 0.008 18522 139 1 . 1 1 31 31 TYR HA H 43 4.549 4.549 4.429 0.120 18522 140 1 . 1 1 31 31 TYR CA C 43 57.147 57.147 59.247 -2.100 18522 141 1 . 1 1 31 31 TYR CB C 43 37.495 37.495 38.411 -0.916 18522 142 1 . 1 1 32 32 CYS N N 44 119.332 119.332 116.221 3.111 18522 143 1 . 1 1 32 32 CYS HA H 44 4.859 4.859 4.575 0.284 18522 144 1 . 1 1 32 32 CYS CA C 44 57.406 57.406 57.585 -0.179 18522 145 1 . 1 1 32 32 CYS CB C 44 27.673 27.673 27.561 0.112 18522 146 1 . 1 1 32 32 CYS H H 44 7.504 7.504 7.982 -0.478 18522 147 1 . 1 1 33 33 PRO HA H 45 4.413 4.413 4.528 -0.115 18522 148 1 . 1 1 33 33 PRO CA C 45 64.885 64.885 63.259 1.626 18522 149 1 . 1 1 33 33 PRO CB C 45 32.318 32.318 32.030 0.288 18522 150 1 . 1 1 34 34 CYS N N 46 117.327 117.327 116.036 1.291 18522 151 1 . 1 1 34 34 CYS C C 46 172.064 172.064 174.747 -2.683 18522 152 1 . 1 1 34 34 CYS CA C 46 60.066 60.066 59.416 0.650 18522 153 1 . 1 1 34 34 CYS CB C 46 28.715 28.715 29.079 -0.364 18522 154 1 . 1 1 34 34 CYS H H 46 7.973 7.973 8.154 -0.181 18522 155 1 . 1 1 35 35 LEU N N 47 124.270 124.270 118.081 6.189 18522 156 1 . 1 1 35 35 LEU HA H 47 4.928 4.928 4.306 0.622 18522 157 1 . 1 1 35 35 LEU C C 47 175.076 175.076 176.417 -1.341 18522 158 1 . 1 1 35 35 LEU CA C 47 53.278 53.278 55.987 -2.709 18522 159 1 . 1 1 35 35 LEU CB C 47 44.321 44.321 41.747 2.574 18522 160 1 . 1 1 35 35 LEU H H 47 8.629 8.629 8.481 0.148 18522 161 1 . 1 1 36 36 TYR N N 48 119.326 119.326 114.539 4.787 18522 162 1 . 1 1 36 36 TYR HA H 48 5.255 5.255 4.512 0.743 18522 163 1 . 1 1 36 36 TYR C C 48 175.766 175.766 175.525 0.241 18522 164 1 . 1 1 36 36 TYR CA C 48 56.696 56.696 59.438 -2.742 18522 165 1 . 1 1 36 36 TYR CB C 48 42.590 42.590 38.138 4.452 18522 166 1 . 1 1 36 36 TYR H H 48 8.761 8.761 7.905 0.856 18522 167 1 . 1 1 37 37 ILE N N 49 120.259 120.259 122.058 -1.799 18522 168 1 . 1 1 37 37 ILE HA H 49 4.215 4.215 4.512 -0.297 18522 169 1 . 1 1 37 37 ILE C C 49 177.429 177.429 176.156 1.273 18522 170 1 . 1 1 37 37 ILE CA C 49 62.456 62.456 60.431 2.025 18522 171 1 . 1 1 37 37 ILE CB C 49 37.352 37.352 38.196 -0.844 18522 172 1 . 1 1 37 37 ILE H H 49 8.959 8.959 8.218 0.741 18522 173 1 . 1 1 38 38 VAL HA H 50 3.937 3.937 4.095 -0.158 18522 174 1 . 1 1 38 38 VAL C C 50 174.408 174.408 175.327 -0.919 18522 175 1 . 1 1 38 38 VAL CA C 50 62.259 62.259 63.146 -0.887 18522 176 1 . 1 1 38 38 VAL CB C 50 31.584 31.584 32.364 -0.780 18522 177 1 . 1 1 39 39 GLN N N 51 116.821 116.821 117.271 -0.450 18522 178 1 . 1 1 39 39 GLN HA H 51 4.103 4.103 4.447 -0.344 18522 179 1 . 1 1 39 39 GLN C C 51 172.856 172.856 172.973 -0.117 18522 180 1 . 1 1 39 39 GLN CA C 51 55.127 55.127 55.161 -0.034 18522 181 1 . 1 1 39 39 GLN CB C 51 32.376 32.376 32.422 -0.046 18522 182 1 . 1 1 39 39 GLN H H 51 6.967 6.967 7.499 -0.532 18522 183 1 . 1 1 40 40 VAL N N 52 123.482 123.482 120.848 2.634 18522 184 1 . 1 1 40 40 VAL HA H 52 4.277 4.277 4.754 -0.477 18522 185 1 . 1 1 40 40 VAL C C 52 176.198 176.198 174.191 2.007 18522 186 1 . 1 1 40 40 VAL CA C 52 61.574 61.574 59.667 1.908 18522 187 1 . 1 1 40 40 VAL CB C 52 32.875 32.875 35.056 -2.181 18522 188 1 . 1 1 40 40 VAL H H 52 8.447 8.447 8.145 0.302 18522 189 1 . 1 1 41 41 PHE N N 53 128.296 128.296 123.527 4.769 18522 190 1 . 1 1 41 41 PHE HA H 53 4.400 4.400 4.754 -0.354 18522 191 1 . 1 1 41 41 PHE C C 53 175.299 175.299 175.503 -0.204 18522 192 1 . 1 1 41 41 PHE CA C 53 58.494 58.494 57.648 0.846 18522 193 1 . 1 1 41 41 PHE CB C 53 39.561 39.561 40.076 -0.515 18522 194 1 . 1 1 41 41 PHE H H 53 8.707 8.707 8.329 0.378 18522 195 1 . 1 1 42 42 ASP N N 54 122.696 122.696 119.087 3.609 18522 196 1 . 1 1 42 42 ASP HA H 54 4.272 4.272 4.529 -0.257 18522 197 1 . 1 1 42 42 ASP C C 54 176.837 176.837 176.158 0.679 18522 198 1 . 1 1 42 42 ASP CA C 54 55.291 55.291 55.801 -0.510 18522 199 1 . 1 1 42 42 ASP CB C 54 41.093 41.093 41.933 -0.840 18522 200 1 . 1 1 42 42 ASP H H 54 8.901 8.901 8.680 0.221 18522 201 1 . 1 1 43 43 ASN N N 55 113.923 113.923 115.422 -1.499 18522 202 1 . 1 1 43 43 ASN HA H 55 4.258 4.258 4.810 -0.552 18522 203 1 . 1 1 43 43 ASN C C 55 173.714 173.714 174.867 -1.153 18522 204 1 . 1 1 43 43 ASN CA C 55 54.958 54.958 53.305 1.653 18522 205 1 . 1 1 43 43 ASN CB C 55 37.150 37.150 39.428 -2.279 18522 206 1 . 1 1 43 43 ASN H H 55 9.319 9.319 8.196 1.123 18522 207 1 . 1 1 44 44 THR N N 56 108.020 108.020 111.970 -3.950 18522 208 1 . 1 1 44 44 THR HA H 56 5.377 5.377 4.865 0.512 18522 209 1 . 1 1 44 44 THR CA C 56 59.712 59.712 59.310 0.402 18522 210 1 . 1 1 44 44 THR CB C 56 69.529 69.529 70.145 -0.616 18522 211 1 . 1 1 44 44 THR H H 56 7.149 7.149 7.661 -0.512 18522 212 1 . 1 1 45 45 PRO HA H 57 4.304 4.304 4.086 0.218 18522 213 1 . 1 1 45 45 PRO C C 57 180.141 180.141 178.014 2.127 18522 214 1 . 1 1 45 45 PRO CA C 57 66.090 66.090 65.658 0.432 18522 215 1 . 1 1 45 45 PRO CB C 57 33.194 33.194 31.466 1.728 18522 216 1 . 1 1 46 46 ALA N N 58 116.854 116.854 119.766 -2.912 18522 217 1 . 1 1 46 46 ALA HA H 58 4.035 4.035 4.014 0.021 18522 218 1 . 1 1 46 46 ALA C C 58 180.647 180.647 179.472 1.175 18522 219 1 . 1 1 46 46 ALA CA C 58 55.195 55.195 55.213 -0.018 18522 220 1 . 1 1 46 46 ALA CB C 58 18.880 18.880 18.122 0.758 18522 221 1 . 1 1 46 46 ALA H H 58 8.938 8.938 7.841 1.097 18522 222 1 . 1 1 47 47 ALA N N 59 123.250 123.250 120.939 2.311 18522 223 1 . 1 1 47 47 ALA HA H 59 4.030 4.030 4.093 -0.063 18522 224 1 . 1 1 47 47 ALA C C 59 179.852 179.852 179.711 0.141 18522 225 1 . 1 1 47 47 ALA CA C 59 54.939 54.939 54.568 0.371 18522 226 1 . 1 1 47 47 ALA CB C 59 19.688 19.688 18.665 1.023 18522 227 1 . 1 1 47 47 ALA H H 59 7.658 7.658 7.424 0.234 18522 228 1 . 1 1 48 48 LEU N N 60 118.654 118.654 119.229 -0.575 18522 229 1 . 1 1 48 48 LEU HA H 60 4.026 4.026 4.146 -0.120 18522 230 1 . 1 1 48 48 LEU C C 60 179.238 179.238 178.359 0.879 18522 231 1 . 1 1 48 48 LEU CA C 60 57.261 57.261 58.019 -0.758 18522 232 1 . 1 1 48 48 LEU CB C 60 41.445 41.445 41.140 0.305 18522 233 1 . 1 1 48 48 LEU H H 60 8.636 8.636 8.480 0.156 18522 234 1 . 1 1 49 49 ASP N N 61 117.382 117.382 117.943 -0.561 18522 235 1 . 1 1 49 49 ASP HA H 61 4.421 4.421 4.629 -0.208 18522 236 1 . 1 1 49 49 ASP C C 61 177.668 177.668 177.887 -0.219 18522 237 1 . 1 1 49 49 ASP CA C 61 57.087 57.087 54.810 2.277 18522 238 1 . 1 1 49 49 ASP CB C 61 44.478 44.478 41.788 2.690 18522 239 1 . 1 1 49 49 ASP H H 61 7.665 7.665 7.847 -0.182 18522 240 1 . 1 1 50 50 GLY N N 62 103.228 103.228 107.960 -4.732 18522 241 1 . 1 1 50 50 GLY C C 62 174.776 174.776 174.966 -0.190 18522 242 1 . 1 1 50 50 GLY CA C 62 46.533 46.533 45.971 0.562 18522 243 1 . 1 1 50 50 GLY H H 62 7.216 7.216 8.153 -0.937 18522 244 1 . 1 1 51 51 THR N N 63 117.230 117.230 111.788 5.442 18522 245 1 . 1 1 51 51 THR HA H 63 3.907 3.907 3.866 0.041 18522 246 1 . 1 1 51 51 THR C C 63 175.961 175.961 174.420 1.541 18522 247 1 . 1 1 51 51 THR CA C 63 66.478 66.478 62.961 3.517 18522 248 1 . 1 1 51 51 THR CB C 63 68.268 68.268 67.246 1.022 18522 249 1 . 1 1 51 51 THR H H 63 8.319 8.319 7.775 0.544 18522 250 1 . 1 1 52 52 VAL N N 64 113.826 113.826 115.814 -1.988 18522 251 1 . 1 1 52 52 VAL HA H 64 3.950 3.950 4.241 -0.291 18522 252 1 . 1 1 52 52 VAL C C 64 173.883 173.883 174.731 -0.848 18522 253 1 . 1 1 52 52 VAL CA C 64 60.708 60.708 60.233 0.475 18522 254 1 . 1 1 52 52 VAL CB C 64 33.079 33.079 30.421 2.658 18522 255 1 . 1 1 52 52 VAL H H 64 8.147 8.147 7.412 0.735 18522 256 1 . 1 1 53 53 ALA N N 65 123.521 123.521 124.133 -0.612 18522 257 1 . 1 1 53 53 ALA HA H 65 4.414 4.414 4.405 0.009 18522 258 1 . 1 1 53 53 ALA C C 65 175.247 175.247 176.719 -1.472 18522 259 1 . 1 1 53 53 ALA CA C 65 50.440 50.440 50.746 -0.307 18522 260 1 . 1 1 53 53 ALA CB C 65 23.266 23.266 20.392 2.874 18522 261 1 . 1 1 53 53 ALA H H 65 8.633 8.633 7.425 1.208 18522 262 1 . 1 1 54 54 ALA N N 66 120.818 120.818 122.335 -1.517 18522 263 1 . 1 1 54 54 ALA HA H 66 3.720 3.720 3.967 -0.247 18522 264 1 . 1 1 54 54 ALA C C 66 178.411 178.411 178.261 0.150 18522 265 1 . 1 1 54 54 ALA CA C 66 53.016 53.016 53.332 -0.316 18522 266 1 . 1 1 54 54 ALA CB C 66 17.840 17.840 17.885 -0.045 18522 267 1 . 1 1 54 54 ALA H H 66 8.451 8.451 8.321 0.130 18522 268 1 . 1 1 55 55 GLY N N 67 112.260 112.260 113.082 -0.822 18522 269 1 . 1 1 55 55 GLY C C 67 173.296 173.296 173.894 -0.598 18522 270 1 . 1 1 55 55 GLY CA C 67 45.025 45.025 44.706 0.319 18522 271 1 . 1 1 55 55 GLY H H 67 9.600 9.600 8.583 1.017 18522 272 1 . 1 1 56 56 ASP N N 68 121.293 121.293 121.796 -0.503 18522 273 1 . 1 1 56 56 ASP HA H 68 4.861 4.861 4.823 0.038 18522 274 1 . 1 1 56 56 ASP C C 68 174.937 174.937 174.613 0.324 18522 275 1 . 1 1 56 56 ASP CA C 68 55.641 55.641 54.075 1.567 18522 276 1 . 1 1 56 56 ASP CB C 68 40.696 40.696 42.789 -2.093 18522 277 1 . 1 1 56 56 ASP H H 68 8.043 8.043 7.707 0.336 18522 278 1 . 1 1 57 57 GLU N N 69 122.814 122.814 121.134 1.680 18522 279 1 . 1 1 57 57 GLU C C 69 177.202 177.202 175.858 1.344 18522 280 1 . 1 1 57 57 GLU CA C 69 54.472 54.472 54.904 -0.433 18522 281 1 . 1 1 57 57 GLU CB C 69 32.800 32.800 31.325 1.475 18522 282 1 . 1 1 57 57 GLU H H 69 8.455 8.455 8.279 0.176 18522 283 1 . 1 1 58 58 ILE N N 70 125.862 125.862 126.116 -0.254 18522 284 1 . 1 1 58 58 ILE HA H 70 4.526 4.526 4.445 0.081 18522 285 1 . 1 1 58 58 ILE C C 70 175.035 175.035 175.792 -0.757 18522 286 1 . 1 1 58 58 ILE CA C 70 60.918 60.918 60.546 0.372 18522 287 1 . 1 1 58 58 ILE CB C 70 39.236 39.236 37.464 1.772 18522 288 1 . 1 1 58 58 ILE H H 70 8.619 8.619 8.391 0.228 18522 289 1 . 1 1 59 59 THR N N 71 115.507 115.507 120.823 -5.316 18522 290 1 . 1 1 59 59 THR HA H 71 4.513 4.513 4.351 0.162 18522 291 1 . 1 1 59 59 THR C C 71 176.425 176.425 173.962 2.462 18522 292 1 . 1 1 59 59 THR CA C 71 61.158 61.158 61.882 -0.724 18522 293 1 . 1 1 59 59 THR CB C 71 69.604 69.604 70.098 -0.494 18522 294 1 . 1 1 59 59 THR H H 71 9.242 9.242 8.827 0.415 18522 295 1 . 1 1 60 60 GLY N N 72 111.789 111.789 108.705 3.084 18522 296 1 . 1 1 60 60 GLY C C 72 170.981 170.981 171.467 -0.486 18522 297 1 . 1 1 60 60 GLY CA C 72 46.554 46.554 45.146 1.408 18522 298 1 . 1 1 60 60 GLY H H 72 7.883 7.883 7.714 0.169 18522 299 1 . 1 1 61 61 VAL N N 73 119.277 119.277 120.407 -1.130 18522 300 1 . 1 1 61 61 VAL C C 73 175.951 175.951 175.726 0.225 18522 301 1 . 1 1 61 61 VAL CA C 73 60.982 60.982 59.468 1.514 18522 302 1 . 1 1 61 61 VAL CB C 73 36.197 36.197 34.284 1.913 18522 303 1 . 1 1 61 61 VAL H H 73 8.424 8.424 8.749 -0.325 18522 304 1 . 1 1 62 62 ASN N N 74 127.731 127.731 126.275 1.456 18522 305 1 . 1 1 62 62 ASN HA H 74 4.520 4.520 4.384 0.136 18522 306 1 . 1 1 62 62 ASN C C 74 174.878 174.878 175.099 -0.221 18522 307 1 . 1 1 62 62 ASN CA C 74 54.418 54.418 54.494 -0.076 18522 308 1 . 1 1 62 62 ASN CB C 74 36.655 36.655 37.762 -1.107 18522 309 1 . 1 1 62 62 ASN H H 74 10.384 10.384 9.233 1.151 18522 310 1 . 1 1 63 63 GLY N N 75 104.633 104.633 103.178 1.455 18522 311 1 . 1 1 63 63 GLY C C 75 173.610 173.610 173.422 0.188 18522 312 1 . 1 1 63 63 GLY CA C 75 45.261 45.261 44.907 0.354 18522 313 1 . 1 1 63 63 GLY H H 75 8.926 8.926 8.318 0.608 18522 314 1 . 1 1 64 64 ARG N N 76 120.451 120.451 121.198 -0.747 18522 315 1 . 1 1 64 64 ARG HA H 76 4.501 4.501 4.644 -0.144 18522 316 1 . 1 1 64 64 ARG C C 76 175.085 175.085 175.542 -0.457 18522 317 1 . 1 1 64 64 ARG CA C 76 54.252 54.252 54.150 0.102 18522 318 1 . 1 1 64 64 ARG CB C 76 31.482 31.482 31.692 -0.210 18522 319 1 . 1 1 64 64 ARG H H 76 7.753 7.753 7.979 -0.226 18522 320 1 . 1 1 65 65 SER N N 77 116.586 116.586 118.692 -2.106 18522 321 1 . 1 1 65 65 SER HA H 77 4.483 4.483 4.565 -0.082 18522 322 1 . 1 1 65 65 SER C C 77 176.953 176.953 175.952 1.000 18522 323 1 . 1 1 65 65 SER CA C 77 58.292 58.292 58.875 -0.583 18522 324 1 . 1 1 65 65 SER CB C 77 63.643 63.643 63.661 -0.018 18522 325 1 . 1 1 65 65 SER H H 77 8.555 8.555 8.817 -0.262 18522 326 1 . 1 1 66 66 ILE N N 78 116.618 116.618 120.207 -3.589 18522 327 1 . 1 1 66 66 ILE HA H 78 4.420 4.420 4.216 0.204 18522 328 1 . 1 1 66 66 ILE C C 78 175.072 175.072 176.871 -1.799 18522 329 1 . 1 1 66 66 ILE CA C 78 59.122 59.122 61.415 -2.293 18522 330 1 . 1 1 66 66 ILE CB C 78 36.758 36.758 37.308 -0.550 18522 331 1 . 1 1 66 66 ILE H H 78 7.599 7.599 8.266 -0.667 18522 332 1 . 1 1 67 67 LYS N N 79 123.287 123.287 122.355 0.932 18522 333 1 . 1 1 67 67 LYS HA H 79 4.049 4.049 4.099 -0.050 18522 334 1 . 1 1 67 67 LYS C C 79 178.333 178.333 177.594 0.739 18522 335 1 . 1 1 67 67 LYS CA C 79 58.321 58.321 58.018 0.303 18522 336 1 . 1 1 67 67 LYS CB C 79 31.635 31.635 31.636 -0.001 18522 337 1 . 1 1 67 67 LYS H H 79 7.898 7.898 8.103 -0.205 18522 338 1 . 1 1 68 68 GLY N N 80 114.933 114.933 108.539 6.394 18522 339 1 . 1 1 68 68 GLY C C 80 174.385 174.385 174.544 -0.159 18522 340 1 . 1 1 68 68 GLY CA C 80 45.518 45.518 45.619 -0.101 18522 341 1 . 1 1 68 68 GLY H H 80 8.999 8.999 8.112 0.887 18522 342 1 . 1 1 69 69 LYS N N 81 119.403 119.403 119.671 -0.268 18522 343 1 . 1 1 69 69 LYS HA H 81 4.043 4.043 4.612 -0.569 18522 344 1 . 1 1 69 69 LYS C C 81 177.064 177.064 175.204 1.860 18522 345 1 . 1 1 69 69 LYS CA C 81 54.722 54.722 55.192 -0.470 18522 346 1 . 1 1 69 69 LYS CB C 81 33.560 33.560 33.525 0.035 18522 347 1 . 1 1 69 69 LYS H H 81 7.845 7.845 7.897 -0.052 18522 348 1 . 1 1 70 70 THR N N 82 112.066 112.066 113.070 -1.004 18522 349 1 . 1 1 70 70 THR HA H 82 4.666 4.666 4.636 0.030 18522 350 1 . 1 1 70 70 THR C C 82 175.955 175.955 175.067 0.888 18522 351 1 . 1 1 70 70 THR CA C 82 60.438 60.438 60.571 -0.133 18522 352 1 . 1 1 70 70 THR CB C 82 71.629 71.629 72.162 -0.533 18522 353 1 . 1 1 70 70 THR H H 82 9.153 9.153 7.919 1.234 18522 354 1 . 1 1 71 71 LYS N N 83 118.730 118.730 123.870 -5.140 18522 355 1 . 1 1 71 71 LYS HA H 83 3.870 3.870 3.945 -0.075 18522 356 1 . 1 1 71 71 LYS C C 83 177.464 177.464 178.396 -0.932 18522 357 1 . 1 1 71 71 LYS CA C 83 60.357 60.357 59.906 0.451 18522 358 1 . 1 1 71 71 LYS CB C 83 31.350 31.350 31.707 -0.357 18522 359 1 . 1 1 71 71 LYS H H 83 8.969 8.969 8.790 0.179 18522 360 1 . 1 1 72 72 VAL N N 84 117.444 117.444 118.810 -1.366 18522 361 1 . 1 1 72 72 VAL HA H 84 3.633 3.633 3.701 -0.068 18522 362 1 . 1 1 72 72 VAL C C 84 178.315 178.315 177.478 0.838 18522 363 1 . 1 1 72 72 VAL CA C 84 66.079 66.079 65.727 0.352 18522 364 1 . 1 1 72 72 VAL CB C 84 32.091 32.091 31.491 0.600 18522 365 1 . 1 1 72 72 VAL H H 84 7.631 7.631 8.237 -0.606 18522 366 1 . 1 1 73 73 GLU N N 85 120.890 120.890 119.211 1.679 18522 367 1 . 1 1 73 73 GLU HA H 85 3.964 3.964 4.090 -0.126 18522 368 1 . 1 1 73 73 GLU C C 85 179.971 179.971 178.898 1.073 18522 369 1 . 1 1 73 73 GLU CA C 85 59.316 59.316 59.367 -0.051 18522 370 1 . 1 1 73 73 GLU CB C 85 30.355 30.355 29.648 0.707 18522 371 1 . 1 1 73 73 GLU H H 85 7.617 7.617 7.682 -0.065 18522 372 1 . 1 1 74 74 VAL N N 86 121.246 121.246 118.400 2.846 18522 373 1 . 1 1 74 74 VAL HA H 86 3.630 3.630 3.776 -0.146 18522 374 1 . 1 1 74 74 VAL C C 86 177.217 177.217 177.696 -0.479 18522 375 1 . 1 1 74 74 VAL CA C 86 66.678 66.678 65.926 0.752 18522 376 1 . 1 1 74 74 VAL CB C 86 31.307 31.307 30.968 0.339 18522 377 1 . 1 1 74 74 VAL H H 86 8.368 8.368 8.302 0.066 18522 378 1 . 1 1 75 75 ALA N N 87 122.148 122.148 122.479 -0.331 18522 379 1 . 1 1 75 75 ALA HA H 87 3.947 3.947 3.942 0.005 18522 380 1 . 1 1 75 75 ALA C C 87 179.545 179.545 179.189 0.356 18522 381 1 . 1 1 75 75 ALA CA C 87 55.851 55.851 55.429 0.422 18522 382 1 . 1 1 75 75 ALA CB C 87 18.491 18.491 18.012 0.479 18522 383 1 . 1 1 75 75 ALA H H 87 8.577 8.577 8.210 0.367 18522 384 1 . 1 1 76 76 LYS N N 88 117.733 117.733 119.463 -1.730 18522 385 1 . 1 1 76 76 LYS HA H 88 4.051 4.051 4.035 0.016 18522 386 1 . 1 1 76 76 LYS CA C 88 59.393 59.393 59.313 0.080 18522 387 1 . 1 1 76 76 LYS CB C 88 32.058 32.058 32.344 -0.286 18522 388 1 . 1 1 76 76 LYS H H 88 7.854 7.854 7.440 0.414 18522 389 1 . 1 1 77 77 MET N N 89 117.676 117.676 118.102 -0.426 18522 390 1 . 1 1 77 77 MET HA H 89 4.048 4.048 4.081 -0.033 18522 391 1 . 1 1 77 77 MET C C 89 178.791 178.791 178.859 -0.068 18522 392 1 . 1 1 77 77 MET CA C 89 59.128 59.128 58.854 0.274 18522 393 1 . 1 1 77 77 MET CB C 89 33.801 33.801 32.205 1.596 18522 394 1 . 1 1 77 77 MET H H 89 7.759 7.759 8.265 -0.506 18522 395 1 . 1 1 78 78 ILE N N 90 117.305 117.305 119.104 -1.799 18522 396 1 . 1 1 78 78 ILE HA H 90 3.590 3.590 3.682 -0.092 18522 397 1 . 1 1 78 78 ILE C C 90 178.658 178.658 178.158 0.500 18522 398 1 . 1 1 78 78 ILE CA C 90 65.482 65.482 64.856 0.626 18522 399 1 . 1 1 78 78 ILE CB C 90 38.845 38.845 37.431 1.414 18522 400 1 . 1 1 78 78 ILE H H 90 7.972 7.972 8.107 -0.135 18522 401 1 . 1 1 79 79 GLN N N 91 120.935 120.935 118.665 2.270 18522 402 1 . 1 1 79 79 GLN HA H 91 3.998 3.998 4.179 -0.181 18522 403 1 . 1 1 79 79 GLN C C 91 178.274 178.274 178.419 -0.145 18522 404 1 . 1 1 79 79 GLN CA C 91 59.151 59.151 58.063 1.088 18522 405 1 . 1 1 79 79 GLN CB C 91 28.934 28.934 28.745 0.189 18522 406 1 . 1 1 79 79 GLN H H 91 8.826 8.826 8.166 0.660 18522 407 1 . 1 1 80 80 GLU N N 92 115.213 115.213 120.912 -5.699 18522 408 1 . 1 1 80 80 GLU HA H 92 4.061 4.061 4.109 -0.048 18522 409 1 . 1 1 80 80 GLU C C 92 176.824 176.824 178.355 -1.531 18522 410 1 . 1 1 80 80 GLU CA C 92 58.006 58.006 58.950 -0.944 18522 411 1 . 1 1 80 80 GLU CB C 92 29.890 29.890 29.777 0.113 18522 412 1 . 1 1 80 80 GLU H H 92 8.020 8.020 8.334 -0.314 18522 413 1 . 1 1 81 81 VAL N N 93 119.047 119.047 115.981 3.066 18522 414 1 . 1 1 81 81 VAL HA H 93 3.930 3.930 3.896 0.034 18522 415 1 . 1 1 81 81 VAL C C 93 176.016 176.016 175.701 0.315 18522 416 1 . 1 1 81 81 VAL CA C 93 63.153 63.153 63.232 -0.079 18522 417 1 . 1 1 81 81 VAL CB C 93 32.154 32.154 31.296 0.858 18522 418 1 . 1 1 81 81 VAL H H 93 7.073 7.073 7.555 -0.482 18522 419 1 . 1 1 82 82 LYS N N 94 128.366 128.366 120.608 7.758 18522 420 1 . 1 1 82 82 LYS C C 94 177.460 177.460 177.173 0.287 18522 421 1 . 1 1 82 82 LYS CA C 94 55.753 55.753 57.178 -1.425 18522 422 1 . 1 1 82 82 LYS CB C 94 32.332 32.332 32.049 0.283 18522 423 1 . 1 1 82 82 LYS H H 94 8.762 8.762 7.724 1.038 18522 424 1 . 1 1 83 83 GLY N N 95 112.528 112.528 111.552 0.976 18522 425 1 . 1 1 83 83 GLY C C 95 173.468 173.468 173.374 0.094 18522 426 1 . 1 1 83 83 GLY CA C 95 46.243 46.243 45.270 0.973 18522 427 1 . 1 1 83 83 GLY H H 95 8.673 8.673 8.829 -0.156 18522 428 1 . 1 1 84 84 GLU N N 96 121.485 121.485 120.116 1.369 18522 429 1 . 1 1 84 84 GLU HA H 96 4.749 4.749 4.969 -0.220 18522 430 1 . 1 1 84 84 GLU C C 96 174.583 174.583 174.339 0.244 18522 431 1 . 1 1 84 84 GLU CA C 96 55.821 55.821 54.644 1.177 18522 432 1 . 1 1 84 84 GLU CB C 96 31.410 31.410 33.649 -2.239 18522 433 1 . 1 1 84 84 GLU H H 96 8.297 8.297 7.680 0.617 18522 434 1 . 1 1 85 85 VAL N N 97 120.501 120.501 113.901 6.600 18522 435 1 . 1 1 85 85 VAL HA H 97 4.665 4.665 4.593 0.072 18522 436 1 . 1 1 85 85 VAL C C 97 173.047 173.047 174.020 -0.973 18522 437 1 . 1 1 85 85 VAL CA C 97 60.114 60.114 60.593 -0.479 18522 438 1 . 1 1 85 85 VAL CB C 97 35.184 35.184 35.620 -0.436 18522 439 1 . 1 1 85 85 VAL H H 97 9.096 9.096 8.452 0.644 18522 440 1 . 1 1 86 86 THR N N 98 125.019 125.019 119.864 5.155 18522 441 1 . 1 1 86 86 THR HA H 98 4.076 4.076 5.010 -0.934 18522 442 1 . 1 1 86 86 THR C C 98 173.807 173.807 173.673 0.134 18522 443 1 . 1 1 86 86 THR CA C 98 61.735 61.735 61.488 0.247 18522 444 1 . 1 1 86 86 THR CB C 98 69.531 69.531 70.154 -0.623 18522 445 1 . 1 1 86 86 THR H H 98 9.352 9.352 8.380 0.972 18522 446 1 . 1 1 87 87 ILE N N 99 128.383 128.383 123.238 5.145 18522 447 1 . 1 1 87 87 ILE HA H 99 4.661 4.661 4.749 -0.088 18522 448 1 . 1 1 87 87 ILE C C 99 174.614 174.614 174.429 0.185 18522 449 1 . 1 1 87 87 ILE CA C 99 58.258 58.258 59.148 -0.890 18522 450 1 . 1 1 87 87 ILE CB C 99 38.528 38.528 38.880 -0.352 18522 451 1 . 1 1 87 87 ILE H H 99 9.329 9.329 8.632 0.697 18522 452 1 . 1 1 88 88 HIS N N 100 128.279 128.279 125.800 2.479 18522 453 1 . 1 1 88 88 HIS HA H 100 4.948 4.948 5.298 -0.350 18522 454 1 . 1 1 88 88 HIS C C 100 174.787 174.787 174.429 0.358 18522 455 1 . 1 1 88 88 HIS CA C 100 54.620 54.620 54.474 0.146 18522 456 1 . 1 1 88 88 HIS H H 100 8.647 8.647 8.532 0.115 18522 457 1 . 1 1 89 89 TYR N N 101 121.320 121.320 123.350 -2.030 18522 458 1 . 1 1 89 89 TYR HA H 101 5.947 5.947 5.211 0.736 18522 459 1 . 1 1 89 89 TYR C C 101 173.769 173.769 173.363 0.407 18522 460 1 . 1 1 89 89 TYR CA C 101 55.669 55.669 56.267 -0.598 18522 461 1 . 1 1 89 89 TYR CB C 101 42.195 42.195 40.967 1.228 18522 462 1 . 1 1 89 89 TYR H H 101 8.414 8.414 8.981 -0.567 18522 463 1 . 1 1 90 90 ASN N N 102 116.679 116.679 116.916 -0.237 18522 464 1 . 1 1 90 90 ASN HA H 102 5.335 5.335 5.295 0.040 18522 465 1 . 1 1 90 90 ASN C C 102 175.406 175.406 173.993 1.413 18522 466 1 . 1 1 90 90 ASN CA C 102 51.961 51.961 52.201 -0.240 18522 467 1 . 1 1 90 90 ASN CB C 102 41.800 41.800 42.152 -0.352 18522 468 1 . 1 1 90 90 ASN H H 102 9.282 9.282 8.540 0.743 18522 469 1 . 1 1 91 91 LYS N N 103 124.129 124.129 119.983 4.146 18522 470 1 . 1 1 91 91 LYS C C 103 176.678 176.678 175.687 0.991 18522 471 1 . 1 1 91 91 LYS CA C 103 55.006 55.006 55.412 -0.406 18522 472 1 . 1 1 91 91 LYS H H 103 8.949 8.949 8.431 0.518 18522 473 1 . 1 1 92 92 LEU N N 104 127.043 127.043 118.065 8.978 18522 474 1 . 1 1 92 92 LEU HA H 104 4.425 4.425 4.418 0.007 18522 475 1 . 1 1 92 92 LEU CA C 104 55.060 55.060 54.965 0.095 18522 476 1 . 1 1 92 92 LEU CB C 104 42.559 42.559 42.681 -0.122 18522 477 1 . 1 1 92 92 LEU H H 104 9.150 9.150 8.193 0.957 18522 478 1 . 1 1 93 93 GLN HA H 105 4.315 4.315 4.365 -0.050 18522 479 1 . 1 1 93 93 GLN C C 105 175.070 175.070 175.123 -0.053 18522 480 1 . 1 1 93 93 GLN CA C 105 55.490 55.490 55.624 -0.134 18522 481 1 . 1 1 93 93 GLN CB C 105 28.909 28.909 28.853 0.056 18522 482 1 . 1 1 94 94 ALA N N 106 125.133 125.133 123.214 1.919 18522 483 1 . 1 1 94 94 ALA HA H 106 4.366 4.366 4.331 0.035 18522 484 1 . 1 1 94 94 ALA C C 106 176.392 176.392 175.678 0.714 18522 485 1 . 1 1 94 94 ALA CA C 106 51.723 51.723 52.158 -0.435 18522 486 1 . 1 1 94 94 ALA CB C 106 20.185 20.185 19.869 0.316 18522 487 1 . 1 1 94 94 ALA H H 106 8.226 8.226 7.996 0.230 18522 488 1 . 1 1 95 95 ASP N N 107 122.013 122.013 119.262 2.751 18522 489 1 . 1 1 95 95 ASP HA H 107 4.413 4.413 4.957 -0.544 18522 490 1 . 1 1 95 95 ASP C C 107 175.019 175.019 175.047 -0.028 18522 491 1 . 1 1 95 95 ASP CA C 107 55.642 55.642 52.108 3.534 18522 492 1 . 1 1 95 95 ASP CB C 107 41.266 41.266 42.666 -1.400 18522 493 1 . 1 1 95 95 ASP H H 107 8.429 8.429 8.239 0.190 18522 494 1 . 1 1 96 96 PRO HA H 108 4.207 4.207 3.998 0.209 18522 495 1 . 1 1 96 96 PRO C C 108 178.840 178.840 178.207 0.633 18522 496 1 . 1 1 96 96 PRO CA C 108 65.396 65.396 66.209 -0.813 18522 497 1 . 1 1 96 96 PRO CB C 108 32.181 32.181 31.761 0.420 18522 498 1 . 1 1 97 97 LYS N N 109 117.942 117.942 115.337 2.605 18522 499 1 . 1 1 97 97 LYS HA H 109 4.143 4.143 4.022 0.121 18522 500 1 . 1 1 97 97 LYS C C 109 178.099 178.099 179.031 -0.932 18522 501 1 . 1 1 97 97 LYS CA C 109 58.167 58.167 59.160 -0.993 18522 502 1 . 1 1 97 97 LYS CB C 109 31.649 31.649 31.467 0.183 18522 503 1 . 1 1 97 97 LYS H H 109 8.335 8.335 8.276 0.059 18522 504 1 . 1 1 98 98 GLN N N 110 119.159 119.159 118.121 1.038 18522 505 1 . 1 1 98 98 GLN HA H 110 4.130 4.130 4.306 -0.176 18522 506 1 . 1 1 98 98 GLN C C 110 178.298 178.298 178.199 0.099 18522 507 1 . 1 1 98 98 GLN CA C 110 57.660 57.660 57.187 0.473 18522 508 1 . 1 1 98 98 GLN CB C 110 28.720 28.720 28.811 -0.091 18522 509 1 . 1 1 98 98 GLN H H 110 7.985 7.985 8.065 -0.080 18522 510 1 . 1 1 99 99 LEU N N 111 120.490 120.490 122.464 -1.974 18522 511 1 . 1 1 99 99 LEU HA H 111 3.877 3.877 4.247 -0.370 18522 512 1 . 1 1 99 99 LEU C C 111 177.729 177.729 178.275 -0.546 18522 513 1 . 1 1 99 99 LEU CA C 111 57.049 57.049 57.803 -0.754 18522 514 1 . 1 1 99 99 LEU CB C 111 41.466 41.466 41.889 -0.423 18522 515 1 . 1 1 99 99 LEU H H 111 7.994 7.994 8.440 -0.446 18522 516 1 . 1 1 100 100 GLU N N 112 118.251 118.251 118.421 -0.170 18522 517 1 . 1 1 100 100 GLU HA H 112 3.972 3.972 4.122 -0.150 18522 518 1 . 1 1 100 100 GLU C C 112 178.402 178.402 178.630 -0.228 18522 519 1 . 1 1 100 100 GLU CA C 112 59.056 59.056 59.087 -0.031 18522 520 1 . 1 1 100 100 GLU CB C 112 29.732 29.732 29.046 0.686 18522 521 1 . 1 1 100 100 GLU H H 112 7.760 7.760 8.102 -0.342 18522 522 1 . 1 1 101 101 VAL N N 113 117.229 117.229 119.487 -2.258 18522 523 1 . 1 1 101 101 VAL HA H 113 3.762 3.762 3.837 -0.075 18522 524 1 . 1 1 101 101 VAL C C 113 178.107 178.107 177.816 0.291 18522 525 1 . 1 1 101 101 VAL CA C 113 64.791 64.791 65.578 -0.787 18522 526 1 . 1 1 101 101 VAL CB C 113 32.149 32.149 31.771 0.378 18522 527 1 . 1 1 101 101 VAL H H 113 7.437 7.437 7.465 -0.028 18522 528 1 . 1 1 102 102 LEU N N 114 122.124 122.124 119.019 3.105 18522 529 1 . 1 1 102 102 LEU HA H 114 4.033 4.033 4.183 -0.150 18522 530 1 . 1 1 102 102 LEU C C 114 178.506 178.506 178.208 0.298 18522 531 1 . 1 1 102 102 LEU CA C 114 57.243 57.243 56.766 0.477 18522 532 1 . 1 1 102 102 LEU CB C 114 42.028 42.028 41.936 0.092 18522 533 1 . 1 1 102 102 LEU H H 114 7.765 7.765 7.656 0.109 18522 534 1 . 1 1 103 103 PHE N N 115 115.346 115.346 118.681 -3.335 18522 535 1 . 1 1 103 103 PHE HA H 115 4.224 4.224 4.377 -0.153 18522 536 1 . 1 1 103 103 PHE C C 115 175.621 175.621 176.021 -0.400 18522 537 1 . 1 1 103 103 PHE CA C 115 57.537 57.537 58.609 -1.072 18522 538 1 . 1 1 103 103 PHE CB C 115 38.057 38.057 39.339 -1.282 18522 539 1 . 1 1 103 103 PHE H H 115 7.805 7.805 7.796 0.009 18522 540 1 . 1 1 104 104 GLN N N 116 119.021 119.021 118.469 0.552 18522 541 1 . 1 1 104 104 GLN HA H 116 4.407 4.407 4.148 0.259 18522 542 1 . 1 1 104 104 GLN C C 116 176.402 176.402 175.682 0.720 18522 543 1 . 1 1 104 104 GLN CA C 116 55.521 55.521 56.815 -1.294 18522 544 1 . 1 1 104 104 GLN CB C 116 29.170 29.170 28.335 0.835 18522 545 1 . 1 1 104 104 GLN H H 116 7.974 7.974 7.902 0.072 18522 546 1 . 1 1 105 105 GLY N N 117 108.868 108.868 108.044 0.824 18522 547 1 . 1 1 105 105 GLY CA C 117 45.124 45.124 45.236 -0.112 18522 548 1 . 1 1 105 105 GLY H H 117 8.195 8.195 7.956 0.239 18522 549 1 . 1 1 106 106 PRO HA H 118 4.490 4.490 4.197 0.293 18522 550 1 . 1 1 106 106 PRO C C 118 176.001 176.001 176.262 -0.261 18522 551 1 . 1 1 106 106 PRO CA C 118 63.523 63.523 63.637 -0.114 18522 552 1 . 1 1 106 106 PRO CB C 118 32.078 32.078 31.843 0.235 18522 553 1 . 1 1 107 107 GLN N N 119 126.950 126.950 119.182 7.768 18522 554 1 . 1 1 107 107 GLN C C 119 181.211 181.211 175.375 5.836 18522 555 1 . 1 1 107 107 GLN CA C 119 57.416 57.416 55.779 1.637 18522 556 1 . 1 1 107 107 GLN H H 119 8.079 8.079 8.227 -0.148 18522 557 1 . 1 1 111 111 ARG C C 123 174.608 174.608 175.100 -0.492 18522 558 1 . 1 1 111 111 ARG CA C 123 55.099 55.099 55.748 -0.649 18522 559 1 . 1 1 112 112 HIS N N 124 122.212 122.212 119.628 2.584 18522 560 1 . 1 1 112 112 HIS HA H 124 4.718 4.718 4.432 0.286 18522 561 1 . 1 1 112 112 HIS C C 124 176.040 176.040 174.365 1.675 18522 562 1 . 1 1 112 112 HIS CA C 124 54.213 54.213 55.487 -1.274 18522 563 1 . 1 1 112 112 HIS CB C 124 31.164 31.164 29.845 1.319 18522 564 1 . 1 1 112 112 HIS H H 124 7.640 7.640 8.314 -0.674 18522 565 1 . 1 1 113 113 TRP C C 125 176.168 176.168 175.209 0.959 18522 566 1 . 1 1 114 114 LEU N N 126 121.893 121.893 121.554 0.339 18522 567 1 . 1 1 114 114 LEU HA H 126 4.869 4.869 4.767 0.102 18522 568 1 . 1 1 114 114 LEU CA C 126 54.151 54.151 53.546 0.605 18522 569 1 . 1 1 114 114 LEU CB C 126 45.144 45.144 44.675 0.469 18522 570 1 . 1 1 114 114 LEU H H 126 8.606 8.606 8.538 0.068 18522 571 1 . 1 1 115 115 LYS N N 127 125.850 125.850 120.063 5.787 18522 572 1 . 1 1 115 115 LYS HA H 127 4.203 4.203 4.929 -0.726 18522 573 1 . 1 1 115 115 LYS C C 127 175.564 175.564 174.549 1.015 18522 574 1 . 1 1 115 115 LYS CA C 127 57.252 57.252 55.416 1.836 18522 575 1 . 1 1 115 115 LYS CB C 127 33.406 33.406 34.642 -1.236 18522 576 1 . 1 1 115 115 LYS H H 127 8.647 8.647 8.175 0.472 18522 stop_ save_