data_19498 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19498 _Entry.PDB_ID 2MDP 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 19498 _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 6 6 SER CA C 6 56.008 56.008 56.976 -0.968 19498 2 1 1 . 1 1 7 7 GLY N N 7 109.496 109.496 109.836 -0.340 19498 3 1 1 . 1 1 7 7 GLY CA C 7 46.042 46.042 46.902 -0.860 19498 4 1 1 . 1 1 7 7 GLY H H 7 8.432 8.432 8.729 -0.297 19498 5 1 1 . 1 1 8 8 ASN N N 8 119.432 119.432 119.478 -0.046 19498 6 1 1 . 1 1 8 8 ASN HA H 8 4.685 4.685 4.465 0.220 19498 7 1 1 . 1 1 8 8 ASN CA C 8 53.922 53.922 54.741 -0.819 19498 8 1 1 . 1 1 8 8 ASN CB C 8 37.970 37.970 38.053 -0.083 19498 9 1 1 . 1 1 8 8 ASN H H 8 8.367 8.367 8.619 -0.252 19498 10 1 1 . 1 1 9 9 LEU N N 9 123.537 123.537 119.235 4.302 19498 11 1 1 . 1 1 9 9 LEU HA H 9 3.984 3.984 4.196 -0.212 19498 12 1 1 . 1 1 9 9 LEU CA C 9 56.417 56.417 54.484 1.933 19498 13 1 1 . 1 1 9 9 LEU CB C 9 41.566 41.566 41.242 0.324 19498 14 1 1 . 1 1 9 9 LEU H H 9 7.922 7.922 7.338 0.584 19498 15 1 1 . 1 1 10 10 ALA N N 10 122.287 122.287 123.412 -1.125 19498 16 1 1 . 1 1 10 10 ALA HA H 10 4.127 4.127 3.980 0.147 19498 17 1 1 . 1 1 10 10 ALA CA C 10 55.912 55.912 55.575 0.337 19498 18 1 1 . 1 1 10 10 ALA CB C 10 17.998 17.998 18.040 -0.042 19498 19 1 1 . 1 1 10 10 ALA H H 10 8.064 8.064 7.605 0.459 19498 20 1 1 . 1 1 11 11 ALA N N 11 121.326 121.326 120.099 1.227 19498 21 1 1 . 1 1 11 11 ALA HA H 11 4.207 4.207 4.176 0.031 19498 22 1 1 . 1 1 11 11 ALA CA C 11 54.960 54.960 54.136 0.824 19498 23 1 1 . 1 1 11 11 ALA CB C 11 17.998 17.998 18.379 -0.381 19498 24 1 1 . 1 1 11 11 ALA H H 11 8.143 8.143 8.084 0.059 19498 25 1 1 . 1 1 12 12 PHE N N 12 122.913 122.913 119.478 3.435 19498 26 1 1 . 1 1 12 12 PHE HA H 12 4.411 4.411 4.097 0.314 19498 27 1 1 . 1 1 12 12 PHE CA C 12 61.007 61.007 60.978 0.029 19498 28 1 1 . 1 1 12 12 PHE CB C 12 39.499 39.499 39.189 0.310 19498 29 1 1 . 1 1 12 12 PHE H H 12 7.779 7.779 7.867 -0.088 19498 30 1 1 . 1 1 13 13 LYS N N 13 120.689 120.689 118.493 2.196 19498 31 1 1 . 1 1 13 13 LYS HA H 13 3.861 3.861 3.991 -0.130 19498 32 1 1 . 1 1 13 13 LYS CA C 13 59.099 59.099 58.809 0.290 19498 33 1 1 . 1 1 13 13 LYS CB C 13 31.867 31.867 31.299 0.568 19498 34 1 1 . 1 1 13 13 LYS H H 13 8.614 8.614 8.665 -0.051 19498 35 1 1 . 1 1 14 14 ALA N N 14 122.076 122.076 121.155 0.921 19498 36 1 1 . 1 1 14 14 ALA HA H 14 3.182 3.182 4.145 -0.963 19498 37 1 1 . 1 1 14 14 ALA CA C 14 55.108 55.108 54.630 0.478 19498 38 1 1 . 1 1 14 14 ALA CB C 14 18.120 18.120 17.949 0.171 19498 39 1 1 . 1 1 14 14 ALA H H 14 8.178 8.178 7.517 0.661 19498 40 1 1 . 1 1 15 15 ALA N N 15 121.714 121.714 120.301 1.413 19498 41 1 1 . 1 1 15 15 ALA HA H 15 4.040 4.040 4.064 -0.024 19498 42 1 1 . 1 1 15 15 ALA CA C 15 55.158 55.158 54.691 0.467 19498 43 1 1 . 1 1 15 15 ALA CB C 15 19.042 19.042 18.059 0.983 19498 44 1 1 . 1 1 15 15 ALA H H 15 7.793 7.793 7.697 0.096 19498 45 1 1 . 1 1 16 16 THR N N 16 111.959 111.959 115.193 -3.234 19498 46 1 1 . 1 1 16 16 THR HA H 16 3.705 3.705 3.820 -0.115 19498 47 1 1 . 1 1 16 16 THR CA C 16 66.762 66.762 66.710 0.051 19498 48 1 1 . 1 1 16 16 THR CB C 16 68.213 68.213 68.394 -0.182 19498 49 1 1 . 1 1 16 16 THR H H 16 8.133 8.133 7.646 0.487 19498 50 1 1 . 1 1 17 17 ASN N N 17 121.090 121.090 118.412 2.678 19498 51 1 1 . 1 1 17 17 ASN HA H 17 4.520 4.520 4.473 0.047 19498 52 1 1 . 1 1 17 17 ASN CA C 17 56.191 56.191 55.640 0.551 19498 53 1 1 . 1 1 17 17 ASN CB C 17 38.365 38.365 38.388 -0.023 19498 54 1 1 . 1 1 17 17 ASN H H 17 8.152 8.152 7.672 0.480 19498 55 1 1 . 1 1 18 18 LYS N N 18 119.978 119.978 119.009 0.969 19498 56 1 1 . 1 1 18 18 LYS HA H 18 3.914 3.914 3.982 -0.068 19498 57 1 1 . 1 1 18 18 LYS CA C 18 59.865 59.865 57.722 2.143 19498 58 1 1 . 1 1 18 18 LYS CB C 18 30.999 30.999 31.767 -0.768 19498 59 1 1 . 1 1 18 18 LYS H H 18 7.568 7.568 7.738 -0.170 19498 60 1 1 . 1 1 19 19 LEU N N 19 117.558 117.558 119.675 -2.117 19498 61 1 1 . 1 1 19 19 LEU HA H 19 4.135 4.135 4.042 0.093 19498 62 1 1 . 1 1 19 19 LEU CA C 19 58.001 58.001 57.843 0.158 19498 63 1 1 . 1 1 19 19 LEU CB C 19 40.823 40.823 41.684 -0.862 19498 64 1 1 . 1 1 19 19 LEU H H 19 7.001 7.001 7.506 -0.505 19498 65 1 1 . 1 1 20 20 PHE N N 20 121.123 121.123 119.046 2.077 19498 66 1 1 . 1 1 20 20 PHE HA H 20 4.873 4.873 4.173 0.700 19498 67 1 1 . 1 1 20 20 PHE CA C 20 60.375 60.375 61.307 -0.932 19498 68 1 1 . 1 1 20 20 PHE CB C 20 38.480 38.480 39.271 -0.791 19498 69 1 1 . 1 1 20 20 PHE H H 20 8.193 8.193 7.691 0.502 19498 70 1 1 . 1 1 21 21 GLN N N 21 118.591 118.591 115.592 2.999 19498 71 1 1 . 1 1 21 21 GLN HA H 21 4.208 4.208 4.131 0.077 19498 72 1 1 . 1 1 21 21 GLN CA C 21 58.055 58.055 57.730 0.325 19498 73 1 1 . 1 1 21 21 GLN CB C 21 28.284 28.284 28.169 0.115 19498 74 1 1 . 1 1 21 21 GLN H H 21 7.918 7.918 8.183 -0.265 19498 75 1 1 . 1 1 22 22 LEU N N 22 118.477 118.477 117.882 0.595 19498 76 1 1 . 1 1 22 22 LEU HA H 22 4.534 4.534 4.410 0.124 19498 77 1 1 . 1 1 22 22 LEU CA C 22 54.033 54.033 54.032 0.001 19498 78 1 1 . 1 1 22 22 LEU CB C 22 41.469 41.469 42.719 -1.250 19498 79 1 1 . 1 1 22 22 LEU H H 22 7.561 7.561 7.321 0.240 19498 80 1 1 . 1 1 23 23 ASP N N 23 115.410 115.410 119.490 -4.080 19498 81 1 1 . 1 1 23 23 ASP HA H 23 4.280 4.280 4.107 0.173 19498 82 1 1 . 1 1 23 23 ASP CA C 23 55.494 55.494 55.213 0.281 19498 83 1 1 . 1 1 23 23 ASP CB C 23 39.317 39.317 39.431 -0.114 19498 84 1 1 . 1 1 23 23 ASP H H 23 8.163 8.163 7.729 0.434 19498 85 1 1 . 1 1 24 24 LEU N N 24 116.367 116.367 114.770 1.597 19498 86 1 1 . 1 1 24 24 LEU HA H 24 4.790 4.790 4.878 -0.088 19498 87 1 1 . 1 1 24 24 LEU CA C 24 53.030 53.030 53.252 -0.222 19498 88 1 1 . 1 1 24 24 LEU CB C 24 43.867 43.867 43.860 0.007 19498 89 1 1 . 1 1 24 24 LEU H H 24 7.136 7.136 7.381 -0.245 19498 90 1 1 . 1 1 25 25 ALA N N 25 123.243 123.243 120.397 2.846 19498 91 1 1 . 1 1 25 25 ALA HA H 25 4.480 4.480 4.823 -0.343 19498 92 1 1 . 1 1 25 25 ALA CA C 25 50.890 50.890 51.599 -0.709 19498 93 1 1 . 1 1 25 25 ALA CB C 25 21.655 21.655 22.186 -0.531 19498 94 1 1 . 1 1 25 25 ALA H H 25 8.931 8.931 8.372 0.559 19498 95 1 1 . 1 1 26 26 VAL N N 26 119.587 119.587 122.623 -3.036 19498 96 1 1 . 1 1 26 26 VAL HA H 26 4.889 4.889 5.208 -0.319 19498 97 1 1 . 1 1 26 26 VAL CA C 26 61.278 61.278 61.096 0.182 19498 98 1 1 . 1 1 26 26 VAL CB C 26 33.310 33.310 35.339 -2.029 19498 99 1 1 . 1 1 26 26 VAL H H 26 7.575 7.575 8.374 -0.799 19498 100 1 1 . 1 1 27 27 ILE N N 27 130.377 130.377 123.933 6.444 19498 101 1 1 . 1 1 27 27 ILE HA H 27 4.489 4.489 4.841 -0.352 19498 102 1 1 . 1 1 27 27 ILE CA C 27 60.177 60.177 60.428 -0.251 19498 103 1 1 . 1 1 27 27 ILE CB C 27 40.019 40.019 40.898 -0.879 19498 104 1 1 . 1 1 27 27 ILE H H 27 9.437 9.437 9.155 0.282 19498 105 1 1 . 1 1 28 28 TYR N N 28 126.844 126.844 122.659 4.185 19498 106 1 1 . 1 1 28 28 TYR HA H 28 5.709 5.709 5.559 0.150 19498 107 1 1 . 1 1 28 28 TYR CA C 28 55.486 55.486 55.280 0.206 19498 108 1 1 . 1 1 28 28 TYR CB C 28 42.019 42.019 41.001 1.018 19498 109 1 1 . 1 1 28 28 TYR H H 28 8.531 8.531 8.369 0.162 19498 110 1 1 . 1 1 29 29 ASP N N 29 122.875 122.875 122.555 0.320 19498 111 1 1 . 1 1 29 29 ASP HA H 29 4.966 4.966 4.892 0.074 19498 112 1 1 . 1 1 29 29 ASP CA C 29 53.659 53.659 53.609 0.050 19498 113 1 1 . 1 1 29 29 ASP CB C 29 44.660 44.660 44.140 0.520 19498 114 1 1 . 1 1 29 29 ASP H H 29 8.614 8.614 8.983 -0.369 19498 115 1 1 . 1 1 30 30 ASP N N 30 119.325 119.325 126.510 -7.185 19498 116 1 1 . 1 1 30 30 ASP HA H 30 5.447 5.447 4.859 0.588 19498 117 1 1 . 1 1 30 30 ASP CA C 30 53.501 53.501 54.121 -0.620 19498 118 1 1 . 1 1 30 30 ASP CB C 30 43.921 43.921 43.137 0.784 19498 119 1 1 . 1 1 30 30 ASP H H 30 8.607 8.607 8.630 -0.023 19498 120 1 1 . 1 1 31 31 TRP N N 31 120.552 120.552 123.128 -2.576 19498 121 1 1 . 1 1 31 31 TRP HA H 31 4.615 4.615 4.151 0.464 19498 122 1 1 . 1 1 31 31 TRP CA C 31 58.000 58.000 58.380 -0.380 19498 123 1 1 . 1 1 31 31 TRP CB C 31 31.500 31.500 28.512 2.988 19498 124 1 1 . 1 1 31 31 TRP H H 31 8.673 8.673 8.810 -0.137 19498 125 1 1 . 1 1 32 32 TYR CA C 32 52.400 52.400 57.683 -5.283 19498 126 1 1 . 1 1 32 32 TYR CB C 32 42.350 42.350 39.697 2.653 19498 127 1 1 . 1 1 33 33 ASP CA C 33 52.400 52.400 53.201 -0.801 19498 128 1 1 . 1 1 33 33 ASP CB C 33 42.350 42.350 43.200 -0.850 19498 129 1 1 . 1 1 34 34 ALA N N 34 126.709 126.709 124.210 2.499 19498 130 1 1 . 1 1 34 34 ALA HA H 34 3.845 3.845 4.345 -0.500 19498 131 1 1 . 1 1 34 34 ALA CA C 34 58.599 58.599 52.742 5.857 19498 132 1 1 . 1 1 34 34 ALA CB C 34 18.610 18.610 19.123 -0.513 19498 133 1 1 . 1 1 34 34 ALA H H 34 8.424 8.424 8.352 0.072 19498 134 1 1 . 1 1 35 35 TYR N N 35 117.123 117.123 119.183 -2.060 19498 135 1 1 . 1 1 35 35 TYR HA H 35 4.350 4.350 4.487 -0.137 19498 136 1 1 . 1 1 35 35 TYR CA C 35 60.466 60.466 59.247 1.219 19498 137 1 1 . 1 1 35 35 TYR CB C 35 38.113 38.113 39.323 -1.210 19498 138 1 1 . 1 1 35 35 TYR H H 35 8.334 8.334 8.434 -0.100 19498 139 1 1 . 1 1 36 36 THR N N 36 108.046 108.046 113.083 -5.037 19498 140 1 1 . 1 1 36 36 THR HA H 36 4.018 4.018 4.006 0.012 19498 141 1 1 . 1 1 36 36 THR CA C 36 61.809 61.809 63.061 -1.252 19498 142 1 1 . 1 1 36 36 THR CB C 36 69.926 69.926 69.329 0.597 19498 143 1 1 . 1 1 36 36 THR H H 36 7.563 7.563 7.809 -0.246 19498 144 1 1 . 1 1 37 37 ARG N N 37 118.456 118.456 118.843 -0.387 19498 145 1 1 . 1 1 37 37 ARG CA C 37 57.001 57.001 56.974 0.027 19498 146 1 1 . 1 1 37 37 ARG H H 37 7.952 7.952 8.615 -0.663 19498 147 1 1 . 1 1 40 40 CYS CA C 40 56.316 56.316 57.096 -0.780 19498 148 1 1 . 1 1 40 40 CYS CB C 40 29.999 29.999 31.085 -1.086 19498 149 1 1 . 1 1 41 41 ILE N N 41 121.419 121.419 122.181 -0.762 19498 150 1 1 . 1 1 41 41 ILE HA H 41 4.709 4.709 4.505 0.204 19498 151 1 1 . 1 1 41 41 ILE CA C 41 60.462 60.462 60.031 0.431 19498 152 1 1 . 1 1 41 41 ILE CB C 41 42.309 42.309 38.267 4.042 19498 153 1 1 . 1 1 41 41 ILE H H 41 8.459 8.459 8.397 0.062 19498 154 1 1 . 1 1 42 42 ARG N N 42 127.916 127.916 127.046 0.870 19498 155 1 1 . 1 1 42 42 ARG CA C 42 54.501 54.501 54.933 -0.432 19498 156 1 1 . 1 1 42 42 ARG CB C 42 33.204 33.204 32.510 0.694 19498 157 1 1 . 1 1 42 42 ARG H H 42 9.004 9.004 8.591 0.413 19498 158 1 1 . 1 1 43 43 LEU N N 43 124.715 124.715 125.762 -1.047 19498 159 1 1 . 1 1 43 43 LEU HA H 43 5.538 5.538 4.886 0.652 19498 160 1 1 . 1 1 43 43 LEU CA C 43 53.266 53.266 54.111 -0.845 19498 161 1 1 . 1 1 43 43 LEU CB C 43 46.163 46.163 45.898 0.265 19498 162 1 1 . 1 1 43 43 LEU H H 43 8.757 8.757 9.346 -0.589 19498 163 1 1 . 1 1 44 44 ARG N N 44 123.499 123.499 127.131 -3.632 19498 164 1 1 . 1 1 44 44 ARG HA H 44 5.004 5.004 4.940 0.064 19498 165 1 1 . 1 1 44 44 ARG CA C 44 55.508 55.508 54.717 0.791 19498 166 1 1 . 1 1 44 44 ARG CB C 44 34.543 34.543 34.351 0.192 19498 167 1 1 . 1 1 44 44 ARG H H 44 9.366 9.366 9.340 0.026 19498 168 1 1 . 1 1 45 45 ILE N N 45 122.919 122.919 125.568 -2.649 19498 169 1 1 . 1 1 45 45 ILE HA H 45 5.260 5.260 5.033 0.227 19498 170 1 1 . 1 1 45 45 ILE CA C 45 59.933 59.933 58.839 1.094 19498 171 1 1 . 1 1 45 45 ILE CB C 45 39.751 39.751 39.733 0.018 19498 172 1 1 . 1 1 45 45 ILE H H 45 8.938 8.938 9.158 -0.220 19498 173 1 1 . 1 1 46 46 GLU N N 46 126.745 126.745 123.423 3.322 19498 174 1 1 . 1 1 46 46 GLU HA H 46 5.465 5.465 4.870 0.595 19498 175 1 1 . 1 1 46 46 GLU CA C 46 53.707 53.707 55.028 -1.321 19498 176 1 1 . 1 1 46 46 GLU CB C 46 35.276 35.276 32.763 2.513 19498 177 1 1 . 1 1 46 46 GLU H H 46 9.097 9.097 8.201 0.896 19498 178 1 1 . 1 1 47 47 ASP N N 47 117.988 117.988 120.472 -2.484 19498 179 1 1 . 1 1 47 47 ASP HA H 47 4.976 4.976 4.665 0.311 19498 180 1 1 . 1 1 47 47 ASP CA C 47 52.411 52.411 53.092 -0.681 19498 181 1 1 . 1 1 47 47 ASP CB C 47 41.609 41.609 42.613 -1.004 19498 182 1 1 . 1 1 47 47 ASP H H 47 8.209 8.209 8.302 -0.093 19498 183 1 1 . 1 1 48 48 ARG N N 48 117.098 117.098 118.064 -0.966 19498 184 1 1 . 1 1 48 48 ARG HA H 48 4.129 4.129 4.369 -0.240 19498 185 1 1 . 1 1 48 48 ARG CA C 48 58.323 58.323 57.415 0.908 19498 186 1 1 . 1 1 48 48 ARG CB C 48 29.511 29.511 30.340 -0.829 19498 187 1 1 . 1 1 48 48 ARG H H 48 8.872 8.872 8.498 0.374 19498 188 1 1 . 1 1 49 49 SER N N 49 115.006 115.006 115.535 -0.529 19498 189 1 1 . 1 1 49 49 SER HA H 49 4.614 4.614 4.451 0.163 19498 190 1 1 . 1 1 49 49 SER CA C 49 58.411 58.411 60.021 -1.610 19498 191 1 1 . 1 1 49 49 SER CB C 49 63.806 63.806 64.768 -0.962 19498 192 1 1 . 1 1 49 49 SER H H 49 8.142 8.142 8.600 -0.458 19498 193 1 1 . 1 1 50 50 GLY N N 50 109.042 109.042 107.183 1.859 19498 194 1 1 . 1 1 50 50 GLY CA C 50 44.997 44.997 45.292 -0.295 19498 195 1 1 . 1 1 50 50 GLY H H 50 8.035 8.035 7.984 0.051 19498 196 1 1 . 1 1 51 51 ASN N N 51 119.842 119.842 122.245 -2.403 19498 197 1 1 . 1 1 51 51 ASN HA H 51 4.546 4.546 4.617 -0.071 19498 198 1 1 . 1 1 51 51 ASN CA C 51 53.419 53.419 53.703 -0.284 19498 199 1 1 . 1 1 51 51 ASN CB C 51 38.422 38.422 38.181 0.241 19498 200 1 1 . 1 1 51 51 ASN H H 51 8.613 8.613 8.380 0.233 19498 201 1 1 . 1 1 52 52 LEU N N 52 124.085 124.085 120.902 3.183 19498 202 1 1 . 1 1 52 52 LEU HA H 52 4.142 4.142 4.579 -0.437 19498 203 1 1 . 1 1 52 52 LEU CA C 52 56.023 56.023 55.119 0.904 19498 204 1 1 . 1 1 52 52 LEU CB C 52 42.353 42.353 42.590 -0.237 19498 205 1 1 . 1 1 52 52 LEU H H 52 8.631 8.631 8.206 0.425 19498 206 1 1 . 1 1 53 53 ILE N N 53 129.362 129.362 121.818 7.544 19498 207 1 1 . 1 1 53 53 ILE HA H 53 4.137 4.137 4.414 -0.277 19498 208 1 1 . 1 1 53 53 ILE CA C 53 61.800 61.800 62.043 -0.243 19498 209 1 1 . 1 1 53 53 ILE CB C 53 37.256 37.256 38.770 -1.514 19498 210 1 1 . 1 1 53 53 ILE H H 53 9.432 9.432 8.505 0.927 19498 211 1 1 . 1 1 54 54 ASP N N 54 113.575 113.575 117.126 -3.551 19498 212 1 1 . 1 1 54 54 ASP HA H 54 4.847 4.847 4.945 -0.098 19498 213 1 1 . 1 1 54 54 ASP CA C 54 53.586 53.586 54.224 -0.638 19498 214 1 1 . 1 1 54 54 ASP CB C 54 44.500 44.500 44.508 -0.008 19498 215 1 1 . 1 1 54 54 ASP H H 54 7.761 7.761 7.872 -0.111 19498 216 1 1 . 1 1 55 55 THR N N 55 115.783 115.783 115.485 0.298 19498 217 1 1 . 1 1 55 55 THR HA H 55 5.427 5.427 4.977 0.450 19498 218 1 1 . 1 1 55 55 THR CA C 55 59.185 59.185 61.094 -1.909 19498 219 1 1 . 1 1 55 55 THR CB C 55 70.551 70.551 70.697 -0.146 19498 220 1 1 . 1 1 55 55 THR H H 55 10.106 10.106 8.287 1.819 19498 221 1 1 . 1 1 56 56 SER N N 56 119.808 119.808 119.396 0.412 19498 222 1 1 . 1 1 56 56 SER HA H 56 4.135 4.135 4.580 -0.445 19498 223 1 1 . 1 1 56 56 SER CA C 56 58.001 58.001 57.222 0.779 19498 224 1 1 . 1 1 56 56 SER CB C 56 65.039 65.039 64.536 0.503 19498 225 1 1 . 1 1 56 56 SER H H 56 7.872 7.872 9.084 -1.212 19498 226 1 1 . 1 1 57 57 THR N N 57 117.962 117.962 120.866 -2.904 19498 227 1 1 . 1 1 57 57 THR HA H 57 4.964 4.964 4.971 -0.007 19498 228 1 1 . 1 1 57 57 THR CA C 57 61.001 61.001 61.561 -0.560 19498 229 1 1 . 1 1 57 57 THR CB C 57 70.881 70.881 70.022 0.859 19498 230 1 1 . 1 1 57 57 THR H H 57 7.524 7.524 7.946 -0.422 19498 231 1 1 . 1 1 58 58 PHE N N 58 123.853 123.853 127.498 -3.645 19498 232 1 1 . 1 1 58 58 PHE HA H 58 4.603 4.603 4.751 -0.148 19498 233 1 1 . 1 1 58 58 PHE CA C 58 56.648 56.648 57.401 -0.754 19498 234 1 1 . 1 1 58 58 PHE CB C 58 43.583 43.583 41.192 2.391 19498 235 1 1 . 1 1 58 58 PHE H H 58 8.861 8.861 9.330 -0.469 19498 236 1 1 . 1 1 59 59 TYR N N 59 117.898 117.898 120.998 -3.100 19498 237 1 1 . 1 1 59 59 TYR HA H 59 5.328 5.328 4.892 0.436 19498 238 1 1 . 1 1 59 59 TYR CA C 59 56.221 56.221 57.928 -1.707 19498 239 1 1 . 1 1 59 59 TYR CB C 59 42.106 42.106 39.903 2.203 19498 240 1 1 . 1 1 59 59 TYR H H 59 8.328 8.328 8.414 -0.086 19498 241 1 1 . 1 1 60 60 HIS CA C 60 60.065 60.065 55.574 4.491 19498 242 1 1 . 1 1 60 60 HIS CB C 60 34.284 34.284 30.881 3.403 19498 243 1 1 . 1 1 61 61 HIS N N 61 121.880 121.880 119.531 2.349 19498 244 1 1 . 1 1 61 61 HIS CA C 61 58.001 58.001 56.289 1.712 19498 245 1 1 . 1 1 61 61 HIS CB C 61 29.999 29.999 30.675 -0.676 19498 246 1 1 . 1 1 61 61 HIS H H 61 7.734 7.734 7.708 0.026 19498 247 1 1 . 1 1 62 62 ASP N N 62 128.148 128.148 120.231 7.917 19498 248 1 1 . 1 1 62 62 ASP HA H 62 4.870 4.870 4.271 0.599 19498 249 1 1 . 1 1 62 62 ASP CA C 62 53.348 53.348 55.448 -2.100 19498 250 1 1 . 1 1 62 62 ASP CB C 62 42.600 42.600 41.200 1.400 19498 251 1 1 . 1 1 62 62 ASP H H 62 11.492 11.492 7.680 3.812 19498 252 1 1 . 1 1 63 63 GLU N N 63 126.564 126.564 120.294 6.270 19498 253 1 1 . 1 1 63 63 GLU HA H 63 3.795 3.795 3.868 -0.073 19498 254 1 1 . 1 1 63 63 GLU CA C 63 59.863 59.863 59.944 -0.081 19498 255 1 1 . 1 1 63 63 GLU CB C 63 34.007 34.007 29.243 4.764 19498 256 1 1 . 1 1 63 63 GLU H H 63 8.982 8.982 8.767 0.215 19498 257 1 1 . 1 1 64 64 ASP N N 64 117.779 117.779 119.642 -1.863 19498 258 1 1 . 1 1 64 64 ASP HA H 64 4.401 4.401 4.482 -0.081 19498 259 1 1 . 1 1 64 64 ASP CA C 64 57.664 57.664 57.413 0.251 19498 260 1 1 . 1 1 64 64 ASP CB C 64 40.369 40.369 40.501 -0.132 19498 261 1 1 . 1 1 64 64 ASP H H 64 8.272 8.272 8.500 -0.228 19498 262 1 1 . 1 1 65 65 VAL N N 65 121.948 121.948 120.353 1.595 19498 263 1 1 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.929 -0.543 19498 264 1 1 . 1 1 65 65 VAL CA C 65 65.913 65.913 65.144 0.769 19498 265 1 1 . 1 1 65 65 VAL CB C 65 31.465 31.465 31.987 -0.522 19498 266 1 1 . 1 1 65 65 VAL H H 65 7.335 7.335 7.668 -0.333 19498 267 1 1 . 1 1 66 66 LEU N N 66 120.747 120.747 121.712 -0.965 19498 268 1 1 . 1 1 66 66 LEU HA H 66 3.905 3.905 3.967 -0.062 19498 269 1 1 . 1 1 66 66 LEU CA C 66 58.076 58.076 58.131 -0.055 19498 270 1 1 . 1 1 66 66 LEU CB C 66 42.160 42.160 40.469 1.691 19498 271 1 1 . 1 1 66 66 LEU H H 66 8.164 8.164 7.670 0.494 19498 272 1 1 . 1 1 67 67 PHE N N 67 116.553 116.553 117.964 -1.411 19498 273 1 1 . 1 1 67 67 PHE HA H 67 3.900 3.900 3.974 -0.074 19498 274 1 1 . 1 1 67 67 PHE CA C 67 62.849 62.849 62.318 0.531 19498 275 1 1 . 1 1 67 67 PHE CB C 67 38.003 38.003 37.900 0.103 19498 276 1 1 . 1 1 67 67 PHE H H 67 8.350 8.350 8.461 -0.111 19498 277 1 1 . 1 1 68 68 ASN N N 68 121.020 121.020 118.802 2.218 19498 278 1 1 . 1 1 68 68 ASN HA H 68 4.415 4.415 4.424 -0.009 19498 279 1 1 . 1 1 68 68 ASN CA C 68 56.725 56.725 56.638 0.087 19498 280 1 1 . 1 1 68 68 ASN CB C 68 38.071 38.071 38.661 -0.590 19498 281 1 1 . 1 1 68 68 ASN H H 68 8.001 8.001 8.005 -0.004 19498 282 1 1 . 1 1 69 69 MET N N 69 120.402 120.402 119.128 1.274 19498 283 1 1 . 1 1 69 69 MET HA H 69 4.011 4.011 4.102 -0.091 19498 284 1 1 . 1 1 69 69 MET CA C 69 59.605 59.605 59.365 0.240 19498 285 1 1 . 1 1 69 69 MET CB C 69 31.867 31.867 32.470 -0.603 19498 286 1 1 . 1 1 69 69 MET H H 69 8.465 8.465 7.991 0.474 19498 287 1 1 . 1 1 70 70 CYS N N 70 117.496 117.496 117.393 0.103 19498 288 1 1 . 1 1 70 70 CYS CA C 70 63.145 63.145 63.840 -0.695 19498 289 1 1 . 1 1 70 70 CYS CB C 70 27.510 27.510 26.746 0.764 19498 290 1 1 . 1 1 70 70 CYS H H 70 7.616 7.616 7.910 -0.294 19498 291 1 1 . 1 1 71 71 THR N N 71 118.640 118.640 115.265 3.375 19498 292 1 1 . 1 1 71 71 THR HA H 71 4.270 4.270 4.100 0.170 19498 293 1 1 . 1 1 71 71 THR CA C 71 67.980 67.980 66.276 1.704 19498 294 1 1 . 1 1 71 71 THR CB C 71 67.949 67.949 68.548 -0.599 19498 295 1 1 . 1 1 71 71 THR H H 71 8.509 8.509 8.513 -0.004 19498 296 1 1 . 1 1 72 72 ASP HA H 72 4.430 4.430 4.434 -0.004 19498 297 1 1 . 1 1 72 72 ASP CA C 72 57.590 57.590 57.789 -0.199 19498 298 1 1 . 1 1 72 72 ASP CB C 72 40.415 40.415 40.739 -0.324 19498 299 1 1 . 1 1 73 73 TRP N N 73 121.657 121.657 121.377 0.280 19498 300 1 1 . 1 1 73 73 TRP HA H 73 4.407 4.407 4.316 0.091 19498 301 1 1 . 1 1 73 73 TRP CA C 73 62.951 62.951 61.717 1.234 19498 302 1 1 . 1 1 73 73 TRP CB C 73 29.114 29.114 29.734 -0.620 19498 303 1 1 . 1 1 73 73 TRP H H 73 7.780 7.780 7.712 0.068 19498 304 1 1 . 1 1 74 74 LEU N N 74 118.727 118.727 118.795 -0.068 19498 305 1 1 . 1 1 74 74 LEU HA H 74 3.582 3.582 3.520 0.062 19498 306 1 1 . 1 1 74 74 LEU CA C 74 58.184 58.184 57.836 0.348 19498 307 1 1 . 1 1 74 74 LEU CB C 74 37.610 37.610 41.430 -3.820 19498 308 1 1 . 1 1 74 74 LEU H H 74 8.490 8.490 7.694 0.796 19498 309 1 1 . 1 1 75 75 ASN N N 75 117.962 117.962 116.626 1.336 19498 310 1 1 . 1 1 75 75 ASN HA H 75 4.527 4.527 4.088 0.439 19498 311 1 1 . 1 1 75 75 ASN CA C 75 56.501 56.501 55.835 0.666 19498 312 1 1 . 1 1 75 75 ASN CB C 75 37.999 37.999 38.818 -0.819 19498 313 1 1 . 1 1 75 75 ASN H H 75 8.639 8.639 7.602 1.037 19498 314 1 1 . 1 1 76 76 HIS N N 76 120.823 120.823 119.511 1.312 19498 315 1 1 . 1 1 76 76 HIS HA H 76 4.450 4.450 4.109 0.341 19498 316 1 1 . 1 1 76 76 HIS CA C 76 58.737 58.737 59.354 -0.617 19498 317 1 1 . 1 1 76 76 HIS CB C 76 28.007 28.007 29.779 -1.772 19498 318 1 1 . 1 1 76 76 HIS H H 76 8.158 8.158 7.476 0.682 19498 319 1 1 . 1 1 77 77 MET N N 77 118.749 118.749 115.846 2.903 19498 320 1 1 . 1 1 77 77 MET HA H 77 4.071 4.071 3.710 0.361 19498 321 1 1 . 1 1 77 77 MET CA C 77 55.827 55.827 57.558 -1.731 19498 322 1 1 . 1 1 77 77 MET CB C 77 29.541 29.541 31.784 -2.243 19498 323 1 1 . 1 1 77 77 MET H H 77 8.404 8.404 7.103 1.301 19498 324 1 1 . 1 1 78 78 TYR N N 78 120.762 120.762 120.202 0.560 19498 325 1 1 . 1 1 78 78 TYR HA H 78 3.662 3.662 3.960 -0.298 19498 326 1 1 . 1 1 78 78 TYR CA C 78 62.640 62.640 60.147 2.493 19498 327 1 1 . 1 1 78 78 TYR CB C 78 37.545 37.545 37.263 0.282 19498 328 1 1 . 1 1 78 78 TYR H H 78 8.322 8.322 7.190 1.132 19498 329 1 1 . 1 1 79 79 ASP N N 79 116.578 116.578 116.857 -0.279 19498 330 1 1 . 1 1 79 79 ASP HA H 79 4.106 4.106 4.338 -0.232 19498 331 1 1 . 1 1 79 79 ASP CA C 79 57.410 57.410 57.171 0.239 19498 332 1 1 . 1 1 79 79 ASP CB C 79 40.503 40.503 40.912 -0.409 19498 333 1 1 . 1 1 79 79 ASP H H 79 7.460 7.460 7.961 -0.501 19498 334 1 1 . 1 1 80 80 GLN N N 80 116.175 116.175 118.064 -1.889 19498 335 1 1 . 1 1 80 80 GLN HA H 80 4.056 4.056 4.036 0.020 19498 336 1 1 . 1 1 80 80 GLN CA C 80 57.629 57.629 58.439 -0.810 19498 337 1 1 . 1 1 80 80 GLN CB C 80 29.662 29.662 28.584 1.078 19498 338 1 1 . 1 1 80 80 GLN H H 80 7.552 7.552 7.717 -0.165 19498 339 1 1 . 1 1 81 81 LEU N N 81 118.398 118.398 116.888 1.510 19498 340 1 1 . 1 1 81 81 LEU HA H 81 4.233 4.233 4.253 -0.020 19498 341 1 1 . 1 1 81 81 LEU CA C 81 55.461 55.461 56.086 -0.625 19498 342 1 1 . 1 1 81 81 LEU CB C 81 42.406 42.406 41.645 0.761 19498 343 1 1 . 1 1 81 81 LEU H H 81 7.957 7.957 7.914 0.043 19498 344 1 1 . 1 1 82 82 LYS N N 82 119.114 119.114 118.870 0.244 19498 345 1 1 . 1 1 82 82 LYS HA H 82 3.841 3.841 4.179 -0.338 19498 346 1 1 . 1 1 82 82 LYS CA C 82 58.510 58.510 58.280 0.230 19498 347 1 1 . 1 1 82 82 LYS CB C 82 30.922 30.922 32.616 -1.694 19498 348 1 1 . 1 1 82 82 LYS H H 82 7.664 7.664 7.500 0.164 19498 349 1 1 . 1 1 83 83 ASP N N 83 118.655 118.655 119.636 -0.981 19498 350 1 1 . 1 1 83 83 ASP HA H 83 4.819 4.819 4.642 0.177 19498 351 1 1 . 1 1 83 83 ASP CA C 83 53.886 53.886 55.249 -1.363 19498 352 1 1 . 1 1 83 83 ASP CB C 83 40.986 40.986 41.815 -0.828 19498 353 1 1 . 1 1 83 83 ASP H H 83 7.862 7.862 7.938 -0.076 19498 354 1 1 . 1 1 84 84 TRP N N 84 121.757 121.757 121.015 0.742 19498 355 1 1 . 1 1 84 84 TRP CA C 84 58.462 58.462 57.284 1.178 19498 356 1 1 . 1 1 84 84 TRP CB C 84 28.934 28.934 29.617 -0.683 19498 357 1 1 . 1 1 84 84 TRP H H 84 7.925 7.925 7.659 0.266 19498 358 1 2 . 1 1 6 6 SER CA C 6 56.008 56.008 57.706 -1.698 19498 359 1 2 . 1 1 7 7 GLY N N 7 109.496 109.496 108.818 0.678 19498 360 1 2 . 1 1 7 7 GLY CA C 7 46.042 46.042 45.759 0.283 19498 361 1 2 . 1 1 7 7 GLY H H 7 8.432 8.432 8.430 0.002 19498 362 1 2 . 1 1 8 8 ASN N N 8 119.432 119.432 117.647 1.785 19498 363 1 2 . 1 1 8 8 ASN HA H 8 4.685 4.685 4.643 0.042 19498 364 1 2 . 1 1 8 8 ASN CA C 8 53.922 53.922 52.695 1.227 19498 365 1 2 . 1 1 8 8 ASN CB C 8 37.970 37.970 38.831 -0.861 19498 366 1 2 . 1 1 8 8 ASN H H 8 8.367 8.367 7.882 0.485 19498 367 1 2 . 1 1 9 9 LEU N N 9 123.537 123.537 120.296 3.241 19498 368 1 2 . 1 1 9 9 LEU HA H 9 3.984 3.984 4.577 -0.593 19498 369 1 2 . 1 1 9 9 LEU CA C 9 56.417 56.417 54.494 1.923 19498 370 1 2 . 1 1 9 9 LEU CB C 9 41.566 41.566 41.610 -0.044 19498 371 1 2 . 1 1 9 9 LEU H H 9 7.922 7.922 7.729 0.193 19498 372 1 2 . 1 1 10 10 ALA N N 10 122.287 122.287 124.059 -1.772 19498 373 1 2 . 1 1 10 10 ALA HA H 10 4.127 4.127 3.952 0.175 19498 374 1 2 . 1 1 10 10 ALA CA C 10 55.912 55.912 55.108 0.804 19498 375 1 2 . 1 1 10 10 ALA CB C 10 17.998 17.998 18.366 -0.368 19498 376 1 2 . 1 1 10 10 ALA H H 10 8.064 8.064 8.045 0.019 19498 377 1 2 . 1 1 11 11 ALA N N 11 121.326 121.326 119.652 1.674 19498 378 1 2 . 1 1 11 11 ALA HA H 11 4.207 4.207 4.234 -0.027 19498 379 1 2 . 1 1 11 11 ALA CA C 11 54.960 54.960 53.864 1.096 19498 380 1 2 . 1 1 11 11 ALA CB C 11 17.998 17.998 18.424 -0.426 19498 381 1 2 . 1 1 11 11 ALA H H 11 8.143 8.143 8.244 -0.101 19498 382 1 2 . 1 1 12 12 PHE N N 12 122.913 122.913 119.506 3.407 19498 383 1 2 . 1 1 12 12 PHE HA H 12 4.411 4.411 4.206 0.205 19498 384 1 2 . 1 1 12 12 PHE CA C 12 61.007 61.007 60.877 0.130 19498 385 1 2 . 1 1 12 12 PHE CB C 12 39.499 39.499 39.278 0.221 19498 386 1 2 . 1 1 12 12 PHE H H 12 7.779 7.779 8.121 -0.342 19498 387 1 2 . 1 1 13 13 LYS N N 13 120.689 120.689 118.400 2.289 19498 388 1 2 . 1 1 13 13 LYS HA H 13 3.861 3.861 4.150 -0.289 19498 389 1 2 . 1 1 13 13 LYS CA C 13 59.099 59.099 58.735 0.364 19498 390 1 2 . 1 1 13 13 LYS CB C 13 31.867 31.867 31.607 0.260 19498 391 1 2 . 1 1 13 13 LYS H H 13 8.614 8.614 8.464 0.150 19498 392 1 2 . 1 1 14 14 ALA N N 14 122.076 122.076 120.756 1.320 19498 393 1 2 . 1 1 14 14 ALA HA H 14 3.182 3.182 4.106 -0.924 19498 394 1 2 . 1 1 14 14 ALA CA C 14 55.108 55.108 54.924 0.184 19498 395 1 2 . 1 1 14 14 ALA CB C 14 18.120 18.120 18.070 0.050 19498 396 1 2 . 1 1 14 14 ALA H H 14 8.178 8.178 8.019 0.159 19498 397 1 2 . 1 1 15 15 ALA N N 15 121.714 121.714 119.906 1.808 19498 398 1 2 . 1 1 15 15 ALA HA H 15 4.040 4.040 4.068 -0.028 19498 399 1 2 . 1 1 15 15 ALA CA C 15 55.158 55.158 54.132 1.026 19498 400 1 2 . 1 1 15 15 ALA CB C 15 19.042 19.042 18.156 0.886 19498 401 1 2 . 1 1 15 15 ALA H H 15 7.793 7.793 7.409 0.384 19498 402 1 2 . 1 1 16 16 THR N N 16 111.959 111.959 115.966 -4.007 19498 403 1 2 . 1 1 16 16 THR HA H 16 3.705 3.705 3.830 -0.125 19498 404 1 2 . 1 1 16 16 THR CA C 16 66.762 66.762 67.450 -0.688 19498 405 1 2 . 1 1 16 16 THR CB C 16 68.213 68.213 68.525 -0.312 19498 406 1 2 . 1 1 16 16 THR H H 16 8.133 8.133 7.674 0.459 19498 407 1 2 . 1 1 17 17 ASN N N 17 121.090 121.090 119.043 2.047 19498 408 1 2 . 1 1 17 17 ASN HA H 17 4.520 4.520 4.461 0.059 19498 409 1 2 . 1 1 17 17 ASN CA C 17 56.191 56.191 56.177 0.014 19498 410 1 2 . 1 1 17 17 ASN CB C 17 38.365 38.365 38.661 -0.296 19498 411 1 2 . 1 1 17 17 ASN H H 17 8.152 8.152 7.728 0.424 19498 412 1 2 . 1 1 18 18 LYS N N 18 119.978 119.978 119.463 0.515 19498 413 1 2 . 1 1 18 18 LYS HA H 18 3.914 3.914 4.210 -0.296 19498 414 1 2 . 1 1 18 18 LYS CA C 18 59.865 59.865 58.898 0.967 19498 415 1 2 . 1 1 18 18 LYS CB C 18 30.999 30.999 31.450 -0.451 19498 416 1 2 . 1 1 18 18 LYS H H 18 7.568 7.568 7.922 -0.354 19498 417 1 2 . 1 1 19 19 LEU N N 19 117.558 117.558 119.911 -2.353 19498 418 1 2 . 1 1 19 19 LEU HA H 19 4.135 4.135 4.328 -0.193 19498 419 1 2 . 1 1 19 19 LEU CA C 19 58.001 58.001 58.583 -0.582 19498 420 1 2 . 1 1 19 19 LEU CB C 19 40.823 40.823 42.003 -1.180 19498 421 1 2 . 1 1 19 19 LEU H H 19 7.001 7.001 7.532 -0.531 19498 422 1 2 . 1 1 20 20 PHE N N 20 121.123 121.123 119.335 1.788 19498 423 1 2 . 1 1 20 20 PHE HA H 20 4.873 4.873 4.160 0.713 19498 424 1 2 . 1 1 20 20 PHE CA C 20 60.375 60.375 61.259 -0.884 19498 425 1 2 . 1 1 20 20 PHE CB C 20 38.480 38.480 38.963 -0.483 19498 426 1 2 . 1 1 20 20 PHE H H 20 8.193 8.193 7.659 0.534 19498 427 1 2 . 1 1 21 21 GLN N N 21 118.591 118.591 119.181 -0.590 19498 428 1 2 . 1 1 21 21 GLN HA H 21 4.208 4.208 3.980 0.228 19498 429 1 2 . 1 1 21 21 GLN CA C 21 58.055 58.055 58.658 -0.603 19498 430 1 2 . 1 1 21 21 GLN CB C 21 28.284 28.284 28.885 -0.601 19498 431 1 2 . 1 1 21 21 GLN H H 21 7.918 7.918 7.753 0.165 19498 432 1 2 . 1 1 22 22 LEU N N 22 118.477 118.477 117.996 0.481 19498 433 1 2 . 1 1 22 22 LEU HA H 22 4.534 4.534 4.458 0.076 19498 434 1 2 . 1 1 22 22 LEU CA C 22 54.033 54.033 54.769 -0.736 19498 435 1 2 . 1 1 22 22 LEU CB C 22 41.469 41.469 41.517 -0.048 19498 436 1 2 . 1 1 22 22 LEU H H 22 7.561 7.561 7.814 -0.253 19498 437 1 2 . 1 1 23 23 ASP N N 23 115.410 115.410 118.053 -2.643 19498 438 1 2 . 1 1 23 23 ASP HA H 23 4.280 4.280 4.050 0.230 19498 439 1 2 . 1 1 23 23 ASP CA C 23 55.494 55.494 55.303 0.191 19498 440 1 2 . 1 1 23 23 ASP CB C 23 39.317 39.317 39.334 -0.017 19498 441 1 2 . 1 1 23 23 ASP H H 23 8.163 8.163 7.648 0.515 19498 442 1 2 . 1 1 24 24 LEU N N 24 116.367 116.367 116.272 0.095 19498 443 1 2 . 1 1 24 24 LEU HA H 24 4.790 4.790 4.868 -0.078 19498 444 1 2 . 1 1 24 24 LEU CA C 24 53.030 53.030 53.302 -0.272 19498 445 1 2 . 1 1 24 24 LEU CB C 24 43.867 43.867 44.231 -0.364 19498 446 1 2 . 1 1 24 24 LEU H H 24 7.136 7.136 7.856 -0.720 19498 447 1 2 . 1 1 25 25 ALA N N 25 123.243 123.243 120.314 2.929 19498 448 1 2 . 1 1 25 25 ALA HA H 25 4.480 4.480 4.750 -0.270 19498 449 1 2 . 1 1 25 25 ALA CA C 25 50.890 50.890 51.793 -0.903 19498 450 1 2 . 1 1 25 25 ALA CB C 25 21.655 21.655 21.880 -0.225 19498 451 1 2 . 1 1 25 25 ALA H H 25 8.931 8.931 8.206 0.725 19498 452 1 2 . 1 1 26 26 VAL N N 26 119.587 119.587 120.194 -0.607 19498 453 1 2 . 1 1 26 26 VAL HA H 26 4.889 4.889 4.699 0.190 19498 454 1 2 . 1 1 26 26 VAL CA C 26 61.278 61.278 61.007 0.271 19498 455 1 2 . 1 1 26 26 VAL CB C 26 33.310 33.310 35.483 -2.173 19498 456 1 2 . 1 1 26 26 VAL H H 26 7.575 7.575 8.381 -0.806 19498 457 1 2 . 1 1 27 27 ILE N N 27 130.377 130.377 122.766 7.611 19498 458 1 2 . 1 1 27 27 ILE HA H 27 4.489 4.489 4.795 -0.306 19498 459 1 2 . 1 1 27 27 ILE CA C 27 60.177 60.177 60.406 -0.229 19498 460 1 2 . 1 1 27 27 ILE CB C 27 40.019 40.019 40.823 -0.804 19498 461 1 2 . 1 1 27 27 ILE H H 27 9.437 9.437 8.091 1.346 19498 462 1 2 . 1 1 28 28 TYR N N 28 126.844 126.844 122.284 4.560 19498 463 1 2 . 1 1 28 28 TYR HA H 28 5.709 5.709 5.673 0.036 19498 464 1 2 . 1 1 28 28 TYR CA C 28 55.486 55.486 55.188 0.298 19498 465 1 2 . 1 1 28 28 TYR CB C 28 42.019 42.019 40.317 1.702 19498 466 1 2 . 1 1 28 28 TYR H H 28 8.531 8.531 8.208 0.323 19498 467 1 2 . 1 1 29 29 ASP N N 29 122.875 122.875 124.914 -2.039 19498 468 1 2 . 1 1 29 29 ASP HA H 29 4.966 4.966 4.691 0.275 19498 469 1 2 . 1 1 29 29 ASP CA C 29 53.659 53.659 53.820 -0.161 19498 470 1 2 . 1 1 29 29 ASP CB C 29 44.660 44.660 44.277 0.383 19498 471 1 2 . 1 1 29 29 ASP H H 29 8.614 8.614 8.883 -0.269 19498 472 1 2 . 1 1 30 30 ASP N N 30 119.325 119.325 119.471 -0.146 19498 473 1 2 . 1 1 30 30 ASP HA H 30 5.447 5.447 4.996 0.451 19498 474 1 2 . 1 1 30 30 ASP CA C 30 53.501 53.501 53.373 0.127 19498 475 1 2 . 1 1 30 30 ASP CB C 30 43.921 43.921 42.594 1.327 19498 476 1 2 . 1 1 30 30 ASP H H 30 8.607 8.607 7.773 0.834 19498 477 1 2 . 1 1 31 31 TRP N N 31 120.552 120.552 123.819 -3.267 19498 478 1 2 . 1 1 31 31 TRP HA H 31 4.615 4.615 4.869 -0.254 19498 479 1 2 . 1 1 31 31 TRP CA C 31 58.000 58.000 57.597 0.403 19498 480 1 2 . 1 1 31 31 TRP CB C 31 31.500 31.500 32.203 -0.703 19498 481 1 2 . 1 1 31 31 TRP H H 31 8.673 8.673 8.443 0.230 19498 482 1 2 . 1 1 32 32 TYR CA C 32 52.400 52.400 57.991 -5.591 19498 483 1 2 . 1 1 32 32 TYR CB C 32 42.350 42.350 37.812 4.537 19498 484 1 2 . 1 1 33 33 ASP CA C 33 52.400 52.400 53.783 -1.383 19498 485 1 2 . 1 1 33 33 ASP CB C 33 42.350 42.350 41.620 0.730 19498 486 1 2 . 1 1 34 34 ALA N N 34 126.709 126.709 123.972 2.737 19498 487 1 2 . 1 1 34 34 ALA HA H 34 3.845 3.845 4.183 -0.338 19498 488 1 2 . 1 1 34 34 ALA CA C 34 58.599 58.599 52.452 6.147 19498 489 1 2 . 1 1 34 34 ALA CB C 34 18.610 18.610 18.122 0.488 19498 490 1 2 . 1 1 34 34 ALA H H 34 8.424 8.424 7.880 0.544 19498 491 1 2 . 1 1 35 35 TYR N N 35 117.123 117.123 127.310 -10.187 19498 492 1 2 . 1 1 35 35 TYR HA H 35 4.350 4.350 4.015 0.335 19498 493 1 2 . 1 1 35 35 TYR CA C 35 60.466 60.466 61.043 -0.577 19498 494 1 2 . 1 1 35 35 TYR CB C 35 38.113 38.113 38.392 -0.279 19498 495 1 2 . 1 1 35 35 TYR H H 35 8.334 8.334 8.393 -0.059 19498 496 1 2 . 1 1 36 36 THR N N 36 108.046 108.046 113.797 -5.751 19498 497 1 2 . 1 1 36 36 THR HA H 36 4.018 4.018 4.287 -0.269 19498 498 1 2 . 1 1 36 36 THR CA C 36 61.809 61.809 63.000 -1.191 19498 499 1 2 . 1 1 36 36 THR CB C 36 69.926 69.926 68.689 1.236 19498 500 1 2 . 1 1 36 36 THR H H 36 7.563 7.563 8.299 -0.736 19498 501 1 2 . 1 1 37 37 ARG N N 37 118.456 118.456 120.461 -2.005 19498 502 1 2 . 1 1 37 37 ARG CA C 37 57.001 57.001 54.498 2.503 19498 503 1 2 . 1 1 37 37 ARG H H 37 7.952 7.952 7.195 0.757 19498 504 1 2 . 1 1 40 40 CYS CA C 40 56.316 56.316 58.201 -1.885 19498 505 1 2 . 1 1 40 40 CYS CB C 40 29.999 29.999 30.588 -0.589 19498 506 1 2 . 1 1 41 41 ILE N N 41 121.419 121.419 121.979 -0.560 19498 507 1 2 . 1 1 41 41 ILE HA H 41 4.709 4.709 4.508 0.201 19498 508 1 2 . 1 1 41 41 ILE CA C 41 60.462 60.462 60.922 -0.460 19498 509 1 2 . 1 1 41 41 ILE CB C 41 42.309 42.309 38.575 3.734 19498 510 1 2 . 1 1 41 41 ILE H H 41 8.459 8.459 7.739 0.720 19498 511 1 2 . 1 1 42 42 ARG N N 42 127.916 127.916 127.106 0.810 19498 512 1 2 . 1 1 42 42 ARG CA C 42 54.501 54.501 54.478 0.023 19498 513 1 2 . 1 1 42 42 ARG CB C 42 33.204 33.204 32.334 0.870 19498 514 1 2 . 1 1 42 42 ARG H H 42 9.004 9.004 9.055 -0.051 19498 515 1 2 . 1 1 43 43 LEU N N 43 124.715 124.715 126.119 -1.404 19498 516 1 2 . 1 1 43 43 LEU HA H 43 5.538 5.538 5.200 0.338 19498 517 1 2 . 1 1 43 43 LEU CA C 43 53.266 53.266 54.344 -1.078 19498 518 1 2 . 1 1 43 43 LEU CB C 43 46.163 46.163 43.553 2.610 19498 519 1 2 . 1 1 43 43 LEU H H 43 8.757 8.757 9.094 -0.337 19498 520 1 2 . 1 1 44 44 ARG N N 44 123.499 123.499 125.472 -1.973 19498 521 1 2 . 1 1 44 44 ARG HA H 44 5.004 5.004 5.046 -0.042 19498 522 1 2 . 1 1 44 44 ARG CA C 44 55.508 55.508 54.951 0.557 19498 523 1 2 . 1 1 44 44 ARG CB C 44 34.543 34.543 33.514 1.028 19498 524 1 2 . 1 1 44 44 ARG H H 44 9.366 9.366 8.695 0.671 19498 525 1 2 . 1 1 45 45 ILE N N 45 122.919 122.919 127.122 -4.203 19498 526 1 2 . 1 1 45 45 ILE HA H 45 5.260 5.260 4.604 0.656 19498 527 1 2 . 1 1 45 45 ILE CA C 45 59.933 59.933 58.913 1.020 19498 528 1 2 . 1 1 45 45 ILE CB C 45 39.751 39.751 39.571 0.180 19498 529 1 2 . 1 1 45 45 ILE H H 45 8.938 8.938 8.527 0.411 19498 530 1 2 . 1 1 46 46 GLU N N 46 126.745 126.745 125.914 0.831 19498 531 1 2 . 1 1 46 46 GLU HA H 46 5.465 5.465 4.542 0.923 19498 532 1 2 . 1 1 46 46 GLU CA C 46 53.707 53.707 55.420 -1.714 19498 533 1 2 . 1 1 46 46 GLU CB C 46 35.276 35.276 32.989 2.288 19498 534 1 2 . 1 1 46 46 GLU H H 46 9.097 9.097 8.657 0.440 19498 535 1 2 . 1 1 47 47 ASP N N 47 117.988 117.988 125.052 -7.064 19498 536 1 2 . 1 1 47 47 ASP HA H 47 4.976 4.976 4.793 0.183 19498 537 1 2 . 1 1 47 47 ASP CA C 47 52.411 52.411 53.544 -1.133 19498 538 1 2 . 1 1 47 47 ASP CB C 47 41.609 41.609 42.998 -1.389 19498 539 1 2 . 1 1 47 47 ASP H H 47 8.209 8.209 8.645 -0.436 19498 540 1 2 . 1 1 48 48 ARG N N 48 117.098 117.098 120.461 -3.363 19498 541 1 2 . 1 1 48 48 ARG HA H 48 4.129 4.129 4.290 -0.161 19498 542 1 2 . 1 1 48 48 ARG CA C 48 58.323 58.323 56.801 1.522 19498 543 1 2 . 1 1 48 48 ARG CB C 48 29.511 29.511 29.568 -0.057 19498 544 1 2 . 1 1 48 48 ARG H H 48 8.872 8.872 8.628 0.244 19498 545 1 2 . 1 1 49 49 SER N N 49 115.006 115.006 113.448 1.558 19498 546 1 2 . 1 1 49 49 SER HA H 49 4.614 4.614 4.602 0.012 19498 547 1 2 . 1 1 49 49 SER CA C 49 58.411 58.411 57.126 1.285 19498 548 1 2 . 1 1 49 49 SER CB C 49 63.806 63.806 65.326 -1.520 19498 549 1 2 . 1 1 49 49 SER H H 49 8.142 8.142 7.783 0.359 19498 550 1 2 . 1 1 50 50 GLY N N 50 109.042 109.042 109.949 -0.907 19498 551 1 2 . 1 1 50 50 GLY CA C 50 44.997 44.997 45.729 -0.732 19498 552 1 2 . 1 1 50 50 GLY H H 50 8.035 8.035 8.748 -0.713 19498 553 1 2 . 1 1 51 51 ASN N N 51 119.842 119.842 120.315 -0.473 19498 554 1 2 . 1 1 51 51 ASN HA H 51 4.546 4.546 4.832 -0.286 19498 555 1 2 . 1 1 51 51 ASN CA C 51 53.419 53.419 52.551 0.868 19498 556 1 2 . 1 1 51 51 ASN CB C 51 38.422 38.422 39.593 -1.171 19498 557 1 2 . 1 1 51 51 ASN H H 51 8.613 8.613 8.332 0.281 19498 558 1 2 . 1 1 52 52 LEU N N 52 124.085 124.085 118.045 6.040 19498 559 1 2 . 1 1 52 52 LEU HA H 52 4.142 4.142 3.993 0.149 19498 560 1 2 . 1 1 52 52 LEU CA C 52 56.023 56.023 55.521 0.502 19498 561 1 2 . 1 1 52 52 LEU CB C 52 42.353 42.353 40.093 2.260 19498 562 1 2 . 1 1 52 52 LEU H H 52 8.631 8.631 7.577 1.054 19498 563 1 2 . 1 1 53 53 ILE N N 53 129.362 129.362 122.466 6.896 19498 564 1 2 . 1 1 53 53 ILE HA H 53 4.137 4.137 4.017 0.120 19498 565 1 2 . 1 1 53 53 ILE CA C 53 61.800 61.800 62.036 -0.236 19498 566 1 2 . 1 1 53 53 ILE CB C 53 37.256 37.256 38.144 -0.888 19498 567 1 2 . 1 1 53 53 ILE H H 53 9.432 9.432 8.442 0.990 19498 568 1 2 . 1 1 54 54 ASP N N 54 113.575 113.575 115.585 -2.010 19498 569 1 2 . 1 1 54 54 ASP HA H 54 4.847 4.847 4.897 -0.050 19498 570 1 2 . 1 1 54 54 ASP CA C 54 53.586 53.586 54.180 -0.594 19498 571 1 2 . 1 1 54 54 ASP CB C 54 44.500 44.500 43.619 0.881 19498 572 1 2 . 1 1 54 54 ASP H H 54 7.761 7.761 8.157 -0.396 19498 573 1 2 . 1 1 55 55 THR N N 55 115.783 115.783 113.161 2.622 19498 574 1 2 . 1 1 55 55 THR HA H 55 5.427 5.427 5.345 0.082 19498 575 1 2 . 1 1 55 55 THR CA C 55 59.185 59.185 60.822 -1.637 19498 576 1 2 . 1 1 55 55 THR CB C 55 70.551 70.551 71.953 -1.402 19498 577 1 2 . 1 1 55 55 THR H H 55 10.106 10.106 8.249 1.857 19498 578 1 2 . 1 1 56 56 SER N N 56 119.808 119.808 119.647 0.161 19498 579 1 2 . 1 1 56 56 SER HA H 56 4.135 4.135 4.455 -0.320 19498 580 1 2 . 1 1 56 56 SER CA C 56 58.001 58.001 57.599 0.402 19498 581 1 2 . 1 1 56 56 SER CB C 56 65.039 65.039 66.170 -1.131 19498 582 1 2 . 1 1 56 56 SER H H 56 7.872 7.872 9.068 -1.196 19498 583 1 2 . 1 1 57 57 THR N N 57 117.962 117.962 120.380 -2.418 19498 584 1 2 . 1 1 57 57 THR HA H 57 4.964 4.964 4.870 0.094 19498 585 1 2 . 1 1 57 57 THR CA C 57 61.001 61.001 61.779 -0.778 19498 586 1 2 . 1 1 57 57 THR CB C 57 70.881 70.881 70.082 0.799 19498 587 1 2 . 1 1 57 57 THR H H 57 7.524 7.524 8.091 -0.567 19498 588 1 2 . 1 1 58 58 PHE N N 58 123.853 123.853 127.060 -3.207 19498 589 1 2 . 1 1 58 58 PHE HA H 58 4.603 4.603 4.632 -0.029 19498 590 1 2 . 1 1 58 58 PHE CA C 58 56.648 56.648 57.249 -0.601 19498 591 1 2 . 1 1 58 58 PHE CB C 58 43.583 43.583 41.340 2.243 19498 592 1 2 . 1 1 58 58 PHE H H 58 8.861 8.861 9.270 -0.409 19498 593 1 2 . 1 1 59 59 TYR N N 59 117.898 117.898 120.564 -2.666 19498 594 1 2 . 1 1 59 59 TYR HA H 59 5.328 5.328 5.011 0.317 19498 595 1 2 . 1 1 59 59 TYR CA C 59 56.221 56.221 57.843 -1.622 19498 596 1 2 . 1 1 59 59 TYR CB C 59 42.106 42.106 39.509 2.597 19498 597 1 2 . 1 1 59 59 TYR H H 59 8.328 8.328 8.361 -0.033 19498 598 1 2 . 1 1 60 60 HIS CA C 60 60.065 60.065 56.324 3.741 19498 599 1 2 . 1 1 60 60 HIS CB C 60 34.284 34.284 30.505 3.780 19498 600 1 2 . 1 1 61 61 HIS N N 61 121.880 121.880 120.980 0.900 19498 601 1 2 . 1 1 61 61 HIS CA C 61 58.001 58.001 56.350 1.651 19498 602 1 2 . 1 1 61 61 HIS CB C 61 29.999 29.999 30.632 -0.633 19498 603 1 2 . 1 1 61 61 HIS H H 61 7.734 7.734 8.746 -1.012 19498 604 1 2 . 1 1 62 62 ASP N N 62 128.148 128.148 120.207 7.941 19498 605 1 2 . 1 1 62 62 ASP HA H 62 4.870 4.870 4.356 0.514 19498 606 1 2 . 1 1 62 62 ASP CA C 62 53.348 53.348 55.381 -2.033 19498 607 1 2 . 1 1 62 62 ASP CB C 62 42.600 42.600 41.886 0.714 19498 608 1 2 . 1 1 62 62 ASP H H 62 11.492 11.492 7.892 3.600 19498 609 1 2 . 1 1 63 63 GLU N N 63 126.564 126.564 120.042 6.522 19498 610 1 2 . 1 1 63 63 GLU HA H 63 3.795 3.795 4.101 -0.306 19498 611 1 2 . 1 1 63 63 GLU CA C 63 59.863 59.863 58.627 1.236 19498 612 1 2 . 1 1 63 63 GLU CB C 63 34.007 34.007 29.862 4.145 19498 613 1 2 . 1 1 63 63 GLU H H 63 8.982 8.982 8.770 0.212 19498 614 1 2 . 1 1 64 64 ASP N N 64 117.779 117.779 121.243 -3.464 19498 615 1 2 . 1 1 64 64 ASP HA H 64 4.401 4.401 4.383 0.018 19498 616 1 2 . 1 1 64 64 ASP CA C 64 57.664 57.664 57.623 0.041 19498 617 1 2 . 1 1 64 64 ASP CB C 64 40.369 40.369 40.932 -0.563 19498 618 1 2 . 1 1 64 64 ASP H H 64 8.272 8.272 8.039 0.233 19498 619 1 2 . 1 1 65 65 VAL N N 65 121.948 121.948 120.327 1.621 19498 620 1 2 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.785 -0.399 19498 621 1 2 . 1 1 65 65 VAL CA C 65 65.913 65.913 65.415 0.498 19498 622 1 2 . 1 1 65 65 VAL CB C 65 31.465 31.465 31.998 -0.533 19498 623 1 2 . 1 1 65 65 VAL H H 65 7.335 7.335 7.490 -0.155 19498 624 1 2 . 1 1 66 66 LEU N N 66 120.747 120.747 121.406 -0.659 19498 625 1 2 . 1 1 66 66 LEU HA H 66 3.905 3.905 3.947 -0.042 19498 626 1 2 . 1 1 66 66 LEU CA C 66 58.076 58.076 57.874 0.202 19498 627 1 2 . 1 1 66 66 LEU CB C 66 42.160 42.160 40.815 1.345 19498 628 1 2 . 1 1 66 66 LEU H H 66 8.164 8.164 7.551 0.613 19498 629 1 2 . 1 1 67 67 PHE N N 67 116.553 116.553 118.221 -1.668 19498 630 1 2 . 1 1 67 67 PHE HA H 67 3.900 3.900 4.076 -0.176 19498 631 1 2 . 1 1 67 67 PHE CA C 67 62.849 62.849 62.770 0.079 19498 632 1 2 . 1 1 67 67 PHE CB C 67 38.003 38.003 38.291 -0.288 19498 633 1 2 . 1 1 67 67 PHE H H 67 8.350 8.350 8.692 -0.342 19498 634 1 2 . 1 1 68 68 ASN N N 68 121.020 121.020 118.466 2.554 19498 635 1 2 . 1 1 68 68 ASN HA H 68 4.415 4.415 4.451 -0.036 19498 636 1 2 . 1 1 68 68 ASN CA C 68 56.725 56.725 56.152 0.573 19498 637 1 2 . 1 1 68 68 ASN CB C 68 38.071 38.071 38.399 -0.328 19498 638 1 2 . 1 1 68 68 ASN H H 68 8.001 8.001 7.991 0.010 19498 639 1 2 . 1 1 69 69 MET N N 69 120.402 120.402 119.181 1.221 19498 640 1 2 . 1 1 69 69 MET HA H 69 4.011 4.011 4.078 -0.067 19498 641 1 2 . 1 1 69 69 MET CA C 69 59.605 59.605 59.581 0.024 19498 642 1 2 . 1 1 69 69 MET CB C 69 31.867 31.867 32.547 -0.680 19498 643 1 2 . 1 1 69 69 MET H H 69 8.465 8.465 8.091 0.374 19498 644 1 2 . 1 1 70 70 CYS N N 70 117.496 117.496 117.965 -0.469 19498 645 1 2 . 1 1 70 70 CYS CA C 70 63.145 63.145 64.455 -1.310 19498 646 1 2 . 1 1 70 70 CYS CB C 70 27.510 27.510 26.801 0.709 19498 647 1 2 . 1 1 70 70 CYS H H 70 7.616 7.616 7.797 -0.181 19498 648 1 2 . 1 1 71 71 THR N N 71 118.640 118.640 115.083 3.557 19498 649 1 2 . 1 1 71 71 THR HA H 71 4.270 4.270 3.887 0.383 19498 650 1 2 . 1 1 71 71 THR CA C 71 67.980 67.980 66.530 1.450 19498 651 1 2 . 1 1 71 71 THR CB C 71 67.949 67.949 68.451 -0.502 19498 652 1 2 . 1 1 71 71 THR H H 71 8.509 8.509 8.055 0.454 19498 653 1 2 . 1 1 72 72 ASP HA H 72 4.430 4.430 4.389 0.041 19498 654 1 2 . 1 1 72 72 ASP CA C 72 57.590 57.590 57.559 0.031 19498 655 1 2 . 1 1 72 72 ASP CB C 72 40.415 40.415 40.743 -0.328 19498 656 1 2 . 1 1 73 73 TRP N N 73 121.657 121.657 121.696 -0.039 19498 657 1 2 . 1 1 73 73 TRP HA H 73 4.407 4.407 4.252 0.155 19498 658 1 2 . 1 1 73 73 TRP CA C 73 62.951 62.951 61.598 1.353 19498 659 1 2 . 1 1 73 73 TRP CB C 73 29.114 29.114 29.593 -0.479 19498 660 1 2 . 1 1 73 73 TRP H H 73 7.780 7.780 7.953 -0.173 19498 661 1 2 . 1 1 74 74 LEU N N 74 118.727 118.727 118.593 0.134 19498 662 1 2 . 1 1 74 74 LEU HA H 74 3.582 3.582 3.786 -0.204 19498 663 1 2 . 1 1 74 74 LEU CA C 74 58.184 58.184 58.309 -0.125 19498 664 1 2 . 1 1 74 74 LEU CB C 74 37.610 37.610 41.667 -4.057 19498 665 1 2 . 1 1 74 74 LEU H H 74 8.490 8.490 8.250 0.240 19498 666 1 2 . 1 1 75 75 ASN N N 75 117.962 117.962 116.157 1.805 19498 667 1 2 . 1 1 75 75 ASN HA H 75 4.527 4.527 4.504 0.023 19498 668 1 2 . 1 1 75 75 ASN CA C 75 56.501 56.501 56.009 0.492 19498 669 1 2 . 1 1 75 75 ASN CB C 75 37.999 37.999 38.620 -0.621 19498 670 1 2 . 1 1 75 75 ASN H H 75 8.639 8.639 7.809 0.830 19498 671 1 2 . 1 1 76 76 HIS N N 76 120.823 120.823 118.830 1.993 19498 672 1 2 . 1 1 76 76 HIS HA H 76 4.450 4.450 4.194 0.256 19498 673 1 2 . 1 1 76 76 HIS CA C 76 58.737 58.737 59.244 -0.507 19498 674 1 2 . 1 1 76 76 HIS CB C 76 28.007 28.007 29.860 -1.853 19498 675 1 2 . 1 1 76 76 HIS H H 76 8.158 8.158 7.807 0.351 19498 676 1 2 . 1 1 77 77 MET N N 77 118.749 118.749 115.207 3.542 19498 677 1 2 . 1 1 77 77 MET HA H 77 4.071 4.071 3.767 0.304 19498 678 1 2 . 1 1 77 77 MET CA C 77 55.827 55.827 57.463 -1.636 19498 679 1 2 . 1 1 77 77 MET CB C 77 29.541 29.541 31.831 -2.290 19498 680 1 2 . 1 1 77 77 MET H H 77 8.404 8.404 7.195 1.209 19498 681 1 2 . 1 1 78 78 TYR N N 78 120.762 120.762 119.909 0.853 19498 682 1 2 . 1 1 78 78 TYR HA H 78 3.662 3.662 3.969 -0.307 19498 683 1 2 . 1 1 78 78 TYR CA C 78 62.640 62.640 62.459 0.181 19498 684 1 2 . 1 1 78 78 TYR CB C 78 37.545 37.545 37.548 -0.003 19498 685 1 2 . 1 1 78 78 TYR H H 78 8.322 8.322 7.657 0.665 19498 686 1 2 . 1 1 79 79 ASP N N 79 116.578 116.578 118.049 -1.471 19498 687 1 2 . 1 1 79 79 ASP HA H 79 4.106 4.106 4.310 -0.204 19498 688 1 2 . 1 1 79 79 ASP CA C 79 57.410 57.410 57.708 -0.298 19498 689 1 2 . 1 1 79 79 ASP CB C 79 40.503 40.503 40.106 0.397 19498 690 1 2 . 1 1 79 79 ASP H H 79 7.460 7.460 8.242 -0.782 19498 691 1 2 . 1 1 80 80 GLN N N 80 116.175 116.175 119.663 -3.488 19498 692 1 2 . 1 1 80 80 GLN HA H 80 4.056 4.056 4.097 -0.041 19498 693 1 2 . 1 1 80 80 GLN CA C 80 57.629 57.629 58.368 -0.739 19498 694 1 2 . 1 1 80 80 GLN CB C 80 29.662 29.662 28.627 1.036 19498 695 1 2 . 1 1 80 80 GLN H H 80 7.552 7.552 7.722 -0.170 19498 696 1 2 . 1 1 81 81 LEU N N 81 118.398 118.398 118.704 -0.306 19498 697 1 2 . 1 1 81 81 LEU HA H 81 4.233 4.233 4.050 0.183 19498 698 1 2 . 1 1 81 81 LEU CA C 81 55.461 55.461 57.395 -1.934 19498 699 1 2 . 1 1 81 81 LEU CB C 81 42.406 42.406 41.975 0.430 19498 700 1 2 . 1 1 81 81 LEU H H 81 7.957 7.957 7.684 0.273 19498 701 1 2 . 1 1 82 82 LYS N N 82 119.114 119.114 118.904 0.210 19498 702 1 2 . 1 1 82 82 LYS HA H 82 3.841 3.841 4.032 -0.191 19498 703 1 2 . 1 1 82 82 LYS CA C 82 58.510 58.510 59.799 -1.289 19498 704 1 2 . 1 1 82 82 LYS CB C 82 30.922 30.922 32.408 -1.486 19498 705 1 2 . 1 1 82 82 LYS H H 82 7.664 7.664 7.885 -0.221 19498 706 1 2 . 1 1 83 83 ASP N N 83 118.655 118.655 116.376 2.279 19498 707 1 2 . 1 1 83 83 ASP HA H 83 4.819 4.819 4.726 0.093 19498 708 1 2 . 1 1 83 83 ASP CA C 83 53.886 53.886 54.229 -0.343 19498 709 1 2 . 1 1 83 83 ASP CB C 83 40.986 40.986 40.915 0.071 19498 710 1 2 . 1 1 83 83 ASP H H 83 7.862 7.862 7.712 0.150 19498 711 1 2 . 1 1 84 84 TRP N N 84 121.757 121.757 122.251 -0.494 19498 712 1 2 . 1 1 84 84 TRP CA C 84 58.462 58.462 57.136 1.326 19498 713 1 2 . 1 1 84 84 TRP CB C 84 28.934 28.934 30.362 -1.428 19498 714 1 2 . 1 1 84 84 TRP H H 84 7.925 7.925 7.463 0.462 19498 715 1 3 . 1 1 6 6 SER CA C 6 56.008 56.008 57.570 -1.562 19498 716 1 3 . 1 1 7 7 GLY N N 7 109.496 109.496 108.471 1.025 19498 717 1 3 . 1 1 7 7 GLY CA C 7 46.042 46.042 46.216 -0.174 19498 718 1 3 . 1 1 7 7 GLY H H 7 8.432 8.432 8.587 -0.155 19498 719 1 3 . 1 1 8 8 ASN N N 8 119.432 119.432 117.173 2.259 19498 720 1 3 . 1 1 8 8 ASN HA H 8 4.685 4.685 4.767 -0.082 19498 721 1 3 . 1 1 8 8 ASN CA C 8 53.922 53.922 53.540 0.382 19498 722 1 3 . 1 1 8 8 ASN CB C 8 37.970 37.970 38.804 -0.834 19498 723 1 3 . 1 1 8 8 ASN H H 8 8.367 8.367 8.222 0.145 19498 724 1 3 . 1 1 9 9 LEU N N 9 123.537 123.537 119.001 4.536 19498 725 1 3 . 1 1 9 9 LEU HA H 9 3.984 3.984 4.649 -0.664 19498 726 1 3 . 1 1 9 9 LEU CA C 9 56.417 56.417 54.425 1.992 19498 727 1 3 . 1 1 9 9 LEU CB C 9 41.566 41.566 42.436 -0.870 19498 728 1 3 . 1 1 9 9 LEU H H 9 7.922 7.922 7.115 0.807 19498 729 1 3 . 1 1 10 10 ALA N N 10 122.287 122.287 124.212 -1.925 19498 730 1 3 . 1 1 10 10 ALA HA H 10 4.127 4.127 4.076 0.051 19498 731 1 3 . 1 1 10 10 ALA CA C 10 55.912 55.912 55.539 0.372 19498 732 1 3 . 1 1 10 10 ALA CB C 10 17.998 17.998 18.318 -0.320 19498 733 1 3 . 1 1 10 10 ALA H H 10 8.064 8.064 7.803 0.261 19498 734 1 3 . 1 1 11 11 ALA N N 11 121.326 121.326 119.741 1.585 19498 735 1 3 . 1 1 11 11 ALA HA H 11 4.207 4.207 4.217 -0.010 19498 736 1 3 . 1 1 11 11 ALA CA C 11 54.960 54.960 54.120 0.840 19498 737 1 3 . 1 1 11 11 ALA CB C 11 17.998 17.998 18.481 -0.483 19498 738 1 3 . 1 1 11 11 ALA H H 11 8.143 8.143 8.204 -0.061 19498 739 1 3 . 1 1 12 12 PHE N N 12 122.913 122.913 119.161 3.752 19498 740 1 3 . 1 1 12 12 PHE HA H 12 4.411 4.411 4.199 0.212 19498 741 1 3 . 1 1 12 12 PHE CA C 12 61.007 61.007 61.385 -0.378 19498 742 1 3 . 1 1 12 12 PHE CB C 12 39.499 39.499 39.274 0.225 19498 743 1 3 . 1 1 12 12 PHE H H 12 7.779 7.779 8.275 -0.496 19498 744 1 3 . 1 1 13 13 LYS N N 13 120.689 120.689 117.664 3.025 19498 745 1 3 . 1 1 13 13 LYS HA H 13 3.861 3.861 4.067 -0.206 19498 746 1 3 . 1 1 13 13 LYS CA C 13 59.099 59.099 58.391 0.708 19498 747 1 3 . 1 1 13 13 LYS CB C 13 31.867 31.867 31.689 0.178 19498 748 1 3 . 1 1 13 13 LYS H H 13 8.614 8.614 8.025 0.589 19498 749 1 3 . 1 1 14 14 ALA N N 14 122.076 122.076 121.394 0.682 19498 750 1 3 . 1 1 14 14 ALA HA H 14 3.182 3.182 4.185 -1.003 19498 751 1 3 . 1 1 14 14 ALA CA C 14 55.108 55.108 54.868 0.240 19498 752 1 3 . 1 1 14 14 ALA CB C 14 18.120 18.120 18.094 0.026 19498 753 1 3 . 1 1 14 14 ALA H H 14 8.178 8.178 7.581 0.597 19498 754 1 3 . 1 1 15 15 ALA N N 15 121.714 121.714 120.368 1.346 19498 755 1 3 . 1 1 15 15 ALA HA H 15 4.040 4.040 4.004 0.036 19498 756 1 3 . 1 1 15 15 ALA CA C 15 55.158 55.158 54.707 0.451 19498 757 1 3 . 1 1 15 15 ALA CB C 15 19.042 19.042 18.458 0.584 19498 758 1 3 . 1 1 15 15 ALA H H 15 7.793 7.793 7.915 -0.122 19498 759 1 3 . 1 1 16 16 THR N N 16 111.959 111.959 115.526 -3.567 19498 760 1 3 . 1 1 16 16 THR HA H 16 3.705 3.705 3.780 -0.075 19498 761 1 3 . 1 1 16 16 THR CA C 16 66.762 66.762 67.037 -0.275 19498 762 1 3 . 1 1 16 16 THR CB C 16 68.213 68.213 68.551 -0.338 19498 763 1 3 . 1 1 16 16 THR H H 16 8.133 8.133 7.519 0.614 19498 764 1 3 . 1 1 17 17 ASN N N 17 121.090 121.090 118.861 2.229 19498 765 1 3 . 1 1 17 17 ASN HA H 17 4.520 4.520 4.770 -0.250 19498 766 1 3 . 1 1 17 17 ASN CA C 17 56.191 56.191 56.096 0.095 19498 767 1 3 . 1 1 17 17 ASN CB C 17 38.365 38.365 38.575 -0.210 19498 768 1 3 . 1 1 17 17 ASN H H 17 8.152 8.152 7.977 0.175 19498 769 1 3 . 1 1 18 18 LYS N N 18 119.978 119.978 118.758 1.220 19498 770 1 3 . 1 1 18 18 LYS HA H 18 3.914 3.914 4.028 -0.114 19498 771 1 3 . 1 1 18 18 LYS CA C 18 59.865 59.865 57.952 1.913 19498 772 1 3 . 1 1 18 18 LYS CB C 18 30.999 30.999 31.588 -0.589 19498 773 1 3 . 1 1 18 18 LYS H H 18 7.568 7.568 7.432 0.136 19498 774 1 3 . 1 1 19 19 LEU N N 19 117.558 117.558 119.182 -1.624 19498 775 1 3 . 1 1 19 19 LEU HA H 19 4.135 4.135 4.091 0.044 19498 776 1 3 . 1 1 19 19 LEU CA C 19 58.001 58.001 57.710 0.291 19498 777 1 3 . 1 1 19 19 LEU CB C 19 40.823 40.823 41.428 -0.605 19498 778 1 3 . 1 1 19 19 LEU H H 19 7.001 7.001 7.508 -0.507 19498 779 1 3 . 1 1 20 20 PHE N N 20 121.123 121.123 115.942 5.181 19498 780 1 3 . 1 1 20 20 PHE HA H 20 4.873 4.873 4.180 0.693 19498 781 1 3 . 1 1 20 20 PHE CA C 20 60.375 60.375 61.459 -1.084 19498 782 1 3 . 1 1 20 20 PHE CB C 20 38.480 38.480 38.085 0.395 19498 783 1 3 . 1 1 20 20 PHE H H 20 8.193 8.193 7.453 0.740 19498 784 1 3 . 1 1 21 21 GLN N N 21 118.591 118.591 116.526 2.065 19498 785 1 3 . 1 1 21 21 GLN HA H 21 4.208 4.208 4.191 0.017 19498 786 1 3 . 1 1 21 21 GLN CA C 21 58.055 58.055 58.130 -0.075 19498 787 1 3 . 1 1 21 21 GLN CB C 21 28.284 28.284 28.761 -0.476 19498 788 1 3 . 1 1 21 21 GLN H H 21 7.918 7.918 7.799 0.119 19498 789 1 3 . 1 1 22 22 LEU N N 22 118.477 118.477 118.950 -0.473 19498 790 1 3 . 1 1 22 22 LEU HA H 22 4.534 4.534 4.509 0.025 19498 791 1 3 . 1 1 22 22 LEU CA C 22 54.033 54.033 54.677 -0.644 19498 792 1 3 . 1 1 22 22 LEU CB C 22 41.469 41.469 43.870 -2.401 19498 793 1 3 . 1 1 22 22 LEU H H 22 7.561 7.561 7.448 0.113 19498 794 1 3 . 1 1 23 23 ASP N N 23 115.410 115.410 115.805 -0.395 19498 795 1 3 . 1 1 23 23 ASP HA H 23 4.280 4.280 4.237 0.043 19498 796 1 3 . 1 1 23 23 ASP CA C 23 55.494 55.494 55.761 -0.267 19498 797 1 3 . 1 1 23 23 ASP CB C 23 39.317 39.317 38.406 0.911 19498 798 1 3 . 1 1 23 23 ASP H H 23 8.163 8.163 7.931 0.232 19498 799 1 3 . 1 1 24 24 LEU N N 24 116.367 116.367 118.537 -2.170 19498 800 1 3 . 1 1 24 24 LEU HA H 24 4.790 4.790 4.598 0.192 19498 801 1 3 . 1 1 24 24 LEU CA C 24 53.030 53.030 53.554 -0.524 19498 802 1 3 . 1 1 24 24 LEU CB C 24 43.867 43.867 44.212 -0.345 19498 803 1 3 . 1 1 24 24 LEU H H 24 7.136 7.136 7.929 -0.793 19498 804 1 3 . 1 1 25 25 ALA N N 25 123.243 123.243 121.759 1.484 19498 805 1 3 . 1 1 25 25 ALA HA H 25 4.480 4.480 4.521 -0.041 19498 806 1 3 . 1 1 25 25 ALA CA C 25 50.890 50.890 51.334 -0.444 19498 807 1 3 . 1 1 25 25 ALA CB C 25 21.655 21.655 21.649 0.006 19498 808 1 3 . 1 1 25 25 ALA H H 25 8.931 8.931 7.995 0.936 19498 809 1 3 . 1 1 26 26 VAL N N 26 119.587 119.587 120.145 -0.558 19498 810 1 3 . 1 1 26 26 VAL HA H 26 4.889 4.889 4.584 0.305 19498 811 1 3 . 1 1 26 26 VAL CA C 26 61.278 61.278 61.504 -0.226 19498 812 1 3 . 1 1 26 26 VAL CB C 26 33.310 33.310 35.390 -2.080 19498 813 1 3 . 1 1 26 26 VAL H H 26 7.575 7.575 8.220 -0.645 19498 814 1 3 . 1 1 27 27 ILE N N 27 130.377 130.377 124.821 5.556 19498 815 1 3 . 1 1 27 27 ILE HA H 27 4.489 4.489 4.737 -0.248 19498 816 1 3 . 1 1 27 27 ILE CA C 27 60.177 60.177 60.314 -0.137 19498 817 1 3 . 1 1 27 27 ILE CB C 27 40.019 40.019 40.496 -0.477 19498 818 1 3 . 1 1 27 27 ILE H H 27 9.437 9.437 8.984 0.453 19498 819 1 3 . 1 1 28 28 TYR N N 28 126.844 126.844 121.715 5.129 19498 820 1 3 . 1 1 28 28 TYR HA H 28 5.709 5.709 5.560 0.149 19498 821 1 3 . 1 1 28 28 TYR CA C 28 55.486 55.486 54.974 0.512 19498 822 1 3 . 1 1 28 28 TYR CB C 28 42.019 42.019 39.816 2.203 19498 823 1 3 . 1 1 28 28 TYR H H 28 8.531 8.531 8.088 0.443 19498 824 1 3 . 1 1 29 29 ASP N N 29 122.875 122.875 122.522 0.353 19498 825 1 3 . 1 1 29 29 ASP HA H 29 4.966 4.966 4.534 0.432 19498 826 1 3 . 1 1 29 29 ASP CA C 29 53.659 53.659 54.467 -0.808 19498 827 1 3 . 1 1 29 29 ASP CB C 29 44.660 44.660 41.905 2.755 19498 828 1 3 . 1 1 29 29 ASP H H 29 8.614 8.614 8.550 0.064 19498 829 1 3 . 1 1 30 30 ASP N N 30 119.325 119.325 118.784 0.541 19498 830 1 3 . 1 1 30 30 ASP HA H 30 5.447 5.447 4.819 0.628 19498 831 1 3 . 1 1 30 30 ASP CA C 30 53.501 53.501 53.567 -0.066 19498 832 1 3 . 1 1 30 30 ASP CB C 30 43.921 43.921 42.942 0.979 19498 833 1 3 . 1 1 30 30 ASP H H 30 8.607 8.607 8.176 0.431 19498 834 1 3 . 1 1 31 31 TRP N N 31 120.552 120.552 121.772 -1.220 19498 835 1 3 . 1 1 31 31 TRP HA H 31 4.615 4.615 4.830 -0.215 19498 836 1 3 . 1 1 31 31 TRP CA C 31 58.000 58.000 56.688 1.312 19498 837 1 3 . 1 1 31 31 TRP CB C 31 31.500 31.500 30.114 1.386 19498 838 1 3 . 1 1 31 31 TRP H H 31 8.673 8.673 8.418 0.255 19498 839 1 3 . 1 1 32 32 TYR CA C 32 52.400 52.400 57.170 -4.770 19498 840 1 3 . 1 1 32 32 TYR CB C 32 42.350 42.350 38.828 3.522 19498 841 1 3 . 1 1 33 33 ASP CA C 33 52.400 52.400 54.710 -2.310 19498 842 1 3 . 1 1 33 33 ASP CB C 33 42.350 42.350 40.916 1.433 19498 843 1 3 . 1 1 34 34 ALA N N 34 126.709 126.709 123.548 3.161 19498 844 1 3 . 1 1 34 34 ALA HA H 34 3.845 3.845 3.937 -0.092 19498 845 1 3 . 1 1 34 34 ALA CA C 34 58.599 58.599 52.453 6.146 19498 846 1 3 . 1 1 34 34 ALA CB C 34 18.610 18.610 17.814 0.796 19498 847 1 3 . 1 1 34 34 ALA H H 34 8.424 8.424 8.349 0.075 19498 848 1 3 . 1 1 35 35 TYR N N 35 117.123 117.123 115.470 1.653 19498 849 1 3 . 1 1 35 35 TYR HA H 35 4.350 4.350 4.617 -0.267 19498 850 1 3 . 1 1 35 35 TYR CA C 35 60.466 60.466 57.463 3.003 19498 851 1 3 . 1 1 35 35 TYR CB C 35 38.113 38.113 38.574 -0.461 19498 852 1 3 . 1 1 35 35 TYR H H 35 8.334 8.334 8.021 0.313 19498 853 1 3 . 1 1 36 36 THR N N 36 108.046 108.046 111.793 -3.747 19498 854 1 3 . 1 1 36 36 THR HA H 36 4.018 4.018 4.053 -0.035 19498 855 1 3 . 1 1 36 36 THR CA C 36 61.809 61.809 62.000 -0.191 19498 856 1 3 . 1 1 36 36 THR CB C 36 69.926 69.926 66.765 3.161 19498 857 1 3 . 1 1 36 36 THR H H 36 7.563 7.563 7.970 -0.407 19498 858 1 3 . 1 1 37 37 ARG N N 37 118.456 118.456 116.516 1.940 19498 859 1 3 . 1 1 37 37 ARG CA C 37 57.001 57.001 56.603 0.398 19498 860 1 3 . 1 1 37 37 ARG H H 37 7.952 7.952 8.480 -0.528 19498 861 1 3 . 1 1 40 40 CYS CA C 40 56.316 56.316 57.830 -1.514 19498 862 1 3 . 1 1 40 40 CYS CB C 40 29.999 29.999 31.653 -1.654 19498 863 1 3 . 1 1 41 41 ILE N N 41 121.419 121.419 121.369 0.050 19498 864 1 3 . 1 1 41 41 ILE HA H 41 4.709 4.709 4.596 0.113 19498 865 1 3 . 1 1 41 41 ILE CA C 41 60.462 60.462 61.089 -0.627 19498 866 1 3 . 1 1 41 41 ILE CB C 41 42.309 42.309 42.464 -0.155 19498 867 1 3 . 1 1 41 41 ILE H H 41 8.459 8.459 8.976 -0.517 19498 868 1 3 . 1 1 42 42 ARG N N 42 127.916 127.916 126.685 1.231 19498 869 1 3 . 1 1 42 42 ARG CA C 42 54.501 54.501 54.773 -0.272 19498 870 1 3 . 1 1 42 42 ARG CB C 42 33.204 33.204 34.184 -0.980 19498 871 1 3 . 1 1 42 42 ARG H H 42 9.004 9.004 8.829 0.175 19498 872 1 3 . 1 1 43 43 LEU N N 43 124.715 124.715 126.320 -1.605 19498 873 1 3 . 1 1 43 43 LEU HA H 43 5.538 5.538 4.772 0.766 19498 874 1 3 . 1 1 43 43 LEU CA C 43 53.266 53.266 54.474 -1.208 19498 875 1 3 . 1 1 43 43 LEU CB C 43 46.163 46.163 43.276 2.887 19498 876 1 3 . 1 1 43 43 LEU H H 43 8.757 8.757 9.182 -0.425 19498 877 1 3 . 1 1 44 44 ARG N N 44 123.499 123.499 126.135 -2.636 19498 878 1 3 . 1 1 44 44 ARG HA H 44 5.004 5.004 4.876 0.128 19498 879 1 3 . 1 1 44 44 ARG CA C 44 55.508 55.508 54.945 0.563 19498 880 1 3 . 1 1 44 44 ARG CB C 44 34.543 34.543 33.294 1.249 19498 881 1 3 . 1 1 44 44 ARG H H 44 9.366 9.366 9.230 0.136 19498 882 1 3 . 1 1 45 45 ILE N N 45 122.919 122.919 127.388 -4.469 19498 883 1 3 . 1 1 45 45 ILE HA H 45 5.260 5.260 4.587 0.673 19498 884 1 3 . 1 1 45 45 ILE CA C 45 59.933 59.933 58.773 1.160 19498 885 1 3 . 1 1 45 45 ILE CB C 45 39.751 39.751 39.413 0.338 19498 886 1 3 . 1 1 45 45 ILE H H 45 8.938 8.938 8.999 -0.061 19498 887 1 3 . 1 1 46 46 GLU N N 46 126.745 126.745 125.222 1.523 19498 888 1 3 . 1 1 46 46 GLU HA H 46 5.465 5.465 4.846 0.619 19498 889 1 3 . 1 1 46 46 GLU CA C 46 53.707 53.707 54.205 -0.497 19498 890 1 3 . 1 1 46 46 GLU CB C 46 35.276 35.276 33.612 1.664 19498 891 1 3 . 1 1 46 46 GLU H H 46 9.097 9.097 8.592 0.505 19498 892 1 3 . 1 1 47 47 ASP N N 47 117.988 117.988 120.297 -2.309 19498 893 1 3 . 1 1 47 47 ASP HA H 47 4.976 4.976 4.798 0.178 19498 894 1 3 . 1 1 47 47 ASP CA C 47 52.411 52.411 52.558 -0.147 19498 895 1 3 . 1 1 47 47 ASP CB C 47 41.609 41.609 43.026 -1.417 19498 896 1 3 . 1 1 47 47 ASP H H 47 8.209 8.209 8.764 -0.555 19498 897 1 3 . 1 1 48 48 ARG N N 48 117.098 117.098 123.225 -6.127 19498 898 1 3 . 1 1 48 48 ARG HA H 48 4.129 4.129 4.330 -0.201 19498 899 1 3 . 1 1 48 48 ARG CA C 48 58.323 58.323 58.082 0.241 19498 900 1 3 . 1 1 48 48 ARG CB C 48 29.511 29.511 29.492 0.019 19498 901 1 3 . 1 1 48 48 ARG H H 48 8.872 8.872 8.706 0.166 19498 902 1 3 . 1 1 49 49 SER N N 49 115.006 115.006 112.982 2.024 19498 903 1 3 . 1 1 49 49 SER HA H 49 4.614 4.614 4.619 -0.005 19498 904 1 3 . 1 1 49 49 SER CA C 49 58.411 58.411 57.974 0.437 19498 905 1 3 . 1 1 49 49 SER CB C 49 63.806 63.806 63.819 -0.013 19498 906 1 3 . 1 1 49 49 SER H H 49 8.142 8.142 8.080 0.062 19498 907 1 3 . 1 1 50 50 GLY N N 50 109.042 109.042 110.135 -1.093 19498 908 1 3 . 1 1 50 50 GLY CA C 50 44.997 44.997 45.109 -0.112 19498 909 1 3 . 1 1 50 50 GLY H H 50 8.035 8.035 7.900 0.135 19498 910 1 3 . 1 1 51 51 ASN N N 51 119.842 119.842 119.058 0.784 19498 911 1 3 . 1 1 51 51 ASN HA H 51 4.546 4.546 4.768 -0.222 19498 912 1 3 . 1 1 51 51 ASN CA C 51 53.419 53.419 53.427 -0.008 19498 913 1 3 . 1 1 51 51 ASN CB C 51 38.422 38.422 39.619 -1.197 19498 914 1 3 . 1 1 51 51 ASN H H 51 8.613 8.613 8.108 0.505 19498 915 1 3 . 1 1 52 52 LEU N N 52 124.085 124.085 120.484 3.601 19498 916 1 3 . 1 1 52 52 LEU HA H 52 4.142 4.142 4.568 -0.426 19498 917 1 3 . 1 1 52 52 LEU CA C 52 56.023 56.023 54.198 1.825 19498 918 1 3 . 1 1 52 52 LEU CB C 52 42.353 42.353 44.777 -2.424 19498 919 1 3 . 1 1 52 52 LEU H H 52 8.631 8.631 8.253 0.378 19498 920 1 3 . 1 1 53 53 ILE N N 53 129.362 129.362 123.631 5.731 19498 921 1 3 . 1 1 53 53 ILE HA H 53 4.137 4.137 4.402 -0.265 19498 922 1 3 . 1 1 53 53 ILE CA C 53 61.800 61.800 61.687 0.113 19498 923 1 3 . 1 1 53 53 ILE CB C 53 37.256 37.256 39.088 -1.832 19498 924 1 3 . 1 1 53 53 ILE H H 53 9.432 9.432 8.578 0.854 19498 925 1 3 . 1 1 54 54 ASP N N 54 113.575 113.575 116.335 -2.760 19498 926 1 3 . 1 1 54 54 ASP HA H 54 4.847 4.847 4.931 -0.084 19498 927 1 3 . 1 1 54 54 ASP CA C 54 53.586 53.586 54.239 -0.653 19498 928 1 3 . 1 1 54 54 ASP CB C 54 44.500 44.500 43.990 0.509 19498 929 1 3 . 1 1 54 54 ASP H H 54 7.761 7.761 7.861 -0.100 19498 930 1 3 . 1 1 55 55 THR N N 55 115.783 115.783 116.234 -0.451 19498 931 1 3 . 1 1 55 55 THR HA H 55 5.427 5.427 5.432 -0.005 19498 932 1 3 . 1 1 55 55 THR CA C 55 59.185 59.185 61.130 -1.945 19498 933 1 3 . 1 1 55 55 THR CB C 55 70.551 70.551 70.189 0.362 19498 934 1 3 . 1 1 55 55 THR H H 55 10.106 10.106 8.288 1.818 19498 935 1 3 . 1 1 56 56 SER N N 56 119.808 119.808 120.552 -0.744 19498 936 1 3 . 1 1 56 56 SER HA H 56 4.135 4.135 4.572 -0.437 19498 937 1 3 . 1 1 56 56 SER CA C 56 58.001 58.001 57.915 0.086 19498 938 1 3 . 1 1 56 56 SER CB C 56 65.039 65.039 64.307 0.732 19498 939 1 3 . 1 1 56 56 SER H H 56 7.872 7.872 8.899 -1.027 19498 940 1 3 . 1 1 57 57 THR N N 57 117.962 117.962 120.585 -2.623 19498 941 1 3 . 1 1 57 57 THR HA H 57 4.964 4.964 4.902 0.062 19498 942 1 3 . 1 1 57 57 THR CA C 57 61.001 61.001 61.648 -0.647 19498 943 1 3 . 1 1 57 57 THR CB C 57 70.881 70.881 70.061 0.820 19498 944 1 3 . 1 1 57 57 THR H H 57 7.524 7.524 7.906 -0.382 19498 945 1 3 . 1 1 58 58 PHE N N 58 123.853 123.853 126.462 -2.609 19498 946 1 3 . 1 1 58 58 PHE HA H 58 4.603 4.603 4.774 -0.171 19498 947 1 3 . 1 1 58 58 PHE CA C 58 56.648 56.648 57.177 -0.529 19498 948 1 3 . 1 1 58 58 PHE CB C 58 43.583 43.583 42.427 1.156 19498 949 1 3 . 1 1 58 58 PHE H H 58 8.861 8.861 9.335 -0.474 19498 950 1 3 . 1 1 59 59 TYR N N 59 117.898 117.898 119.825 -1.927 19498 951 1 3 . 1 1 59 59 TYR HA H 59 5.328 5.328 4.971 0.357 19498 952 1 3 . 1 1 59 59 TYR CA C 59 56.221 56.221 56.569 -0.348 19498 953 1 3 . 1 1 59 59 TYR CB C 59 42.106 42.106 40.278 1.828 19498 954 1 3 . 1 1 59 59 TYR H H 59 8.328 8.328 8.422 -0.094 19498 955 1 3 . 1 1 60 60 HIS CA C 60 60.065 60.065 56.441 3.623 19498 956 1 3 . 1 1 60 60 HIS CB C 60 34.284 34.284 32.546 1.738 19498 957 1 3 . 1 1 61 61 HIS N N 61 121.880 121.880 126.713 -4.833 19498 958 1 3 . 1 1 61 61 HIS CA C 61 58.001 58.001 56.539 1.462 19498 959 1 3 . 1 1 61 61 HIS CB C 61 29.999 29.999 28.873 1.126 19498 960 1 3 . 1 1 61 61 HIS H H 61 7.734 7.734 8.350 -0.616 19498 961 1 3 . 1 1 62 62 ASP N N 62 128.148 128.148 126.169 1.979 19498 962 1 3 . 1 1 62 62 ASP HA H 62 4.870 4.870 4.824 0.046 19498 963 1 3 . 1 1 62 62 ASP CA C 62 53.348 53.348 53.913 -0.565 19498 964 1 3 . 1 1 62 62 ASP CB C 62 42.600 42.600 43.861 -1.261 19498 965 1 3 . 1 1 62 62 ASP H H 62 11.492 11.492 8.072 3.420 19498 966 1 3 . 1 1 63 63 GLU N N 63 126.564 126.564 125.237 1.327 19498 967 1 3 . 1 1 63 63 GLU HA H 63 3.795 3.795 3.969 -0.174 19498 968 1 3 . 1 1 63 63 GLU CA C 63 59.863 59.863 59.816 0.046 19498 969 1 3 . 1 1 63 63 GLU CB C 63 34.007 34.007 30.007 4.000 19498 970 1 3 . 1 1 63 63 GLU H H 63 8.982 8.982 8.782 0.200 19498 971 1 3 . 1 1 64 64 ASP N N 64 117.779 117.779 120.242 -2.463 19498 972 1 3 . 1 1 64 64 ASP HA H 64 4.401 4.401 4.494 -0.093 19498 973 1 3 . 1 1 64 64 ASP CA C 64 57.664 57.664 57.670 -0.007 19498 974 1 3 . 1 1 64 64 ASP CB C 64 40.369 40.369 40.704 -0.335 19498 975 1 3 . 1 1 64 64 ASP H H 64 8.272 8.272 7.780 0.492 19498 976 1 3 . 1 1 65 65 VAL N N 65 121.948 121.948 120.409 1.539 19498 977 1 3 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.615 -0.229 19498 978 1 3 . 1 1 65 65 VAL CA C 65 65.913 65.913 66.098 -0.185 19498 979 1 3 . 1 1 65 65 VAL CB C 65 31.465 31.465 31.639 -0.174 19498 980 1 3 . 1 1 65 65 VAL H H 65 7.335 7.335 8.892 -1.557 19498 981 1 3 . 1 1 66 66 LEU N N 66 120.747 120.747 121.218 -0.471 19498 982 1 3 . 1 1 66 66 LEU HA H 66 3.905 3.905 3.905 -0.000 19498 983 1 3 . 1 1 66 66 LEU CA C 66 58.076 58.076 58.147 -0.071 19498 984 1 3 . 1 1 66 66 LEU CB C 66 42.160 42.160 40.887 1.273 19498 985 1 3 . 1 1 66 66 LEU H H 66 8.164 8.164 7.798 0.366 19498 986 1 3 . 1 1 67 67 PHE N N 67 116.553 116.553 117.381 -0.828 19498 987 1 3 . 1 1 67 67 PHE HA H 67 3.900 3.900 4.092 -0.192 19498 988 1 3 . 1 1 67 67 PHE CA C 67 62.849 62.849 62.459 0.390 19498 989 1 3 . 1 1 67 67 PHE CB C 67 38.003 38.003 38.102 -0.099 19498 990 1 3 . 1 1 67 67 PHE H H 67 8.350 8.350 7.633 0.717 19498 991 1 3 . 1 1 68 68 ASN N N 68 121.020 121.020 118.488 2.532 19498 992 1 3 . 1 1 68 68 ASN HA H 68 4.415 4.415 4.439 -0.024 19498 993 1 3 . 1 1 68 68 ASN CA C 68 56.725 56.725 56.470 0.255 19498 994 1 3 . 1 1 68 68 ASN CB C 68 38.071 38.071 38.607 -0.536 19498 995 1 3 . 1 1 68 68 ASN H H 68 8.001 8.001 7.764 0.237 19498 996 1 3 . 1 1 69 69 MET N N 69 120.402 120.402 118.994 1.408 19498 997 1 3 . 1 1 69 69 MET HA H 69 4.011 4.011 3.956 0.055 19498 998 1 3 . 1 1 69 69 MET CA C 69 59.605 59.605 59.533 0.072 19498 999 1 3 . 1 1 69 69 MET CB C 69 31.867 31.867 32.380 -0.513 19498 1000 1 3 . 1 1 69 69 MET H H 69 8.465 8.465 8.039 0.426 19498 1001 1 3 . 1 1 70 70 CYS N N 70 117.496 117.496 117.068 0.428 19498 1002 1 3 . 1 1 70 70 CYS CA C 70 63.145 63.145 63.697 -0.552 19498 1003 1 3 . 1 1 70 70 CYS CB C 70 27.510 27.510 27.267 0.243 19498 1004 1 3 . 1 1 70 70 CYS H H 70 7.616 7.616 7.757 -0.141 19498 1005 1 3 . 1 1 71 71 THR N N 71 118.640 118.640 114.772 3.868 19498 1006 1 3 . 1 1 71 71 THR HA H 71 4.270 4.270 4.197 0.073 19498 1007 1 3 . 1 1 71 71 THR CA C 71 67.980 67.980 65.641 2.339 19498 1008 1 3 . 1 1 71 71 THR CB C 71 67.949 67.949 68.699 -0.750 19498 1009 1 3 . 1 1 71 71 THR H H 71 8.509 8.509 8.253 0.256 19498 1010 1 3 . 1 1 72 72 ASP HA H 72 4.430 4.430 4.491 -0.061 19498 1011 1 3 . 1 1 72 72 ASP CA C 72 57.590 57.590 57.745 -0.155 19498 1012 1 3 . 1 1 72 72 ASP CB C 72 40.415 40.415 40.766 -0.351 19498 1013 1 3 . 1 1 73 73 TRP N N 73 121.657 121.657 121.149 0.508 19498 1014 1 3 . 1 1 73 73 TRP HA H 73 4.407 4.407 4.354 0.053 19498 1015 1 3 . 1 1 73 73 TRP CA C 73 62.951 62.951 61.688 1.263 19498 1016 1 3 . 1 1 73 73 TRP CB C 73 29.114 29.114 29.720 -0.606 19498 1017 1 3 . 1 1 73 73 TRP H H 73 7.780 7.780 7.621 0.159 19498 1018 1 3 . 1 1 74 74 LEU N N 74 118.727 118.727 117.175 1.552 19498 1019 1 3 . 1 1 74 74 LEU HA H 74 3.582 3.582 3.729 -0.147 19498 1020 1 3 . 1 1 74 74 LEU CA C 74 58.184 58.184 57.715 0.469 19498 1021 1 3 . 1 1 74 74 LEU CB C 74 37.610 37.610 41.469 -3.859 19498 1022 1 3 . 1 1 74 74 LEU H H 74 8.490 8.490 7.594 0.896 19498 1023 1 3 . 1 1 75 75 ASN N N 75 117.962 117.962 117.254 0.708 19498 1024 1 3 . 1 1 75 75 ASN HA H 75 4.527 4.527 4.768 -0.241 19498 1025 1 3 . 1 1 75 75 ASN CA C 75 56.501 56.501 55.832 0.669 19498 1026 1 3 . 1 1 75 75 ASN CB C 75 37.999 37.999 38.075 -0.076 19498 1027 1 3 . 1 1 75 75 ASN H H 75 8.639 8.639 8.004 0.635 19498 1028 1 3 . 1 1 76 76 HIS N N 76 120.823 120.823 118.403 2.420 19498 1029 1 3 . 1 1 76 76 HIS HA H 76 4.450 4.450 4.345 0.105 19498 1030 1 3 . 1 1 76 76 HIS CA C 76 58.737 58.737 58.953 -0.216 19498 1031 1 3 . 1 1 76 76 HIS CB C 76 28.007 28.007 29.519 -1.512 19498 1032 1 3 . 1 1 76 76 HIS H H 76 8.158 8.158 7.742 0.416 19498 1033 1 3 . 1 1 77 77 MET N N 77 118.749 118.749 116.377 2.372 19498 1034 1 3 . 1 1 77 77 MET HA H 77 4.071 4.071 3.656 0.415 19498 1035 1 3 . 1 1 77 77 MET CA C 77 55.827 55.827 57.228 -1.401 19498 1036 1 3 . 1 1 77 77 MET CB C 77 29.541 29.541 31.703 -2.162 19498 1037 1 3 . 1 1 77 77 MET H H 77 8.404 8.404 6.985 1.419 19498 1038 1 3 . 1 1 78 78 TYR N N 78 120.762 120.762 119.978 0.784 19498 1039 1 3 . 1 1 78 78 TYR HA H 78 3.662 3.662 3.946 -0.284 19498 1040 1 3 . 1 1 78 78 TYR CA C 78 62.640 62.640 62.097 0.543 19498 1041 1 3 . 1 1 78 78 TYR CB C 78 37.545 37.545 37.767 -0.222 19498 1042 1 3 . 1 1 78 78 TYR H H 78 8.322 8.322 7.441 0.881 19498 1043 1 3 . 1 1 79 79 ASP N N 79 116.578 116.578 117.006 -0.428 19498 1044 1 3 . 1 1 79 79 ASP HA H 79 4.106 4.106 4.400 -0.294 19498 1045 1 3 . 1 1 79 79 ASP CA C 79 57.410 57.410 57.260 0.150 19498 1046 1 3 . 1 1 79 79 ASP CB C 79 40.503 40.503 40.897 -0.394 19498 1047 1 3 . 1 1 79 79 ASP H H 79 7.460 7.460 8.194 -0.734 19498 1048 1 3 . 1 1 80 80 GLN N N 80 116.175 116.175 118.645 -2.470 19498 1049 1 3 . 1 1 80 80 GLN HA H 80 4.056 4.056 4.009 0.047 19498 1050 1 3 . 1 1 80 80 GLN CA C 80 57.629 57.629 58.625 -0.996 19498 1051 1 3 . 1 1 80 80 GLN CB C 80 29.662 29.662 28.335 1.327 19498 1052 1 3 . 1 1 80 80 GLN H H 80 7.552 7.552 7.870 -0.318 19498 1053 1 3 . 1 1 81 81 LEU N N 81 118.398 118.398 119.859 -1.461 19498 1054 1 3 . 1 1 81 81 LEU HA H 81 4.233 4.233 4.090 0.143 19498 1055 1 3 . 1 1 81 81 LEU CA C 81 55.461 55.461 57.595 -2.134 19498 1056 1 3 . 1 1 81 81 LEU CB C 81 42.406 42.406 41.632 0.774 19498 1057 1 3 . 1 1 81 81 LEU H H 81 7.957 7.957 7.595 0.362 19498 1058 1 3 . 1 1 82 82 LYS N N 82 119.114 119.114 118.429 0.685 19498 1059 1 3 . 1 1 82 82 LYS HA H 82 3.841 3.841 4.000 -0.159 19498 1060 1 3 . 1 1 82 82 LYS CA C 82 58.510 58.510 59.359 -0.849 19498 1061 1 3 . 1 1 82 82 LYS CB C 82 30.922 30.922 31.913 -0.991 19498 1062 1 3 . 1 1 82 82 LYS H H 82 7.664 7.664 7.775 -0.111 19498 1063 1 3 . 1 1 83 83 ASP N N 83 118.655 118.655 119.401 -0.746 19498 1064 1 3 . 1 1 83 83 ASP HA H 83 4.819 4.819 4.503 0.316 19498 1065 1 3 . 1 1 83 83 ASP CA C 83 53.886 53.886 56.767 -2.881 19498 1066 1 3 . 1 1 83 83 ASP CB C 83 40.986 40.986 41.510 -0.524 19498 1067 1 3 . 1 1 83 83 ASP H H 83 7.862 7.862 7.924 -0.062 19498 1068 1 3 . 1 1 84 84 TRP N N 84 121.757 121.757 120.762 0.995 19498 1069 1 3 . 1 1 84 84 TRP CA C 84 58.462 58.462 55.808 2.654 19498 1070 1 3 . 1 1 84 84 TRP CB C 84 28.934 28.934 30.011 -1.077 19498 1071 1 3 . 1 1 84 84 TRP H H 84 7.925 7.925 7.758 0.167 19498 1072 1 4 . 1 1 6 6 SER CA C 6 56.008 56.008 58.040 -2.032 19498 1073 1 4 . 1 1 7 7 GLY N N 7 109.496 109.496 109.007 0.489 19498 1074 1 4 . 1 1 7 7 GLY CA C 7 46.042 46.042 44.633 1.409 19498 1075 1 4 . 1 1 7 7 GLY H H 7 8.432 8.432 8.444 -0.012 19498 1076 1 4 . 1 1 8 8 ASN N N 8 119.432 119.432 119.638 -0.206 19498 1077 1 4 . 1 1 8 8 ASN HA H 8 4.685 4.685 4.612 0.073 19498 1078 1 4 . 1 1 8 8 ASN CA C 8 53.922 53.922 53.806 0.116 19498 1079 1 4 . 1 1 8 8 ASN CB C 8 37.970 37.970 37.822 0.149 19498 1080 1 4 . 1 1 8 8 ASN H H 8 8.367 8.367 8.284 0.083 19498 1081 1 4 . 1 1 9 9 LEU N N 9 123.537 123.537 122.863 0.674 19498 1082 1 4 . 1 1 9 9 LEU HA H 9 3.984 3.984 4.110 -0.126 19498 1083 1 4 . 1 1 9 9 LEU CA C 9 56.417 56.417 56.997 -0.580 19498 1084 1 4 . 1 1 9 9 LEU CB C 9 41.566 41.566 41.409 0.157 19498 1085 1 4 . 1 1 9 9 LEU H H 9 7.922 7.922 8.336 -0.414 19498 1086 1 4 . 1 1 10 10 ALA N N 10 122.287 122.287 122.027 0.260 19498 1087 1 4 . 1 1 10 10 ALA HA H 10 4.127 4.127 3.937 0.190 19498 1088 1 4 . 1 1 10 10 ALA CA C 10 55.912 55.912 55.031 0.881 19498 1089 1 4 . 1 1 10 10 ALA CB C 10 17.998 17.998 17.857 0.141 19498 1090 1 4 . 1 1 10 10 ALA H H 10 8.064 8.064 8.285 -0.221 19498 1091 1 4 . 1 1 11 11 ALA N N 11 121.326 121.326 120.969 0.357 19498 1092 1 4 . 1 1 11 11 ALA HA H 11 4.207 4.207 4.065 0.142 19498 1093 1 4 . 1 1 11 11 ALA CA C 11 54.960 54.960 54.301 0.659 19498 1094 1 4 . 1 1 11 11 ALA CB C 11 17.998 17.998 18.427 -0.429 19498 1095 1 4 . 1 1 11 11 ALA H H 11 8.143 8.143 7.567 0.576 19498 1096 1 4 . 1 1 12 12 PHE N N 12 122.913 122.913 119.745 3.168 19498 1097 1 4 . 1 1 12 12 PHE HA H 12 4.411 4.411 4.069 0.342 19498 1098 1 4 . 1 1 12 12 PHE CA C 12 61.007 61.007 61.150 -0.143 19498 1099 1 4 . 1 1 12 12 PHE CB C 12 39.499 39.499 39.104 0.395 19498 1100 1 4 . 1 1 12 12 PHE H H 12 7.779 7.779 7.658 0.121 19498 1101 1 4 . 1 1 13 13 LYS N N 13 120.689 120.689 118.788 1.901 19498 1102 1 4 . 1 1 13 13 LYS HA H 13 3.861 3.861 3.917 -0.056 19498 1103 1 4 . 1 1 13 13 LYS CA C 13 59.099 59.099 59.235 -0.136 19498 1104 1 4 . 1 1 13 13 LYS CB C 13 31.867 31.867 32.261 -0.394 19498 1105 1 4 . 1 1 13 13 LYS H H 13 8.614 8.614 8.747 -0.133 19498 1106 1 4 . 1 1 14 14 ALA N N 14 122.076 122.076 120.982 1.094 19498 1107 1 4 . 1 1 14 14 ALA HA H 14 3.182 3.182 4.102 -0.920 19498 1108 1 4 . 1 1 14 14 ALA CA C 14 55.108 55.108 54.526 0.582 19498 1109 1 4 . 1 1 14 14 ALA CB C 14 18.120 18.120 18.057 0.063 19498 1110 1 4 . 1 1 14 14 ALA H H 14 8.178 8.178 7.643 0.535 19498 1111 1 4 . 1 1 15 15 ALA N N 15 121.714 121.714 119.939 1.775 19498 1112 1 4 . 1 1 15 15 ALA HA H 15 4.040 4.040 4.000 0.040 19498 1113 1 4 . 1 1 15 15 ALA CA C 15 55.158 55.158 54.426 0.732 19498 1114 1 4 . 1 1 15 15 ALA CB C 15 19.042 19.042 18.284 0.758 19498 1115 1 4 . 1 1 15 15 ALA H H 15 7.793 7.793 7.483 0.310 19498 1116 1 4 . 1 1 16 16 THR N N 16 111.959 111.959 114.759 -2.800 19498 1117 1 4 . 1 1 16 16 THR HA H 16 3.705 3.705 3.860 -0.155 19498 1118 1 4 . 1 1 16 16 THR CA C 16 66.762 66.762 67.384 -0.622 19498 1119 1 4 . 1 1 16 16 THR CB C 16 68.213 68.213 68.504 -0.291 19498 1120 1 4 . 1 1 16 16 THR H H 16 8.133 8.133 7.934 0.199 19498 1121 1 4 . 1 1 17 17 ASN N N 17 121.090 121.090 118.210 2.880 19498 1122 1 4 . 1 1 17 17 ASN HA H 17 4.520 4.520 4.576 -0.056 19498 1123 1 4 . 1 1 17 17 ASN CA C 17 56.191 56.191 55.758 0.433 19498 1124 1 4 . 1 1 17 17 ASN CB C 17 38.365 38.365 38.299 0.066 19498 1125 1 4 . 1 1 17 17 ASN H H 17 8.152 8.152 8.317 -0.165 19498 1126 1 4 . 1 1 18 18 LYS N N 18 119.978 119.978 119.741 0.237 19498 1127 1 4 . 1 1 18 18 LYS HA H 18 3.914 3.914 4.122 -0.208 19498 1128 1 4 . 1 1 18 18 LYS CA C 18 59.865 59.865 58.978 0.887 19498 1129 1 4 . 1 1 18 18 LYS CB C 18 30.999 30.999 32.402 -1.403 19498 1130 1 4 . 1 1 18 18 LYS H H 18 7.568 7.568 7.469 0.099 19498 1131 1 4 . 1 1 19 19 LEU N N 19 117.558 117.558 118.834 -1.276 19498 1132 1 4 . 1 1 19 19 LEU HA H 19 4.135 4.135 4.148 -0.013 19498 1133 1 4 . 1 1 19 19 LEU CA C 19 58.001 58.001 57.761 0.240 19498 1134 1 4 . 1 1 19 19 LEU CB C 19 40.823 40.823 42.116 -1.293 19498 1135 1 4 . 1 1 19 19 LEU H H 19 7.001 7.001 7.841 -0.840 19498 1136 1 4 . 1 1 20 20 PHE N N 20 121.123 121.123 120.653 0.470 19498 1137 1 4 . 1 1 20 20 PHE HA H 20 4.873 4.873 4.245 0.628 19498 1138 1 4 . 1 1 20 20 PHE CA C 20 60.375 60.375 60.881 -0.506 19498 1139 1 4 . 1 1 20 20 PHE CB C 20 38.480 38.480 39.176 -0.696 19498 1140 1 4 . 1 1 20 20 PHE H H 20 8.193 8.193 8.066 0.127 19498 1141 1 4 . 1 1 21 21 GLN N N 21 118.591 118.591 117.297 1.294 19498 1142 1 4 . 1 1 21 21 GLN HA H 21 4.208 4.208 3.990 0.218 19498 1143 1 4 . 1 1 21 21 GLN CA C 21 58.055 58.055 58.136 -0.081 19498 1144 1 4 . 1 1 21 21 GLN CB C 21 28.284 28.284 28.784 -0.499 19498 1145 1 4 . 1 1 21 21 GLN H H 21 7.918 7.918 7.976 -0.058 19498 1146 1 4 . 1 1 22 22 LEU N N 22 118.477 118.477 118.797 -0.320 19498 1147 1 4 . 1 1 22 22 LEU HA H 22 4.534 4.534 4.469 0.065 19498 1148 1 4 . 1 1 22 22 LEU CA C 22 54.033 54.033 54.624 -0.591 19498 1149 1 4 . 1 1 22 22 LEU CB C 22 41.469 41.469 43.287 -1.818 19498 1150 1 4 . 1 1 22 22 LEU H H 22 7.561 7.561 7.447 0.114 19498 1151 1 4 . 1 1 23 23 ASP N N 23 115.410 115.410 117.699 -2.289 19498 1152 1 4 . 1 1 23 23 ASP HA H 23 4.280 4.280 4.076 0.204 19498 1153 1 4 . 1 1 23 23 ASP CA C 23 55.494 55.494 55.408 0.086 19498 1154 1 4 . 1 1 23 23 ASP CB C 23 39.317 39.317 38.555 0.762 19498 1155 1 4 . 1 1 23 23 ASP H H 23 8.163 8.163 7.769 0.394 19498 1156 1 4 . 1 1 24 24 LEU N N 24 116.367 116.367 114.751 1.616 19498 1157 1 4 . 1 1 24 24 LEU HA H 24 4.790 4.790 4.816 -0.026 19498 1158 1 4 . 1 1 24 24 LEU CA C 24 53.030 53.030 53.186 -0.156 19498 1159 1 4 . 1 1 24 24 LEU CB C 24 43.867 43.867 43.656 0.211 19498 1160 1 4 . 1 1 24 24 LEU H H 24 7.136 7.136 7.338 -0.202 19498 1161 1 4 . 1 1 25 25 ALA N N 25 123.243 123.243 121.825 1.418 19498 1162 1 4 . 1 1 25 25 ALA HA H 25 4.480 4.480 4.964 -0.484 19498 1163 1 4 . 1 1 25 25 ALA CA C 25 50.890 50.890 51.270 -0.380 19498 1164 1 4 . 1 1 25 25 ALA CB C 25 21.655 21.655 20.824 0.831 19498 1165 1 4 . 1 1 25 25 ALA H H 25 8.931 8.931 8.454 0.477 19498 1166 1 4 . 1 1 26 26 VAL N N 26 119.587 119.587 120.172 -0.585 19498 1167 1 4 . 1 1 26 26 VAL HA H 26 4.889 4.889 4.682 0.207 19498 1168 1 4 . 1 1 26 26 VAL CA C 26 61.278 61.278 61.400 -0.122 19498 1169 1 4 . 1 1 26 26 VAL CB C 26 33.310 33.310 34.223 -0.913 19498 1170 1 4 . 1 1 26 26 VAL H H 26 7.575 7.575 8.336 -0.761 19498 1171 1 4 . 1 1 27 27 ILE N N 27 130.377 130.377 123.557 6.820 19498 1172 1 4 . 1 1 27 27 ILE HA H 27 4.489 4.489 4.710 -0.221 19498 1173 1 4 . 1 1 27 27 ILE CA C 27 60.177 60.177 60.519 -0.342 19498 1174 1 4 . 1 1 27 27 ILE CB C 27 40.019 40.019 40.598 -0.579 19498 1175 1 4 . 1 1 27 27 ILE H H 27 9.437 9.437 8.701 0.736 19498 1176 1 4 . 1 1 28 28 TYR N N 28 126.844 126.844 122.224 4.620 19498 1177 1 4 . 1 1 28 28 TYR HA H 28 5.709 5.709 5.792 -0.083 19498 1178 1 4 . 1 1 28 28 TYR CA C 28 55.486 55.486 55.499 -0.013 19498 1179 1 4 . 1 1 28 28 TYR CB C 28 42.019 42.019 41.339 0.680 19498 1180 1 4 . 1 1 28 28 TYR H H 28 8.531 8.531 7.952 0.579 19498 1181 1 4 . 1 1 29 29 ASP N N 29 122.875 122.875 121.342 1.533 19498 1182 1 4 . 1 1 29 29 ASP HA H 29 4.966 4.966 4.859 0.107 19498 1183 1 4 . 1 1 29 29 ASP CA C 29 53.659 53.659 54.108 -0.449 19498 1184 1 4 . 1 1 29 29 ASP CB C 29 44.660 44.660 45.496 -0.836 19498 1185 1 4 . 1 1 29 29 ASP H H 29 8.614 8.614 8.494 0.120 19498 1186 1 4 . 1 1 30 30 ASP N N 30 119.325 119.325 121.399 -2.074 19498 1187 1 4 . 1 1 30 30 ASP HA H 30 5.447 5.447 4.878 0.569 19498 1188 1 4 . 1 1 30 30 ASP CA C 30 53.501 53.501 54.097 -0.596 19498 1189 1 4 . 1 1 30 30 ASP CB C 30 43.921 43.921 42.401 1.520 19498 1190 1 4 . 1 1 30 30 ASP H H 30 8.607 8.607 8.281 0.326 19498 1191 1 4 . 1 1 31 31 TRP N N 31 120.552 120.552 126.820 -6.268 19498 1192 1 4 . 1 1 31 31 TRP HA H 31 4.615 4.615 4.986 -0.371 19498 1193 1 4 . 1 1 31 31 TRP CA C 31 58.000 58.000 56.655 1.345 19498 1194 1 4 . 1 1 31 31 TRP CB C 31 31.500 31.500 30.673 0.827 19498 1195 1 4 . 1 1 31 31 TRP H H 31 8.673 8.673 8.655 0.018 19498 1196 1 4 . 1 1 32 32 TYR CA C 32 52.400 52.400 56.644 -4.244 19498 1197 1 4 . 1 1 32 32 TYR CB C 32 42.350 42.350 39.280 3.070 19498 1198 1 4 . 1 1 33 33 ASP CA C 33 52.400 52.400 55.117 -2.717 19498 1199 1 4 . 1 1 33 33 ASP CB C 33 42.350 42.350 41.099 1.251 19498 1200 1 4 . 1 1 34 34 ALA N N 34 126.709 126.709 119.553 7.156 19498 1201 1 4 . 1 1 34 34 ALA HA H 34 3.845 3.845 4.580 -0.735 19498 1202 1 4 . 1 1 34 34 ALA CA C 34 58.599 58.599 51.368 7.231 19498 1203 1 4 . 1 1 34 34 ALA CB C 34 18.610 18.610 20.822 -2.212 19498 1204 1 4 . 1 1 34 34 ALA H H 34 8.424 8.424 7.436 0.988 19498 1205 1 4 . 1 1 35 35 TYR N N 35 117.123 117.123 116.816 0.307 19498 1206 1 4 . 1 1 35 35 TYR HA H 35 4.350 4.350 4.761 -0.411 19498 1207 1 4 . 1 1 35 35 TYR CA C 35 60.466 60.466 58.424 2.042 19498 1208 1 4 . 1 1 35 35 TYR CB C 35 38.113 38.113 38.825 -0.712 19498 1209 1 4 . 1 1 35 35 TYR H H 35 8.334 8.334 8.249 0.085 19498 1210 1 4 . 1 1 36 36 THR N N 36 108.046 108.046 111.636 -3.590 19498 1211 1 4 . 1 1 36 36 THR HA H 36 4.018 4.018 4.335 -0.317 19498 1212 1 4 . 1 1 36 36 THR CA C 36 61.809 61.809 62.176 -0.367 19498 1213 1 4 . 1 1 36 36 THR CB C 36 69.926 69.926 68.652 1.274 19498 1214 1 4 . 1 1 36 36 THR H H 36 7.563 7.563 7.802 -0.239 19498 1215 1 4 . 1 1 37 37 ARG N N 37 118.456 118.456 122.081 -3.625 19498 1216 1 4 . 1 1 37 37 ARG CA C 37 57.001 57.001 55.269 1.732 19498 1217 1 4 . 1 1 37 37 ARG H H 37 7.952 7.952 7.521 0.431 19498 1218 1 4 . 1 1 40 40 CYS CA C 40 56.316 56.316 56.872 -0.556 19498 1219 1 4 . 1 1 40 40 CYS CB C 40 29.999 29.999 31.488 -1.489 19498 1220 1 4 . 1 1 41 41 ILE N N 41 121.419 121.419 122.766 -1.347 19498 1221 1 4 . 1 1 41 41 ILE HA H 41 4.709 4.709 4.391 0.318 19498 1222 1 4 . 1 1 41 41 ILE CA C 41 60.462 60.462 60.890 -0.428 19498 1223 1 4 . 1 1 41 41 ILE CB C 41 42.309 42.309 41.056 1.253 19498 1224 1 4 . 1 1 41 41 ILE H H 41 8.459 8.459 8.351 0.108 19498 1225 1 4 . 1 1 42 42 ARG N N 42 127.916 127.916 126.634 1.282 19498 1226 1 4 . 1 1 42 42 ARG CA C 42 54.501 54.501 54.845 -0.344 19498 1227 1 4 . 1 1 42 42 ARG CB C 42 33.204 33.204 32.935 0.269 19498 1228 1 4 . 1 1 42 42 ARG H H 42 9.004 9.004 8.556 0.448 19498 1229 1 4 . 1 1 43 43 LEU N N 43 124.715 124.715 125.472 -0.757 19498 1230 1 4 . 1 1 43 43 LEU HA H 43 5.538 5.538 4.854 0.684 19498 1231 1 4 . 1 1 43 43 LEU CA C 43 53.266 53.266 54.065 -0.799 19498 1232 1 4 . 1 1 43 43 LEU CB C 43 46.163 46.163 45.390 0.773 19498 1233 1 4 . 1 1 43 43 LEU H H 43 8.757 8.757 9.052 -0.295 19498 1234 1 4 . 1 1 44 44 ARG N N 44 123.499 123.499 127.460 -3.961 19498 1235 1 4 . 1 1 44 44 ARG HA H 44 5.004 5.004 4.886 0.118 19498 1236 1 4 . 1 1 44 44 ARG CA C 44 55.508 55.508 54.689 0.819 19498 1237 1 4 . 1 1 44 44 ARG CB C 44 34.543 34.543 33.660 0.883 19498 1238 1 4 . 1 1 44 44 ARG H H 44 9.366 9.366 9.320 0.046 19498 1239 1 4 . 1 1 45 45 ILE N N 45 122.919 122.919 126.445 -3.526 19498 1240 1 4 . 1 1 45 45 ILE HA H 45 5.260 5.260 4.721 0.539 19498 1241 1 4 . 1 1 45 45 ILE CA C 45 59.933 59.933 59.117 0.816 19498 1242 1 4 . 1 1 45 45 ILE CB C 45 39.751 39.751 39.512 0.239 19498 1243 1 4 . 1 1 45 45 ILE H H 45 8.938 8.938 8.797 0.141 19498 1244 1 4 . 1 1 46 46 GLU N N 46 126.745 126.745 124.682 2.063 19498 1245 1 4 . 1 1 46 46 GLU HA H 46 5.465 5.465 4.901 0.564 19498 1246 1 4 . 1 1 46 46 GLU CA C 46 53.707 53.707 55.109 -1.402 19498 1247 1 4 . 1 1 46 46 GLU CB C 46 35.276 35.276 34.418 0.858 19498 1248 1 4 . 1 1 46 46 GLU H H 46 9.097 9.097 8.426 0.671 19498 1249 1 4 . 1 1 47 47 ASP N N 47 117.988 117.988 120.927 -2.939 19498 1250 1 4 . 1 1 47 47 ASP HA H 47 4.976 4.976 4.552 0.424 19498 1251 1 4 . 1 1 47 47 ASP CA C 47 52.411 52.411 54.492 -2.081 19498 1252 1 4 . 1 1 47 47 ASP CB C 47 41.609 41.609 41.920 -0.311 19498 1253 1 4 . 1 1 47 47 ASP H H 47 8.209 8.209 8.784 -0.575 19498 1254 1 4 . 1 1 48 48 ARG N N 48 117.098 117.098 119.217 -2.119 19498 1255 1 4 . 1 1 48 48 ARG HA H 48 4.129 4.129 4.366 -0.237 19498 1256 1 4 . 1 1 48 48 ARG CA C 48 58.323 58.323 57.535 0.788 19498 1257 1 4 . 1 1 48 48 ARG CB C 48 29.511 29.511 30.545 -1.034 19498 1258 1 4 . 1 1 48 48 ARG H H 48 8.872 8.872 8.528 0.344 19498 1259 1 4 . 1 1 49 49 SER N N 49 115.006 115.006 114.649 0.357 19498 1260 1 4 . 1 1 49 49 SER HA H 49 4.614 4.614 4.517 0.097 19498 1261 1 4 . 1 1 49 49 SER CA C 49 58.411 58.411 59.566 -1.155 19498 1262 1 4 . 1 1 49 49 SER CB C 49 63.806 63.806 64.182 -0.376 19498 1263 1 4 . 1 1 49 49 SER H H 49 8.142 8.142 8.525 -0.383 19498 1264 1 4 . 1 1 50 50 GLY N N 50 109.042 109.042 109.405 -0.363 19498 1265 1 4 . 1 1 50 50 GLY CA C 50 44.997 44.997 45.443 -0.445 19498 1266 1 4 . 1 1 50 50 GLY H H 50 8.035 8.035 8.088 -0.053 19498 1267 1 4 . 1 1 51 51 ASN N N 51 119.842 119.842 120.616 -0.774 19498 1268 1 4 . 1 1 51 51 ASN HA H 51 4.546 4.546 4.926 -0.380 19498 1269 1 4 . 1 1 51 51 ASN CA C 51 53.419 53.419 53.217 0.202 19498 1270 1 4 . 1 1 51 51 ASN CB C 51 38.422 38.422 40.538 -2.116 19498 1271 1 4 . 1 1 51 51 ASN H H 51 8.613 8.613 8.129 0.484 19498 1272 1 4 . 1 1 52 52 LEU N N 52 124.085 124.085 121.839 2.246 19498 1273 1 4 . 1 1 52 52 LEU HA H 52 4.142 4.142 4.567 -0.425 19498 1274 1 4 . 1 1 52 52 LEU CA C 52 56.023 56.023 55.655 0.368 19498 1275 1 4 . 1 1 52 52 LEU CB C 52 42.353 42.353 42.583 -0.230 19498 1276 1 4 . 1 1 52 52 LEU H H 52 8.631 8.631 8.560 0.071 19498 1277 1 4 . 1 1 53 53 ILE N N 53 129.362 129.362 122.241 7.121 19498 1278 1 4 . 1 1 53 53 ILE HA H 53 4.137 4.137 4.337 -0.200 19498 1279 1 4 . 1 1 53 53 ILE CA C 53 61.800 61.800 61.160 0.640 19498 1280 1 4 . 1 1 53 53 ILE CB C 53 37.256 37.256 38.957 -1.701 19498 1281 1 4 . 1 1 53 53 ILE H H 53 9.432 9.432 8.488 0.944 19498 1282 1 4 . 1 1 54 54 ASP N N 54 113.575 113.575 117.361 -3.786 19498 1283 1 4 . 1 1 54 54 ASP HA H 54 4.847 4.847 4.984 -0.137 19498 1284 1 4 . 1 1 54 54 ASP CA C 54 53.586 53.586 54.378 -0.792 19498 1285 1 4 . 1 1 54 54 ASP CB C 54 44.500 44.500 44.112 0.388 19498 1286 1 4 . 1 1 54 54 ASP H H 54 7.761 7.761 8.073 -0.312 19498 1287 1 4 . 1 1 55 55 THR N N 55 115.783 115.783 114.288 1.495 19498 1288 1 4 . 1 1 55 55 THR HA H 55 5.427 5.427 4.869 0.558 19498 1289 1 4 . 1 1 55 55 THR CA C 55 59.185 59.185 61.149 -1.964 19498 1290 1 4 . 1 1 55 55 THR CB C 55 70.551 70.551 71.597 -1.046 19498 1291 1 4 . 1 1 55 55 THR H H 55 10.106 10.106 8.361 1.745 19498 1292 1 4 . 1 1 56 56 SER N N 56 119.808 119.808 119.599 0.209 19498 1293 1 4 . 1 1 56 56 SER HA H 56 4.135 4.135 4.578 -0.443 19498 1294 1 4 . 1 1 56 56 SER CA C 56 58.001 58.001 56.558 1.443 19498 1295 1 4 . 1 1 56 56 SER CB C 56 65.039 65.039 64.259 0.780 19498 1296 1 4 . 1 1 56 56 SER H H 56 7.872 7.872 8.820 -0.948 19498 1297 1 4 . 1 1 57 57 THR N N 57 117.962 117.962 122.141 -4.179 19498 1298 1 4 . 1 1 57 57 THR HA H 57 4.964 4.964 4.510 0.454 19498 1299 1 4 . 1 1 57 57 THR CA C 57 61.001 61.001 62.008 -1.007 19498 1300 1 4 . 1 1 57 57 THR CB C 57 70.881 70.881 70.170 0.711 19498 1301 1 4 . 1 1 57 57 THR H H 57 7.524 7.524 8.317 -0.793 19498 1302 1 4 . 1 1 58 58 PHE N N 58 123.853 123.853 128.121 -4.268 19498 1303 1 4 . 1 1 58 58 PHE HA H 58 4.603 4.603 4.678 -0.075 19498 1304 1 4 . 1 1 58 58 PHE CA C 58 56.648 56.648 57.398 -0.750 19498 1305 1 4 . 1 1 58 58 PHE CB C 58 43.583 43.583 39.815 3.768 19498 1306 1 4 . 1 1 58 58 PHE H H 58 8.861 8.861 9.262 -0.401 19498 1307 1 4 . 1 1 59 59 TYR N N 59 117.898 117.898 121.844 -3.946 19498 1308 1 4 . 1 1 59 59 TYR HA H 59 5.328 5.328 5.021 0.307 19498 1309 1 4 . 1 1 59 59 TYR CA C 59 56.221 56.221 57.663 -1.442 19498 1310 1 4 . 1 1 59 59 TYR CB C 59 42.106 42.106 39.311 2.795 19498 1311 1 4 . 1 1 59 59 TYR H H 59 8.328 8.328 8.584 -0.256 19498 1312 1 4 . 1 1 60 60 HIS CA C 60 60.065 60.065 56.861 3.204 19498 1313 1 4 . 1 1 60 60 HIS CB C 60 34.284 34.284 30.220 4.064 19498 1314 1 4 . 1 1 61 61 HIS N N 61 121.880 121.880 120.007 1.873 19498 1315 1 4 . 1 1 61 61 HIS CA C 61 58.001 58.001 54.839 3.162 19498 1316 1 4 . 1 1 61 61 HIS CB C 61 29.999 29.999 32.025 -2.026 19498 1317 1 4 . 1 1 61 61 HIS H H 61 7.734 7.734 8.322 -0.588 19498 1318 1 4 . 1 1 62 62 ASP N N 62 128.148 128.148 120.478 7.670 19498 1319 1 4 . 1 1 62 62 ASP HA H 62 4.870 4.870 4.363 0.507 19498 1320 1 4 . 1 1 62 62 ASP CA C 62 53.348 53.348 54.580 -1.232 19498 1321 1 4 . 1 1 62 62 ASP CB C 62 42.600 42.600 42.076 0.524 19498 1322 1 4 . 1 1 62 62 ASP H H 62 11.492 11.492 7.936 3.556 19498 1323 1 4 . 1 1 63 63 GLU N N 63 126.564 126.564 120.347 6.217 19498 1324 1 4 . 1 1 63 63 GLU HA H 63 3.795 3.795 3.870 -0.075 19498 1325 1 4 . 1 1 63 63 GLU CA C 63 59.863 59.863 59.017 0.846 19498 1326 1 4 . 1 1 63 63 GLU CB C 63 34.007 34.007 29.570 4.437 19498 1327 1 4 . 1 1 63 63 GLU H H 63 8.982 8.982 8.733 0.249 19498 1328 1 4 . 1 1 64 64 ASP N N 64 117.779 117.779 120.684 -2.905 19498 1329 1 4 . 1 1 64 64 ASP HA H 64 4.401 4.401 4.365 0.036 19498 1330 1 4 . 1 1 64 64 ASP CA C 64 57.664 57.664 57.588 0.076 19498 1331 1 4 . 1 1 64 64 ASP CB C 64 40.369 40.369 40.856 -0.487 19498 1332 1 4 . 1 1 64 64 ASP H H 64 8.272 8.272 8.029 0.243 19498 1333 1 4 . 1 1 65 65 VAL N N 65 121.948 121.948 120.298 1.650 19498 1334 1 4 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.874 -0.488 19498 1335 1 4 . 1 1 65 65 VAL CA C 65 65.913 65.913 65.864 0.049 19498 1336 1 4 . 1 1 65 65 VAL CB C 65 31.465 31.465 31.859 -0.394 19498 1337 1 4 . 1 1 65 65 VAL H H 65 7.335 7.335 7.476 -0.141 19498 1338 1 4 . 1 1 66 66 LEU N N 66 120.747 120.747 121.693 -0.946 19498 1339 1 4 . 1 1 66 66 LEU HA H 66 3.905 3.905 3.938 -0.033 19498 1340 1 4 . 1 1 66 66 LEU CA C 66 58.076 58.076 58.148 -0.072 19498 1341 1 4 . 1 1 66 66 LEU CB C 66 42.160 42.160 40.700 1.460 19498 1342 1 4 . 1 1 66 66 LEU H H 66 8.164 8.164 8.149 0.015 19498 1343 1 4 . 1 1 67 67 PHE N N 67 116.553 116.553 117.464 -0.911 19498 1344 1 4 . 1 1 67 67 PHE HA H 67 3.900 3.900 4.023 -0.123 19498 1345 1 4 . 1 1 67 67 PHE CA C 67 62.849 62.849 62.218 0.631 19498 1346 1 4 . 1 1 67 67 PHE CB C 67 38.003 38.003 37.798 0.205 19498 1347 1 4 . 1 1 67 67 PHE H H 67 8.350 8.350 8.026 0.324 19498 1348 1 4 . 1 1 68 68 ASN N N 68 121.020 121.020 118.784 2.236 19498 1349 1 4 . 1 1 68 68 ASN HA H 68 4.415 4.415 4.463 -0.048 19498 1350 1 4 . 1 1 68 68 ASN CA C 68 56.725 56.725 56.206 0.519 19498 1351 1 4 . 1 1 68 68 ASN CB C 68 38.071 38.071 38.377 -0.306 19498 1352 1 4 . 1 1 68 68 ASN H H 68 8.001 8.001 7.797 0.204 19498 1353 1 4 . 1 1 69 69 MET N N 69 120.402 120.402 118.019 2.383 19498 1354 1 4 . 1 1 69 69 MET HA H 69 4.011 4.011 4.207 -0.196 19498 1355 1 4 . 1 1 69 69 MET CA C 69 59.605 59.605 59.132 0.473 19498 1356 1 4 . 1 1 69 69 MET CB C 69 31.867 31.867 32.737 -0.870 19498 1357 1 4 . 1 1 69 69 MET H H 69 8.465 8.465 8.128 0.337 19498 1358 1 4 . 1 1 70 70 CYS N N 70 117.496 117.496 116.054 1.442 19498 1359 1 4 . 1 1 70 70 CYS CA C 70 63.145 63.145 62.340 0.805 19498 1360 1 4 . 1 1 70 70 CYS CB C 70 27.510 27.510 28.007 -0.497 19498 1361 1 4 . 1 1 70 70 CYS H H 70 7.616 7.616 7.595 0.021 19498 1362 1 4 . 1 1 71 71 THR N N 71 118.640 118.640 115.693 2.947 19498 1363 1 4 . 1 1 71 71 THR HA H 71 4.270 4.270 4.086 0.184 19498 1364 1 4 . 1 1 71 71 THR CA C 71 67.980 67.980 66.623 1.357 19498 1365 1 4 . 1 1 71 71 THR CB C 71 67.949 67.949 68.514 -0.565 19498 1366 1 4 . 1 1 71 71 THR H H 71 8.509 8.509 8.328 0.181 19498 1367 1 4 . 1 1 72 72 ASP HA H 72 4.430 4.430 4.521 -0.091 19498 1368 1 4 . 1 1 72 72 ASP CA C 72 57.590 57.590 57.311 0.279 19498 1369 1 4 . 1 1 72 72 ASP CB C 72 40.415 40.415 40.838 -0.423 19498 1370 1 4 . 1 1 73 73 TRP N N 73 121.657 121.657 121.509 0.148 19498 1371 1 4 . 1 1 73 73 TRP HA H 73 4.407 4.407 4.444 -0.037 19498 1372 1 4 . 1 1 73 73 TRP CA C 73 62.951 62.951 61.951 1.000 19498 1373 1 4 . 1 1 73 73 TRP CB C 73 29.114 29.114 30.137 -1.023 19498 1374 1 4 . 1 1 73 73 TRP H H 73 7.780 7.780 7.556 0.224 19498 1375 1 4 . 1 1 74 74 LEU N N 74 118.727 118.727 118.703 0.024 19498 1376 1 4 . 1 1 74 74 LEU HA H 74 3.582 3.582 3.973 -0.391 19498 1377 1 4 . 1 1 74 74 LEU CA C 74 58.184 58.184 58.138 0.046 19498 1378 1 4 . 1 1 74 74 LEU CB C 74 37.610 37.610 41.886 -4.276 19498 1379 1 4 . 1 1 74 74 LEU H H 74 8.490 8.490 7.946 0.544 19498 1380 1 4 . 1 1 75 75 ASN N N 75 117.962 117.962 117.604 0.358 19498 1381 1 4 . 1 1 75 75 ASN HA H 75 4.527 4.527 4.602 -0.075 19498 1382 1 4 . 1 1 75 75 ASN CA C 75 56.501 56.501 55.861 0.639 19498 1383 1 4 . 1 1 75 75 ASN CB C 75 37.999 37.999 37.934 0.065 19498 1384 1 4 . 1 1 75 75 ASN H H 75 8.639 8.639 8.035 0.604 19498 1385 1 4 . 1 1 76 76 HIS N N 76 120.823 120.823 119.004 1.819 19498 1386 1 4 . 1 1 76 76 HIS HA H 76 4.450 4.450 4.212 0.238 19498 1387 1 4 . 1 1 76 76 HIS CA C 76 58.737 58.737 59.252 -0.515 19498 1388 1 4 . 1 1 76 76 HIS CB C 76 28.007 28.007 29.916 -1.909 19498 1389 1 4 . 1 1 76 76 HIS H H 76 8.158 8.158 7.805 0.353 19498 1390 1 4 . 1 1 77 77 MET N N 77 118.749 118.749 115.465 3.284 19498 1391 1 4 . 1 1 77 77 MET HA H 77 4.071 4.071 3.827 0.244 19498 1392 1 4 . 1 1 77 77 MET CA C 77 55.827 55.827 57.440 -1.613 19498 1393 1 4 . 1 1 77 77 MET CB C 77 29.541 29.541 32.038 -2.497 19498 1394 1 4 . 1 1 77 77 MET H H 77 8.404 8.404 7.469 0.935 19498 1395 1 4 . 1 1 78 78 TYR N N 78 120.762 120.762 119.501 1.261 19498 1396 1 4 . 1 1 78 78 TYR HA H 78 3.662 3.662 4.070 -0.408 19498 1397 1 4 . 1 1 78 78 TYR CA C 78 62.640 62.640 61.959 0.681 19498 1398 1 4 . 1 1 78 78 TYR CB C 78 37.545 37.545 37.730 -0.185 19498 1399 1 4 . 1 1 78 78 TYR H H 78 8.322 8.322 7.663 0.659 19498 1400 1 4 . 1 1 79 79 ASP N N 79 116.578 116.578 117.985 -1.407 19498 1401 1 4 . 1 1 79 79 ASP HA H 79 4.106 4.106 4.388 -0.282 19498 1402 1 4 . 1 1 79 79 ASP CA C 79 57.410 57.410 57.211 0.199 19498 1403 1 4 . 1 1 79 79 ASP CB C 79 40.503 40.503 40.536 -0.033 19498 1404 1 4 . 1 1 79 79 ASP H H 79 7.460 7.460 8.477 -1.017 19498 1405 1 4 . 1 1 80 80 GLN N N 80 116.175 116.175 118.389 -2.214 19498 1406 1 4 . 1 1 80 80 GLN HA H 80 4.056 4.056 4.093 -0.037 19498 1407 1 4 . 1 1 80 80 GLN CA C 80 57.629 57.629 58.586 -0.957 19498 1408 1 4 . 1 1 80 80 GLN CB C 80 29.662 29.662 28.627 1.035 19498 1409 1 4 . 1 1 80 80 GLN H H 80 7.552 7.552 8.514 -0.962 19498 1410 1 4 . 1 1 81 81 LEU N N 81 118.398 118.398 117.419 0.979 19498 1411 1 4 . 1 1 81 81 LEU HA H 81 4.233 4.233 4.418 -0.185 19498 1412 1 4 . 1 1 81 81 LEU CA C 81 55.461 55.461 55.714 -0.253 19498 1413 1 4 . 1 1 81 81 LEU CB C 81 42.406 42.406 41.441 0.965 19498 1414 1 4 . 1 1 81 81 LEU H H 81 7.957 7.957 7.465 0.492 19498 1415 1 4 . 1 1 82 82 LYS N N 82 119.114 119.114 118.201 0.913 19498 1416 1 4 . 1 1 82 82 LYS HA H 82 3.841 3.841 4.248 -0.407 19498 1417 1 4 . 1 1 82 82 LYS CA C 82 58.510 58.510 57.858 0.652 19498 1418 1 4 . 1 1 82 82 LYS CB C 82 30.922 30.922 32.572 -1.650 19498 1419 1 4 . 1 1 82 82 LYS H H 82 7.664 7.664 7.607 0.057 19498 1420 1 4 . 1 1 83 83 ASP N N 83 118.655 118.655 118.007 0.648 19498 1421 1 4 . 1 1 83 83 ASP HA H 83 4.819 4.819 4.456 0.363 19498 1422 1 4 . 1 1 83 83 ASP CA C 83 53.886 53.886 54.999 -1.113 19498 1423 1 4 . 1 1 83 83 ASP CB C 83 40.986 40.986 41.170 -0.184 19498 1424 1 4 . 1 1 83 83 ASP H H 83 7.862 7.862 7.671 0.191 19498 1425 1 4 . 1 1 84 84 TRP N N 84 121.757 121.757 121.067 0.690 19498 1426 1 4 . 1 1 84 84 TRP CA C 84 58.462 58.462 56.010 2.452 19498 1427 1 4 . 1 1 84 84 TRP CB C 84 28.934 28.934 29.558 -0.624 19498 1428 1 4 . 1 1 84 84 TRP H H 84 7.925 7.925 7.294 0.631 19498 1429 1 5 . 1 1 6 6 SER CA C 6 56.008 56.008 58.445 -2.437 19498 1430 1 5 . 1 1 7 7 GLY N N 7 109.496 109.496 114.712 -5.216 19498 1431 1 5 . 1 1 7 7 GLY CA C 7 46.042 46.042 46.401 -0.359 19498 1432 1 5 . 1 1 7 7 GLY H H 7 8.432 8.432 9.012 -0.580 19498 1433 1 5 . 1 1 8 8 ASN N N 8 119.432 119.432 119.863 -0.431 19498 1434 1 5 . 1 1 8 8 ASN HA H 8 4.685 4.685 4.627 0.058 19498 1435 1 5 . 1 1 8 8 ASN CA C 8 53.922 53.922 54.095 -0.173 19498 1436 1 5 . 1 1 8 8 ASN CB C 8 37.970 37.970 38.454 -0.484 19498 1437 1 5 . 1 1 8 8 ASN H H 8 8.367 8.367 7.889 0.478 19498 1438 1 5 . 1 1 9 9 LEU N N 9 123.537 123.537 118.447 5.090 19498 1439 1 5 . 1 1 9 9 LEU HA H 9 3.984 3.984 4.695 -0.711 19498 1440 1 5 . 1 1 9 9 LEU CA C 9 56.417 56.417 54.676 1.740 19498 1441 1 5 . 1 1 9 9 LEU CB C 9 41.566 41.566 42.185 -0.619 19498 1442 1 5 . 1 1 9 9 LEU H H 9 7.922 7.922 7.721 0.201 19498 1443 1 5 . 1 1 10 10 ALA N N 10 122.287 122.287 124.116 -1.829 19498 1444 1 5 . 1 1 10 10 ALA HA H 10 4.127 4.127 4.068 0.059 19498 1445 1 5 . 1 1 10 10 ALA CA C 10 55.912 55.912 55.358 0.554 19498 1446 1 5 . 1 1 10 10 ALA CB C 10 17.998 17.998 18.273 -0.275 19498 1447 1 5 . 1 1 10 10 ALA H H 10 8.064 8.064 8.162 -0.098 19498 1448 1 5 . 1 1 11 11 ALA N N 11 121.326 121.326 119.826 1.500 19498 1449 1 5 . 1 1 11 11 ALA HA H 11 4.207 4.207 4.209 -0.002 19498 1450 1 5 . 1 1 11 11 ALA CA C 11 54.960 54.960 54.088 0.872 19498 1451 1 5 . 1 1 11 11 ALA CB C 11 17.998 17.998 18.454 -0.456 19498 1452 1 5 . 1 1 11 11 ALA H H 11 8.143 8.143 8.375 -0.232 19498 1453 1 5 . 1 1 12 12 PHE N N 12 122.913 122.913 119.236 3.677 19498 1454 1 5 . 1 1 12 12 PHE HA H 12 4.411 4.411 4.152 0.259 19498 1455 1 5 . 1 1 12 12 PHE CA C 12 61.007 61.007 61.255 -0.248 19498 1456 1 5 . 1 1 12 12 PHE CB C 12 39.499 39.499 39.214 0.285 19498 1457 1 5 . 1 1 12 12 PHE H H 12 7.779 7.779 8.219 -0.440 19498 1458 1 5 . 1 1 13 13 LYS N N 13 120.689 120.689 117.488 3.201 19498 1459 1 5 . 1 1 13 13 LYS HA H 13 3.861 3.861 4.126 -0.265 19498 1460 1 5 . 1 1 13 13 LYS CA C 13 59.099 59.099 59.199 -0.100 19498 1461 1 5 . 1 1 13 13 LYS CB C 13 31.867 31.867 32.392 -0.525 19498 1462 1 5 . 1 1 13 13 LYS H H 13 8.614 8.614 8.349 0.265 19498 1463 1 5 . 1 1 14 14 ALA N N 14 122.076 122.076 121.311 0.765 19498 1464 1 5 . 1 1 14 14 ALA HA H 14 3.182 3.182 4.150 -0.968 19498 1465 1 5 . 1 1 14 14 ALA CA C 14 55.108 55.108 54.641 0.467 19498 1466 1 5 . 1 1 14 14 ALA CB C 14 18.120 18.120 18.115 0.005 19498 1467 1 5 . 1 1 14 14 ALA H H 14 8.178 8.178 7.587 0.591 19498 1468 1 5 . 1 1 15 15 ALA N N 15 121.714 121.714 120.121 1.593 19498 1469 1 5 . 1 1 15 15 ALA HA H 15 4.040 4.040 4.067 -0.027 19498 1470 1 5 . 1 1 15 15 ALA CA C 15 55.158 55.158 54.928 0.230 19498 1471 1 5 . 1 1 15 15 ALA CB C 15 19.042 19.042 18.071 0.971 19498 1472 1 5 . 1 1 15 15 ALA H H 15 7.793 7.793 7.529 0.264 19498 1473 1 5 . 1 1 16 16 THR N N 16 111.959 111.959 113.617 -1.658 19498 1474 1 5 . 1 1 16 16 THR HA H 16 3.705 3.705 3.969 -0.264 19498 1475 1 5 . 1 1 16 16 THR CA C 16 66.762 66.762 67.068 -0.306 19498 1476 1 5 . 1 1 16 16 THR CB C 16 68.213 68.213 68.518 -0.305 19498 1477 1 5 . 1 1 16 16 THR H H 16 8.133 8.133 7.592 0.541 19498 1478 1 5 . 1 1 17 17 ASN N N 17 121.090 121.090 117.931 3.159 19498 1479 1 5 . 1 1 17 17 ASN HA H 17 4.520 4.520 4.504 0.016 19498 1480 1 5 . 1 1 17 17 ASN CA C 17 56.191 56.191 55.847 0.344 19498 1481 1 5 . 1 1 17 17 ASN CB C 17 38.365 38.365 38.508 -0.143 19498 1482 1 5 . 1 1 17 17 ASN H H 17 8.152 8.152 7.721 0.431 19498 1483 1 5 . 1 1 18 18 LYS N N 18 119.978 119.978 118.725 1.253 19498 1484 1 5 . 1 1 18 18 LYS HA H 18 3.914 3.914 3.977 -0.063 19498 1485 1 5 . 1 1 18 18 LYS CA C 18 59.865 59.865 58.145 1.720 19498 1486 1 5 . 1 1 18 18 LYS CB C 18 30.999 30.999 31.423 -0.424 19498 1487 1 5 . 1 1 18 18 LYS H H 18 7.568 7.568 7.641 -0.073 19498 1488 1 5 . 1 1 19 19 LEU N N 19 117.558 117.558 119.414 -1.856 19498 1489 1 5 . 1 1 19 19 LEU HA H 19 4.135 4.135 4.177 -0.042 19498 1490 1 5 . 1 1 19 19 LEU CA C 19 58.001 58.001 57.481 0.520 19498 1491 1 5 . 1 1 19 19 LEU CB C 19 40.823 40.823 41.516 -0.693 19498 1492 1 5 . 1 1 19 19 LEU H H 19 7.001 7.001 7.957 -0.956 19498 1493 1 5 . 1 1 20 20 PHE N N 20 121.123 121.123 118.016 3.107 19498 1494 1 5 . 1 1 20 20 PHE HA H 20 4.873 4.873 4.204 0.669 19498 1495 1 5 . 1 1 20 20 PHE CA C 20 60.375 60.375 60.540 -0.165 19498 1496 1 5 . 1 1 20 20 PHE CB C 20 38.480 38.480 39.154 -0.674 19498 1497 1 5 . 1 1 20 20 PHE H H 20 8.193 8.193 7.657 0.536 19498 1498 1 5 . 1 1 21 21 GLN N N 21 118.591 118.591 114.709 3.882 19498 1499 1 5 . 1 1 21 21 GLN HA H 21 4.208 4.208 4.242 -0.034 19498 1500 1 5 . 1 1 21 21 GLN CA C 21 58.055 58.055 56.727 1.328 19498 1501 1 5 . 1 1 21 21 GLN CB C 21 28.284 28.284 29.077 -0.793 19498 1502 1 5 . 1 1 21 21 GLN H H 21 7.918 7.918 7.934 -0.016 19498 1503 1 5 . 1 1 22 22 LEU N N 22 118.477 118.477 116.503 1.974 19498 1504 1 5 . 1 1 22 22 LEU HA H 22 4.534 4.534 4.546 -0.012 19498 1505 1 5 . 1 1 22 22 LEU CA C 22 54.033 54.033 54.172 -0.139 19498 1506 1 5 . 1 1 22 22 LEU CB C 22 41.469 41.469 42.567 -1.098 19498 1507 1 5 . 1 1 22 22 LEU H H 22 7.561 7.561 7.550 0.011 19498 1508 1 5 . 1 1 23 23 ASP N N 23 115.410 115.410 117.749 -2.339 19498 1509 1 5 . 1 1 23 23 ASP HA H 23 4.280 4.280 4.191 0.089 19498 1510 1 5 . 1 1 23 23 ASP CA C 23 55.494 55.494 55.657 -0.164 19498 1511 1 5 . 1 1 23 23 ASP CB C 23 39.317 39.317 39.571 -0.254 19498 1512 1 5 . 1 1 23 23 ASP H H 23 8.163 8.163 7.907 0.256 19498 1513 1 5 . 1 1 24 24 LEU N N 24 116.367 116.367 114.697 1.670 19498 1514 1 5 . 1 1 24 24 LEU HA H 24 4.790 4.790 4.815 -0.025 19498 1515 1 5 . 1 1 24 24 LEU CA C 24 53.030 53.030 53.386 -0.356 19498 1516 1 5 . 1 1 24 24 LEU CB C 24 43.867 43.867 44.452 -0.585 19498 1517 1 5 . 1 1 24 24 LEU H H 24 7.136 7.136 7.430 -0.294 19498 1518 1 5 . 1 1 25 25 ALA N N 25 123.243 123.243 120.783 2.460 19498 1519 1 5 . 1 1 25 25 ALA HA H 25 4.480 4.480 4.678 -0.198 19498 1520 1 5 . 1 1 25 25 ALA CA C 25 50.890 50.890 52.128 -1.238 19498 1521 1 5 . 1 1 25 25 ALA CB C 25 21.655 21.655 22.127 -0.472 19498 1522 1 5 . 1 1 25 25 ALA H H 25 8.931 8.931 8.539 0.392 19498 1523 1 5 . 1 1 26 26 VAL N N 26 119.587 119.587 122.320 -2.733 19498 1524 1 5 . 1 1 26 26 VAL HA H 26 4.889 4.889 4.766 0.123 19498 1525 1 5 . 1 1 26 26 VAL CA C 26 61.278 61.278 60.910 0.368 19498 1526 1 5 . 1 1 26 26 VAL CB C 26 33.310 33.310 34.403 -1.093 19498 1527 1 5 . 1 1 26 26 VAL H H 26 7.575 7.575 8.393 -0.818 19498 1528 1 5 . 1 1 27 27 ILE N N 27 130.377 130.377 126.658 3.719 19498 1529 1 5 . 1 1 27 27 ILE HA H 27 4.489 4.489 4.779 -0.290 19498 1530 1 5 . 1 1 27 27 ILE CA C 27 60.177 60.177 60.334 -0.157 19498 1531 1 5 . 1 1 27 27 ILE CB C 27 40.019 40.019 39.630 0.390 19498 1532 1 5 . 1 1 27 27 ILE H H 27 9.437 9.437 8.388 1.049 19498 1533 1 5 . 1 1 28 28 TYR N N 28 126.844 126.844 122.451 4.393 19498 1534 1 5 . 1 1 28 28 TYR HA H 28 5.709 5.709 5.641 0.068 19498 1535 1 5 . 1 1 28 28 TYR CA C 28 55.486 55.486 55.022 0.464 19498 1536 1 5 . 1 1 28 28 TYR CB C 28 42.019 42.019 40.746 1.273 19498 1537 1 5 . 1 1 28 28 TYR H H 28 8.531 8.531 8.174 0.357 19498 1538 1 5 . 1 1 29 29 ASP N N 29 122.875 122.875 123.011 -0.136 19498 1539 1 5 . 1 1 29 29 ASP HA H 29 4.966 4.966 4.600 0.366 19498 1540 1 5 . 1 1 29 29 ASP CA C 29 53.659 53.659 53.065 0.594 19498 1541 1 5 . 1 1 29 29 ASP CB C 29 44.660 44.660 43.448 1.212 19498 1542 1 5 . 1 1 29 29 ASP H H 29 8.614 8.614 8.721 -0.107 19498 1543 1 5 . 1 1 30 30 ASP N N 30 119.325 119.325 123.160 -3.835 19498 1544 1 5 . 1 1 30 30 ASP HA H 30 5.447 5.447 4.623 0.824 19498 1545 1 5 . 1 1 30 30 ASP CA C 30 53.501 53.501 53.579 -0.078 19498 1546 1 5 . 1 1 30 30 ASP CB C 30 43.921 43.921 41.977 1.944 19498 1547 1 5 . 1 1 30 30 ASP H H 30 8.607 8.607 8.236 0.371 19498 1548 1 5 . 1 1 31 31 TRP N N 31 120.552 120.552 119.779 0.773 19498 1549 1 5 . 1 1 31 31 TRP HA H 31 4.615 4.615 4.687 -0.072 19498 1550 1 5 . 1 1 31 31 TRP CA C 31 58.000 58.000 57.193 0.807 19498 1551 1 5 . 1 1 31 31 TRP CB C 31 31.500 31.500 27.764 3.736 19498 1552 1 5 . 1 1 31 31 TRP H H 31 8.673 8.673 8.085 0.588 19498 1553 1 5 . 1 1 32 32 TYR CA C 32 52.400 52.400 57.966 -5.566 19498 1554 1 5 . 1 1 32 32 TYR CB C 32 42.350 42.350 39.102 3.248 19498 1555 1 5 . 1 1 33 33 ASP CA C 33 52.400 52.400 54.915 -2.515 19498 1556 1 5 . 1 1 33 33 ASP CB C 33 42.350 42.350 40.909 1.441 19498 1557 1 5 . 1 1 34 34 ALA N N 34 126.709 126.709 125.954 0.755 19498 1558 1 5 . 1 1 34 34 ALA HA H 34 3.845 3.845 4.491 -0.646 19498 1559 1 5 . 1 1 34 34 ALA CA C 34 58.599 58.599 51.815 6.785 19498 1560 1 5 . 1 1 34 34 ALA CB C 34 18.610 18.610 19.895 -1.285 19498 1561 1 5 . 1 1 34 34 ALA H H 34 8.424 8.424 7.962 0.462 19498 1562 1 5 . 1 1 35 35 TYR N N 35 117.123 117.123 123.669 -6.546 19498 1563 1 5 . 1 1 35 35 TYR HA H 35 4.350 4.350 4.260 0.090 19498 1564 1 5 . 1 1 35 35 TYR CA C 35 60.466 60.466 60.891 -0.425 19498 1565 1 5 . 1 1 35 35 TYR CB C 35 38.113 38.113 38.623 -0.510 19498 1566 1 5 . 1 1 35 35 TYR H H 35 8.334 8.334 8.965 -0.631 19498 1567 1 5 . 1 1 36 36 THR N N 36 108.046 108.046 109.759 -1.713 19498 1568 1 5 . 1 1 36 36 THR HA H 36 4.018 4.018 4.219 -0.201 19498 1569 1 5 . 1 1 36 36 THR CA C 36 61.809 61.809 62.388 -0.579 19498 1570 1 5 . 1 1 36 36 THR CB C 36 69.926 69.926 68.966 0.960 19498 1571 1 5 . 1 1 36 36 THR H H 36 7.563 7.563 8.084 -0.521 19498 1572 1 5 . 1 1 37 37 ARG N N 37 118.456 118.456 121.869 -3.413 19498 1573 1 5 . 1 1 37 37 ARG CA C 37 57.001 57.001 54.779 2.222 19498 1574 1 5 . 1 1 37 37 ARG H H 37 7.952 7.952 7.529 0.423 19498 1575 1 5 . 1 1 40 40 CYS CA C 40 56.316 56.316 57.840 -1.524 19498 1576 1 5 . 1 1 40 40 CYS CB C 40 29.999 29.999 29.926 0.073 19498 1577 1 5 . 1 1 41 41 ILE N N 41 121.419 121.419 124.471 -3.052 19498 1578 1 5 . 1 1 41 41 ILE HA H 41 4.709 4.709 4.552 0.157 19498 1579 1 5 . 1 1 41 41 ILE CA C 41 60.462 60.462 60.934 -0.472 19498 1580 1 5 . 1 1 41 41 ILE CB C 41 42.309 42.309 42.270 0.039 19498 1581 1 5 . 1 1 41 41 ILE H H 41 8.459 8.459 9.105 -0.646 19498 1582 1 5 . 1 1 42 42 ARG N N 42 127.916 127.916 126.905 1.011 19498 1583 1 5 . 1 1 42 42 ARG CA C 42 54.501 54.501 54.373 0.128 19498 1584 1 5 . 1 1 42 42 ARG CB C 42 33.204 33.204 33.904 -0.700 19498 1585 1 5 . 1 1 42 42 ARG H H 42 9.004 9.004 9.046 -0.042 19498 1586 1 5 . 1 1 43 43 LEU N N 43 124.715 124.715 127.120 -2.405 19498 1587 1 5 . 1 1 43 43 LEU HA H 43 5.538 5.538 4.734 0.804 19498 1588 1 5 . 1 1 43 43 LEU CA C 43 53.266 53.266 54.207 -0.941 19498 1589 1 5 . 1 1 43 43 LEU CB C 43 46.163 46.163 42.735 3.428 19498 1590 1 5 . 1 1 43 43 LEU H H 43 8.757 8.757 8.743 0.014 19498 1591 1 5 . 1 1 44 44 ARG N N 44 123.499 123.499 125.731 -2.232 19498 1592 1 5 . 1 1 44 44 ARG HA H 44 5.004 5.004 4.751 0.253 19498 1593 1 5 . 1 1 44 44 ARG CA C 44 55.508 55.508 54.816 0.692 19498 1594 1 5 . 1 1 44 44 ARG CB C 44 34.543 34.543 32.748 1.795 19498 1595 1 5 . 1 1 44 44 ARG H H 44 9.366 9.366 8.738 0.628 19498 1596 1 5 . 1 1 45 45 ILE N N 45 122.919 122.919 126.757 -3.838 19498 1597 1 5 . 1 1 45 45 ILE HA H 45 5.260 5.260 4.607 0.653 19498 1598 1 5 . 1 1 45 45 ILE CA C 45 59.933 59.933 59.261 0.672 19498 1599 1 5 . 1 1 45 45 ILE CB C 45 39.751 39.751 38.443 1.308 19498 1600 1 5 . 1 1 45 45 ILE H H 45 8.938 8.938 8.196 0.742 19498 1601 1 5 . 1 1 46 46 GLU N N 46 126.745 126.745 126.939 -0.194 19498 1602 1 5 . 1 1 46 46 GLU HA H 46 5.465 5.465 4.878 0.587 19498 1603 1 5 . 1 1 46 46 GLU CA C 46 53.707 53.707 54.526 -0.820 19498 1604 1 5 . 1 1 46 46 GLU CB C 46 35.276 35.276 34.128 1.148 19498 1605 1 5 . 1 1 46 46 GLU H H 46 9.097 9.097 8.407 0.690 19498 1606 1 5 . 1 1 47 47 ASP N N 47 117.988 117.988 124.092 -6.104 19498 1607 1 5 . 1 1 47 47 ASP HA H 47 4.976 4.976 4.690 0.286 19498 1608 1 5 . 1 1 47 47 ASP CA C 47 52.411 52.411 53.543 -1.132 19498 1609 1 5 . 1 1 47 47 ASP CB C 47 41.609 41.609 43.068 -1.459 19498 1610 1 5 . 1 1 47 47 ASP H H 47 8.209 8.209 8.971 -0.762 19498 1611 1 5 . 1 1 48 48 ARG N N 48 117.098 117.098 123.462 -6.364 19498 1612 1 5 . 1 1 48 48 ARG HA H 48 4.129 4.129 4.106 0.023 19498 1613 1 5 . 1 1 48 48 ARG CA C 48 58.323 58.323 58.526 -0.203 19498 1614 1 5 . 1 1 48 48 ARG CB C 48 29.511 29.511 29.805 -0.294 19498 1615 1 5 . 1 1 48 48 ARG H H 48 8.872 8.872 8.646 0.226 19498 1616 1 5 . 1 1 49 49 SER N N 49 115.006 115.006 114.863 0.143 19498 1617 1 5 . 1 1 49 49 SER HA H 49 4.614 4.614 4.516 0.098 19498 1618 1 5 . 1 1 49 49 SER CA C 49 58.411 58.411 57.558 0.853 19498 1619 1 5 . 1 1 49 49 SER CB C 49 63.806 63.806 63.253 0.553 19498 1620 1 5 . 1 1 49 49 SER H H 49 8.142 8.142 8.659 -0.517 19498 1621 1 5 . 1 1 50 50 GLY N N 50 109.042 109.042 109.430 -0.388 19498 1622 1 5 . 1 1 50 50 GLY CA C 50 44.997 44.997 45.344 -0.347 19498 1623 1 5 . 1 1 50 50 GLY H H 50 8.035 8.035 7.782 0.253 19498 1624 1 5 . 1 1 51 51 ASN N N 51 119.842 119.842 118.055 1.787 19498 1625 1 5 . 1 1 51 51 ASN HA H 51 4.546 4.546 4.951 -0.405 19498 1626 1 5 . 1 1 51 51 ASN CA C 51 53.419 53.419 51.544 1.875 19498 1627 1 5 . 1 1 51 51 ASN CB C 51 38.422 38.422 40.672 -2.250 19498 1628 1 5 . 1 1 51 51 ASN H H 51 8.613 8.613 7.799 0.814 19498 1629 1 5 . 1 1 52 52 LEU N N 52 124.085 124.085 121.976 2.109 19498 1630 1 5 . 1 1 52 52 LEU HA H 52 4.142 4.142 4.675 -0.533 19498 1631 1 5 . 1 1 52 52 LEU CA C 52 56.023 56.023 55.876 0.147 19498 1632 1 5 . 1 1 52 52 LEU CB C 52 42.353 42.353 42.878 -0.525 19498 1633 1 5 . 1 1 52 52 LEU H H 52 8.631 8.631 8.627 0.004 19498 1634 1 5 . 1 1 53 53 ILE N N 53 129.362 129.362 120.840 8.522 19498 1635 1 5 . 1 1 53 53 ILE HA H 53 4.137 4.137 4.495 -0.358 19498 1636 1 5 . 1 1 53 53 ILE CA C 53 61.800 61.800 61.521 0.279 19498 1637 1 5 . 1 1 53 53 ILE CB C 53 37.256 37.256 39.176 -1.920 19498 1638 1 5 . 1 1 53 53 ILE H H 53 9.432 9.432 8.589 0.843 19498 1639 1 5 . 1 1 54 54 ASP N N 54 113.575 113.575 118.279 -4.704 19498 1640 1 5 . 1 1 54 54 ASP HA H 54 4.847 4.847 4.902 -0.055 19498 1641 1 5 . 1 1 54 54 ASP CA C 54 53.586 53.586 54.247 -0.661 19498 1642 1 5 . 1 1 54 54 ASP CB C 54 44.500 44.500 43.351 1.149 19498 1643 1 5 . 1 1 54 54 ASP H H 54 7.761 7.761 7.704 0.057 19498 1644 1 5 . 1 1 55 55 THR N N 55 115.783 115.783 112.252 3.531 19498 1645 1 5 . 1 1 55 55 THR HA H 55 5.427 5.427 5.064 0.363 19498 1646 1 5 . 1 1 55 55 THR CA C 55 59.185 59.185 61.017 -1.832 19498 1647 1 5 . 1 1 55 55 THR CB C 55 70.551 70.551 71.884 -1.333 19498 1648 1 5 . 1 1 55 55 THR H H 55 10.106 10.106 8.282 1.824 19498 1649 1 5 . 1 1 56 56 SER N N 56 119.808 119.808 117.345 2.463 19498 1650 1 5 . 1 1 56 56 SER HA H 56 4.135 4.135 4.496 -0.361 19498 1651 1 5 . 1 1 56 56 SER CA C 56 58.001 58.001 57.687 0.314 19498 1652 1 5 . 1 1 56 56 SER CB C 56 65.039 65.039 66.285 -1.246 19498 1653 1 5 . 1 1 56 56 SER H H 56 7.872 7.872 8.446 -0.574 19498 1654 1 5 . 1 1 57 57 THR N N 57 117.962 117.962 118.383 -0.421 19498 1655 1 5 . 1 1 57 57 THR HA H 57 4.964 4.964 4.448 0.516 19498 1656 1 5 . 1 1 57 57 THR CA C 57 61.001 61.001 61.859 -0.858 19498 1657 1 5 . 1 1 57 57 THR CB C 57 70.881 70.881 70.089 0.792 19498 1658 1 5 . 1 1 57 57 THR H H 57 7.524 7.524 7.908 -0.384 19498 1659 1 5 . 1 1 58 58 PHE N N 58 123.853 123.853 127.014 -3.161 19498 1660 1 5 . 1 1 58 58 PHE HA H 58 4.603 4.603 4.865 -0.262 19498 1661 1 5 . 1 1 58 58 PHE CA C 58 56.648 56.648 57.355 -0.707 19498 1662 1 5 . 1 1 58 58 PHE CB C 58 43.583 43.583 41.657 1.926 19498 1663 1 5 . 1 1 58 58 PHE H H 58 8.861 8.861 9.034 -0.173 19498 1664 1 5 . 1 1 59 59 TYR N N 59 117.898 117.898 120.853 -2.955 19498 1665 1 5 . 1 1 59 59 TYR HA H 59 5.328 5.328 4.858 0.470 19498 1666 1 5 . 1 1 59 59 TYR CA C 59 56.221 56.221 56.026 0.195 19498 1667 1 5 . 1 1 59 59 TYR CB C 59 42.106 42.106 39.153 2.953 19498 1668 1 5 . 1 1 59 59 TYR H H 59 8.328 8.328 8.513 -0.185 19498 1669 1 5 . 1 1 60 60 HIS CA C 60 60.065 60.065 55.496 4.569 19498 1670 1 5 . 1 1 60 60 HIS CB C 60 34.284 34.284 32.156 2.128 19498 1671 1 5 . 1 1 61 61 HIS N N 61 121.880 121.880 123.462 -1.582 19498 1672 1 5 . 1 1 61 61 HIS CA C 61 58.001 58.001 56.273 1.728 19498 1673 1 5 . 1 1 61 61 HIS CB C 61 29.999 29.999 28.661 1.338 19498 1674 1 5 . 1 1 61 61 HIS H H 61 7.734 7.734 8.700 -0.966 19498 1675 1 5 . 1 1 62 62 ASP N N 62 128.148 128.148 126.983 1.165 19498 1676 1 5 . 1 1 62 62 ASP HA H 62 4.870 4.870 4.719 0.151 19498 1677 1 5 . 1 1 62 62 ASP CA C 62 53.348 53.348 53.343 0.005 19498 1678 1 5 . 1 1 62 62 ASP CB C 62 42.600 42.600 42.422 0.178 19498 1679 1 5 . 1 1 62 62 ASP H H 62 11.492 11.492 7.761 3.731 19498 1680 1 5 . 1 1 63 63 GLU N N 63 126.564 126.564 127.194 -0.630 19498 1681 1 5 . 1 1 63 63 GLU HA H 63 3.795 3.795 3.867 -0.072 19498 1682 1 5 . 1 1 63 63 GLU CA C 63 59.863 59.863 59.728 0.135 19498 1683 1 5 . 1 1 63 63 GLU CB C 63 34.007 34.007 29.331 4.676 19498 1684 1 5 . 1 1 63 63 GLU H H 63 8.982 8.982 8.760 0.222 19498 1685 1 5 . 1 1 64 64 ASP N N 64 117.779 117.779 119.479 -1.700 19498 1686 1 5 . 1 1 64 64 ASP HA H 64 4.401 4.401 4.596 -0.195 19498 1687 1 5 . 1 1 64 64 ASP CA C 64 57.664 57.664 56.630 1.034 19498 1688 1 5 . 1 1 64 64 ASP CB C 64 40.369 40.369 40.687 -0.318 19498 1689 1 5 . 1 1 64 64 ASP H H 64 8.272 8.272 7.797 0.475 19498 1690 1 5 . 1 1 65 65 VAL N N 65 121.948 121.948 120.851 1.097 19498 1691 1 5 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.748 -0.362 19498 1692 1 5 . 1 1 65 65 VAL CA C 65 65.913 65.913 65.989 -0.076 19498 1693 1 5 . 1 1 65 65 VAL CB C 65 31.465 31.465 31.447 0.018 19498 1694 1 5 . 1 1 65 65 VAL H H 65 7.335 7.335 8.651 -1.316 19498 1695 1 5 . 1 1 66 66 LEU N N 66 120.747 120.747 120.598 0.149 19498 1696 1 5 . 1 1 66 66 LEU HA H 66 3.905 3.905 3.695 0.210 19498 1697 1 5 . 1 1 66 66 LEU CA C 66 58.076 58.076 58.203 -0.127 19498 1698 1 5 . 1 1 66 66 LEU CB C 66 42.160 42.160 41.305 0.855 19498 1699 1 5 . 1 1 66 66 LEU H H 66 8.164 8.164 7.764 0.400 19498 1700 1 5 . 1 1 67 67 PHE N N 67 116.553 116.553 116.699 -0.146 19498 1701 1 5 . 1 1 67 67 PHE HA H 67 3.900 3.900 4.206 -0.306 19498 1702 1 5 . 1 1 67 67 PHE CA C 67 62.849 62.849 61.656 1.194 19498 1703 1 5 . 1 1 67 67 PHE CB C 67 38.003 38.003 38.082 -0.079 19498 1704 1 5 . 1 1 67 67 PHE H H 67 8.350 8.350 7.485 0.865 19498 1705 1 5 . 1 1 68 68 ASN N N 68 121.020 121.020 119.024 1.996 19498 1706 1 5 . 1 1 68 68 ASN HA H 68 4.415 4.415 4.410 0.005 19498 1707 1 5 . 1 1 68 68 ASN CA C 68 56.725 56.725 56.651 0.073 19498 1708 1 5 . 1 1 68 68 ASN CB C 68 38.071 38.071 38.693 -0.622 19498 1709 1 5 . 1 1 68 68 ASN H H 68 8.001 8.001 7.829 0.172 19498 1710 1 5 . 1 1 69 69 MET N N 69 120.402 120.402 118.698 1.704 19498 1711 1 5 . 1 1 69 69 MET HA H 69 4.011 4.011 4.095 -0.084 19498 1712 1 5 . 1 1 69 69 MET CA C 69 59.605 59.605 59.344 0.261 19498 1713 1 5 . 1 1 69 69 MET CB C 69 31.867 31.867 32.267 -0.400 19498 1714 1 5 . 1 1 69 69 MET H H 69 8.465 8.465 7.856 0.609 19498 1715 1 5 . 1 1 70 70 CYS N N 70 117.496 117.496 117.338 0.158 19498 1716 1 5 . 1 1 70 70 CYS CA C 70 63.145 63.145 63.768 -0.623 19498 1717 1 5 . 1 1 70 70 CYS CB C 70 27.510 27.510 26.916 0.594 19498 1718 1 5 . 1 1 70 70 CYS H H 70 7.616 7.616 7.673 -0.057 19498 1719 1 5 . 1 1 71 71 THR N N 71 118.640 118.640 115.054 3.586 19498 1720 1 5 . 1 1 71 71 THR HA H 71 4.270 4.270 4.079 0.191 19498 1721 1 5 . 1 1 71 71 THR CA C 71 67.980 67.980 66.097 1.883 19498 1722 1 5 . 1 1 71 71 THR CB C 71 67.949 67.949 68.567 -0.618 19498 1723 1 5 . 1 1 71 71 THR H H 71 8.509 8.509 7.955 0.554 19498 1724 1 5 . 1 1 72 72 ASP HA H 72 4.430 4.430 4.468 -0.038 19498 1725 1 5 . 1 1 72 72 ASP CA C 72 57.590 57.590 57.374 0.216 19498 1726 1 5 . 1 1 72 72 ASP CB C 72 40.415 40.415 40.767 -0.352 19498 1727 1 5 . 1 1 73 73 TRP N N 73 121.657 121.657 121.092 0.565 19498 1728 1 5 . 1 1 73 73 TRP HA H 73 4.407 4.407 4.397 0.010 19498 1729 1 5 . 1 1 73 73 TRP CA C 73 62.951 62.951 61.694 1.257 19498 1730 1 5 . 1 1 73 73 TRP CB C 73 29.114 29.114 29.790 -0.676 19498 1731 1 5 . 1 1 73 73 TRP H H 73 7.780 7.780 7.591 0.189 19498 1732 1 5 . 1 1 74 74 LEU N N 74 118.727 118.727 118.519 0.208 19498 1733 1 5 . 1 1 74 74 LEU HA H 74 3.582 3.582 3.545 0.037 19498 1734 1 5 . 1 1 74 74 LEU CA C 74 58.184 58.184 57.582 0.602 19498 1735 1 5 . 1 1 74 74 LEU CB C 74 37.610 37.610 41.323 -3.713 19498 1736 1 5 . 1 1 74 74 LEU H H 74 8.490 8.490 7.547 0.943 19498 1737 1 5 . 1 1 75 75 ASN N N 75 117.962 117.962 117.579 0.383 19498 1738 1 5 . 1 1 75 75 ASN HA H 75 4.527 4.527 4.560 -0.033 19498 1739 1 5 . 1 1 75 75 ASN CA C 75 56.501 56.501 55.792 0.709 19498 1740 1 5 . 1 1 75 75 ASN CB C 75 37.999 37.999 38.458 -0.459 19498 1741 1 5 . 1 1 75 75 ASN H H 75 8.639 8.639 7.829 0.810 19498 1742 1 5 . 1 1 76 76 HIS N N 76 120.823 120.823 119.780 1.043 19498 1743 1 5 . 1 1 76 76 HIS HA H 76 4.450 4.450 4.162 0.288 19498 1744 1 5 . 1 1 76 76 HIS CA C 76 58.737 58.737 59.148 -0.411 19498 1745 1 5 . 1 1 76 76 HIS CB C 76 28.007 28.007 29.641 -1.634 19498 1746 1 5 . 1 1 76 76 HIS H H 76 8.158 8.158 7.514 0.644 19498 1747 1 5 . 1 1 77 77 MET N N 77 118.749 118.749 115.592 3.157 19498 1748 1 5 . 1 1 77 77 MET HA H 77 4.071 4.071 3.798 0.273 19498 1749 1 5 . 1 1 77 77 MET CA C 77 55.827 55.827 57.294 -1.467 19498 1750 1 5 . 1 1 77 77 MET CB C 77 29.541 29.541 31.951 -2.410 19498 1751 1 5 . 1 1 77 77 MET H H 77 8.404 8.404 6.979 1.425 19498 1752 1 5 . 1 1 78 78 TYR N N 78 120.762 120.762 119.710 1.052 19498 1753 1 5 . 1 1 78 78 TYR HA H 78 3.662 3.662 4.020 -0.358 19498 1754 1 5 . 1 1 78 78 TYR CA C 78 62.640 62.640 60.324 2.316 19498 1755 1 5 . 1 1 78 78 TYR CB C 78 37.545 37.545 37.661 -0.116 19498 1756 1 5 . 1 1 78 78 TYR H H 78 8.322 8.322 7.235 1.087 19498 1757 1 5 . 1 1 79 79 ASP N N 79 116.578 116.578 116.997 -0.419 19498 1758 1 5 . 1 1 79 79 ASP HA H 79 4.106 4.106 4.394 -0.288 19498 1759 1 5 . 1 1 79 79 ASP CA C 79 57.410 57.410 56.788 0.622 19498 1760 1 5 . 1 1 79 79 ASP CB C 79 40.503 40.503 41.124 -0.621 19498 1761 1 5 . 1 1 79 79 ASP H H 79 7.460 7.460 7.963 -0.503 19498 1762 1 5 . 1 1 80 80 GLN N N 80 116.175 116.175 120.072 -3.897 19498 1763 1 5 . 1 1 80 80 GLN HA H 80 4.056 4.056 4.035 0.021 19498 1764 1 5 . 1 1 80 80 GLN CA C 80 57.629 57.629 58.432 -0.803 19498 1765 1 5 . 1 1 80 80 GLN CB C 80 29.662 29.662 28.804 0.858 19498 1766 1 5 . 1 1 80 80 GLN H H 80 7.552 7.552 7.878 -0.326 19498 1767 1 5 . 1 1 81 81 LEU N N 81 118.398 118.398 116.027 2.371 19498 1768 1 5 . 1 1 81 81 LEU HA H 81 4.233 4.233 4.347 -0.114 19498 1769 1 5 . 1 1 81 81 LEU CA C 81 55.461 55.461 55.280 0.181 19498 1770 1 5 . 1 1 81 81 LEU CB C 81 42.406 42.406 41.625 0.781 19498 1771 1 5 . 1 1 81 81 LEU H H 81 7.957 7.957 7.606 0.351 19498 1772 1 5 . 1 1 82 82 LYS N N 82 119.114 119.114 117.548 1.566 19498 1773 1 5 . 1 1 82 82 LYS HA H 82 3.841 3.841 4.425 -0.584 19498 1774 1 5 . 1 1 82 82 LYS CA C 82 58.510 58.510 57.435 1.075 19498 1775 1 5 . 1 1 82 82 LYS CB C 82 30.922 30.922 32.620 -1.698 19498 1776 1 5 . 1 1 82 82 LYS H H 82 7.664 7.664 7.323 0.341 19498 1777 1 5 . 1 1 83 83 ASP N N 83 118.655 118.655 119.399 -0.744 19498 1778 1 5 . 1 1 83 83 ASP HA H 83 4.819 4.819 4.264 0.555 19498 1779 1 5 . 1 1 83 83 ASP CA C 83 53.886 53.886 56.505 -2.619 19498 1780 1 5 . 1 1 83 83 ASP CB C 83 40.986 40.986 41.014 -0.028 19498 1781 1 5 . 1 1 83 83 ASP H H 83 7.862 7.862 7.562 0.300 19498 1782 1 5 . 1 1 84 84 TRP N N 84 121.757 121.757 120.731 1.026 19498 1783 1 5 . 1 1 84 84 TRP CA C 84 58.462 58.462 56.398 2.064 19498 1784 1 5 . 1 1 84 84 TRP CB C 84 28.934 28.934 29.176 -0.242 19498 1785 1 5 . 1 1 84 84 TRP H H 84 7.925 7.925 8.049 -0.124 19498 1786 1 6 . 1 1 6 6 SER CA C 6 56.008 56.008 58.120 -2.112 19498 1787 1 6 . 1 1 7 7 GLY N N 7 109.496 109.496 108.804 0.692 19498 1788 1 6 . 1 1 7 7 GLY CA C 7 46.042 46.042 44.894 1.148 19498 1789 1 6 . 1 1 7 7 GLY H H 7 8.432 8.432 8.155 0.277 19498 1790 1 6 . 1 1 8 8 ASN N N 8 119.432 119.432 115.477 3.955 19498 1791 1 6 . 1 1 8 8 ASN HA H 8 4.685 4.685 4.497 0.188 19498 1792 1 6 . 1 1 8 8 ASN CA C 8 53.922 53.922 53.721 0.201 19498 1793 1 6 . 1 1 8 8 ASN CB C 8 37.970 37.970 37.646 0.324 19498 1794 1 6 . 1 1 8 8 ASN H H 8 8.367 8.367 8.330 0.037 19498 1795 1 6 . 1 1 9 9 LEU N N 9 123.537 123.537 118.683 4.854 19498 1796 1 6 . 1 1 9 9 LEU HA H 9 3.984 3.984 4.139 -0.155 19498 1797 1 6 . 1 1 9 9 LEU CA C 9 56.417 56.417 54.722 1.695 19498 1798 1 6 . 1 1 9 9 LEU CB C 9 41.566 41.566 41.157 0.409 19498 1799 1 6 . 1 1 9 9 LEU H H 9 7.922 7.922 7.668 0.254 19498 1800 1 6 . 1 1 10 10 ALA N N 10 122.287 122.287 124.011 -1.724 19498 1801 1 6 . 1 1 10 10 ALA HA H 10 4.127 4.127 3.997 0.130 19498 1802 1 6 . 1 1 10 10 ALA CA C 10 55.912 55.912 55.243 0.669 19498 1803 1 6 . 1 1 10 10 ALA CB C 10 17.998 17.998 18.165 -0.167 19498 1804 1 6 . 1 1 10 10 ALA H H 10 8.064 8.064 8.082 -0.018 19498 1805 1 6 . 1 1 11 11 ALA N N 11 121.326 121.326 119.535 1.791 19498 1806 1 6 . 1 1 11 11 ALA HA H 11 4.207 4.207 4.220 -0.013 19498 1807 1 6 . 1 1 11 11 ALA CA C 11 54.960 54.960 53.682 1.278 19498 1808 1 6 . 1 1 11 11 ALA CB C 11 17.998 17.998 18.477 -0.479 19498 1809 1 6 . 1 1 11 11 ALA H H 11 8.143 8.143 8.199 -0.056 19498 1810 1 6 . 1 1 12 12 PHE N N 12 122.913 122.913 119.740 3.173 19498 1811 1 6 . 1 1 12 12 PHE HA H 12 4.411 4.411 4.127 0.284 19498 1812 1 6 . 1 1 12 12 PHE CA C 12 61.007 61.007 60.781 0.226 19498 1813 1 6 . 1 1 12 12 PHE CB C 12 39.499 39.499 39.200 0.299 19498 1814 1 6 . 1 1 12 12 PHE H H 12 7.779 7.779 8.197 -0.418 19498 1815 1 6 . 1 1 13 13 LYS N N 13 120.689 120.689 118.619 2.070 19498 1816 1 6 . 1 1 13 13 LYS HA H 13 3.861 3.861 4.069 -0.208 19498 1817 1 6 . 1 1 13 13 LYS CA C 13 59.099 59.099 58.415 0.684 19498 1818 1 6 . 1 1 13 13 LYS CB C 13 31.867 31.867 31.508 0.359 19498 1819 1 6 . 1 1 13 13 LYS H H 13 8.614 8.614 8.632 -0.018 19498 1820 1 6 . 1 1 14 14 ALA N N 14 122.076 122.076 120.896 1.180 19498 1821 1 6 . 1 1 14 14 ALA HA H 14 3.182 3.182 4.091 -0.909 19498 1822 1 6 . 1 1 14 14 ALA CA C 14 55.108 55.108 54.575 0.533 19498 1823 1 6 . 1 1 14 14 ALA CB C 14 18.120 18.120 17.940 0.180 19498 1824 1 6 . 1 1 14 14 ALA H H 14 8.178 8.178 7.772 0.406 19498 1825 1 6 . 1 1 15 15 ALA N N 15 121.714 121.714 119.780 1.934 19498 1826 1 6 . 1 1 15 15 ALA HA H 15 4.040 4.040 3.980 0.060 19498 1827 1 6 . 1 1 15 15 ALA CA C 15 55.158 55.158 54.424 0.734 19498 1828 1 6 . 1 1 15 15 ALA CB C 15 19.042 19.042 18.060 0.982 19498 1829 1 6 . 1 1 15 15 ALA H H 15 7.793 7.793 7.464 0.329 19498 1830 1 6 . 1 1 16 16 THR N N 16 111.959 111.959 114.582 -2.623 19498 1831 1 6 . 1 1 16 16 THR HA H 16 3.705 3.705 3.839 -0.134 19498 1832 1 6 . 1 1 16 16 THR CA C 16 66.762 66.762 67.041 -0.279 19498 1833 1 6 . 1 1 16 16 THR CB C 16 68.213 68.213 68.531 -0.318 19498 1834 1 6 . 1 1 16 16 THR H H 16 8.133 8.133 7.961 0.172 19498 1835 1 6 . 1 1 17 17 ASN N N 17 121.090 121.090 118.958 2.132 19498 1836 1 6 . 1 1 17 17 ASN HA H 17 4.520 4.520 4.485 0.035 19498 1837 1 6 . 1 1 17 17 ASN CA C 17 56.191 56.191 56.107 0.084 19498 1838 1 6 . 1 1 17 17 ASN CB C 17 38.365 38.365 38.835 -0.470 19498 1839 1 6 . 1 1 17 17 ASN H H 17 8.152 8.152 7.791 0.361 19498 1840 1 6 . 1 1 18 18 LYS N N 18 119.978 119.978 118.541 1.437 19498 1841 1 6 . 1 1 18 18 LYS HA H 18 3.914 3.914 3.954 -0.040 19498 1842 1 6 . 1 1 18 18 LYS CA C 18 59.865 59.865 58.739 1.126 19498 1843 1 6 . 1 1 18 18 LYS CB C 18 30.999 30.999 31.901 -0.902 19498 1844 1 6 . 1 1 18 18 LYS H H 18 7.568 7.568 7.454 0.114 19498 1845 1 6 . 1 1 19 19 LEU N N 19 117.558 117.558 118.721 -1.163 19498 1846 1 6 . 1 1 19 19 LEU HA H 19 4.135 4.135 4.271 -0.136 19498 1847 1 6 . 1 1 19 19 LEU CA C 19 58.001 58.001 57.349 0.652 19498 1848 1 6 . 1 1 19 19 LEU CB C 19 40.823 40.823 42.043 -1.220 19498 1849 1 6 . 1 1 19 19 LEU H H 19 7.001 7.001 7.472 -0.471 19498 1850 1 6 . 1 1 20 20 PHE N N 20 121.123 121.123 118.537 2.586 19498 1851 1 6 . 1 1 20 20 PHE HA H 20 4.873 4.873 4.220 0.653 19498 1852 1 6 . 1 1 20 20 PHE CA C 20 60.375 60.375 60.789 -0.414 19498 1853 1 6 . 1 1 20 20 PHE CB C 20 38.480 38.480 38.950 -0.470 19498 1854 1 6 . 1 1 20 20 PHE H H 20 8.193 8.193 7.865 0.328 19498 1855 1 6 . 1 1 21 21 GLN N N 21 118.591 118.591 117.925 0.666 19498 1856 1 6 . 1 1 21 21 GLN HA H 21 4.208 4.208 3.926 0.282 19498 1857 1 6 . 1 1 21 21 GLN CA C 21 58.055 58.055 58.370 -0.314 19498 1858 1 6 . 1 1 21 21 GLN CB C 21 28.284 28.284 28.719 -0.435 19498 1859 1 6 . 1 1 21 21 GLN H H 21 7.918 7.918 7.738 0.180 19498 1860 1 6 . 1 1 22 22 LEU N N 22 118.477 118.477 118.265 0.212 19498 1861 1 6 . 1 1 22 22 LEU HA H 22 4.534 4.534 4.454 0.080 19498 1862 1 6 . 1 1 22 22 LEU CA C 22 54.033 54.033 54.056 -0.022 19498 1863 1 6 . 1 1 22 22 LEU CB C 22 41.469 41.469 42.602 -1.133 19498 1864 1 6 . 1 1 22 22 LEU H H 22 7.561 7.561 7.649 -0.088 19498 1865 1 6 . 1 1 23 23 ASP N N 23 115.410 115.410 118.627 -3.217 19498 1866 1 6 . 1 1 23 23 ASP HA H 23 4.280 4.280 4.092 0.188 19498 1867 1 6 . 1 1 23 23 ASP CA C 23 55.494 55.494 55.362 0.132 19498 1868 1 6 . 1 1 23 23 ASP CB C 23 39.317 39.317 39.448 -0.131 19498 1869 1 6 . 1 1 23 23 ASP H H 23 8.163 8.163 7.573 0.590 19498 1870 1 6 . 1 1 24 24 LEU N N 24 116.367 116.367 115.210 1.157 19498 1871 1 6 . 1 1 24 24 LEU HA H 24 4.790 4.790 4.819 -0.029 19498 1872 1 6 . 1 1 24 24 LEU CA C 24 53.030 53.030 53.450 -0.420 19498 1873 1 6 . 1 1 24 24 LEU CB C 24 43.867 43.867 44.165 -0.298 19498 1874 1 6 . 1 1 24 24 LEU H H 24 7.136 7.136 7.796 -0.660 19498 1875 1 6 . 1 1 25 25 ALA N N 25 123.243 123.243 120.623 2.620 19498 1876 1 6 . 1 1 25 25 ALA HA H 25 4.480 4.480 4.715 -0.235 19498 1877 1 6 . 1 1 25 25 ALA CA C 25 50.890 50.890 51.660 -0.770 19498 1878 1 6 . 1 1 25 25 ALA CB C 25 21.655 21.655 21.708 -0.053 19498 1879 1 6 . 1 1 25 25 ALA H H 25 8.931 8.931 8.314 0.617 19498 1880 1 6 . 1 1 26 26 VAL N N 26 119.587 119.587 119.259 0.328 19498 1881 1 6 . 1 1 26 26 VAL HA H 26 4.889 4.889 4.587 0.302 19498 1882 1 6 . 1 1 26 26 VAL CA C 26 61.278 61.278 61.635 -0.357 19498 1883 1 6 . 1 1 26 26 VAL CB C 26 33.310 33.310 35.267 -1.957 19498 1884 1 6 . 1 1 26 26 VAL H H 26 7.575 7.575 8.283 -0.708 19498 1885 1 6 . 1 1 27 27 ILE N N 27 130.377 130.377 124.627 5.750 19498 1886 1 6 . 1 1 27 27 ILE HA H 27 4.489 4.489 4.859 -0.370 19498 1887 1 6 . 1 1 27 27 ILE CA C 27 60.177 60.177 60.437 -0.260 19498 1888 1 6 . 1 1 27 27 ILE CB C 27 40.019 40.019 40.816 -0.798 19498 1889 1 6 . 1 1 27 27 ILE H H 27 9.437 9.437 8.478 0.959 19498 1890 1 6 . 1 1 28 28 TYR N N 28 126.844 126.844 120.965 5.879 19498 1891 1 6 . 1 1 28 28 TYR HA H 28 5.709 5.709 5.641 0.068 19498 1892 1 6 . 1 1 28 28 TYR CA C 28 55.486 55.486 55.025 0.461 19498 1893 1 6 . 1 1 28 28 TYR CB C 28 42.019 42.019 41.288 0.731 19498 1894 1 6 . 1 1 28 28 TYR H H 28 8.531 8.531 8.238 0.293 19498 1895 1 6 . 1 1 29 29 ASP N N 29 122.875 122.875 122.610 0.265 19498 1896 1 6 . 1 1 29 29 ASP HA H 29 4.966 4.966 4.893 0.073 19498 1897 1 6 . 1 1 29 29 ASP CA C 29 53.659 53.659 53.887 -0.228 19498 1898 1 6 . 1 1 29 29 ASP CB C 29 44.660 44.660 43.633 1.027 19498 1899 1 6 . 1 1 29 29 ASP H H 29 8.614 8.614 8.737 -0.123 19498 1900 1 6 . 1 1 30 30 ASP N N 30 119.325 119.325 120.721 -1.396 19498 1901 1 6 . 1 1 30 30 ASP HA H 30 5.447 5.447 4.987 0.460 19498 1902 1 6 . 1 1 30 30 ASP CA C 30 53.501 53.501 53.480 0.021 19498 1903 1 6 . 1 1 30 30 ASP CB C 30 43.921 43.921 42.415 1.506 19498 1904 1 6 . 1 1 30 30 ASP H H 30 8.607 8.607 8.674 -0.067 19498 1905 1 6 . 1 1 31 31 TRP N N 31 120.552 120.552 126.026 -5.474 19498 1906 1 6 . 1 1 31 31 TRP HA H 31 4.615 4.615 4.232 0.383 19498 1907 1 6 . 1 1 31 31 TRP CA C 31 58.000 58.000 58.495 -0.494 19498 1908 1 6 . 1 1 31 31 TRP CB C 31 31.500 31.500 27.639 3.861 19498 1909 1 6 . 1 1 31 31 TRP H H 31 8.673 8.673 8.949 -0.276 19498 1910 1 6 . 1 1 32 32 TYR CA C 32 52.400 52.400 58.938 -6.538 19498 1911 1 6 . 1 1 32 32 TYR CB C 32 42.350 42.350 39.119 3.231 19498 1912 1 6 . 1 1 33 33 ASP CA C 33 52.400 52.400 54.221 -1.821 19498 1913 1 6 . 1 1 33 33 ASP CB C 33 42.350 42.350 40.576 1.774 19498 1914 1 6 . 1 1 34 34 ALA N N 34 126.709 126.709 122.261 4.448 19498 1915 1 6 . 1 1 34 34 ALA HA H 34 3.845 3.845 4.726 -0.881 19498 1916 1 6 . 1 1 34 34 ALA CA C 34 58.599 58.599 51.430 7.169 19498 1917 1 6 . 1 1 34 34 ALA CB C 34 18.610 18.610 20.879 -2.269 19498 1918 1 6 . 1 1 34 34 ALA H H 34 8.424 8.424 7.469 0.955 19498 1919 1 6 . 1 1 35 35 TYR N N 35 117.123 117.123 115.121 2.002 19498 1920 1 6 . 1 1 35 35 TYR HA H 35 4.350 4.350 4.617 -0.267 19498 1921 1 6 . 1 1 35 35 TYR CA C 35 60.466 60.466 58.798 1.668 19498 1922 1 6 . 1 1 35 35 TYR CB C 35 38.113 38.113 38.489 -0.376 19498 1923 1 6 . 1 1 35 35 TYR H H 35 8.334 8.334 8.406 -0.072 19498 1924 1 6 . 1 1 36 36 THR N N 36 108.046 108.046 117.534 -9.488 19498 1925 1 6 . 1 1 36 36 THR HA H 36 4.018 4.018 4.122 -0.104 19498 1926 1 6 . 1 1 36 36 THR CA C 36 61.809 61.809 60.778 1.031 19498 1927 1 6 . 1 1 36 36 THR CB C 36 69.926 69.926 67.252 2.674 19498 1928 1 6 . 1 1 36 36 THR H H 36 7.563 7.563 8.059 -0.496 19498 1929 1 6 . 1 1 37 37 ARG N N 37 118.456 118.456 121.724 -3.268 19498 1930 1 6 . 1 1 37 37 ARG CA C 37 57.001 57.001 58.464 -1.463 19498 1931 1 6 . 1 1 37 37 ARG H H 37 7.952 7.952 7.768 0.184 19498 1932 1 6 . 1 1 40 40 CYS CA C 40 56.316 56.316 56.763 -0.447 19498 1933 1 6 . 1 1 40 40 CYS CB C 40 29.999 29.999 30.161 -0.162 19498 1934 1 6 . 1 1 41 41 ILE N N 41 121.419 121.419 122.644 -1.225 19498 1935 1 6 . 1 1 41 41 ILE HA H 41 4.709 4.709 4.992 -0.283 19498 1936 1 6 . 1 1 41 41 ILE CA C 41 60.462 60.462 60.528 -0.066 19498 1937 1 6 . 1 1 41 41 ILE CB C 41 42.309 42.309 41.974 0.335 19498 1938 1 6 . 1 1 41 41 ILE H H 41 8.459 8.459 8.237 0.222 19498 1939 1 6 . 1 1 42 42 ARG N N 42 127.916 127.916 126.620 1.296 19498 1940 1 6 . 1 1 42 42 ARG CA C 42 54.501 54.501 54.326 0.175 19498 1941 1 6 . 1 1 42 42 ARG CB C 42 33.204 33.204 34.585 -1.381 19498 1942 1 6 . 1 1 42 42 ARG H H 42 9.004 9.004 8.945 0.059 19498 1943 1 6 . 1 1 43 43 LEU N N 43 124.715 124.715 126.648 -1.933 19498 1944 1 6 . 1 1 43 43 LEU HA H 43 5.538 5.538 4.948 0.590 19498 1945 1 6 . 1 1 43 43 LEU CA C 43 53.266 53.266 54.409 -1.143 19498 1946 1 6 . 1 1 43 43 LEU CB C 43 46.163 46.163 43.609 2.554 19498 1947 1 6 . 1 1 43 43 LEU H H 43 8.757 8.757 9.241 -0.484 19498 1948 1 6 . 1 1 44 44 ARG N N 44 123.499 123.499 126.090 -2.591 19498 1949 1 6 . 1 1 44 44 ARG HA H 44 5.004 5.004 4.868 0.136 19498 1950 1 6 . 1 1 44 44 ARG CA C 44 55.508 55.508 54.862 0.646 19498 1951 1 6 . 1 1 44 44 ARG CB C 44 34.543 34.543 33.049 1.494 19498 1952 1 6 . 1 1 44 44 ARG H H 44 9.366 9.366 9.448 -0.082 19498 1953 1 6 . 1 1 45 45 ILE N N 45 122.919 122.919 127.920 -5.001 19498 1954 1 6 . 1 1 45 45 ILE HA H 45 5.260 5.260 4.546 0.714 19498 1955 1 6 . 1 1 45 45 ILE CA C 45 59.933 59.933 58.951 0.982 19498 1956 1 6 . 1 1 45 45 ILE CB C 45 39.751 39.751 39.272 0.479 19498 1957 1 6 . 1 1 45 45 ILE H H 45 8.938 8.938 8.822 0.116 19498 1958 1 6 . 1 1 46 46 GLU N N 46 126.745 126.745 125.258 1.487 19498 1959 1 6 . 1 1 46 46 GLU HA H 46 5.465 5.465 4.806 0.659 19498 1960 1 6 . 1 1 46 46 GLU CA C 46 53.707 53.707 54.389 -0.682 19498 1961 1 6 . 1 1 46 46 GLU CB C 46 35.276 35.276 33.062 2.214 19498 1962 1 6 . 1 1 46 46 GLU H H 46 9.097 9.097 8.624 0.473 19498 1963 1 6 . 1 1 47 47 ASP N N 47 117.988 117.988 121.415 -3.427 19498 1964 1 6 . 1 1 47 47 ASP HA H 47 4.976 4.976 4.817 0.159 19498 1965 1 6 . 1 1 47 47 ASP CA C 47 52.411 52.411 52.880 -0.469 19498 1966 1 6 . 1 1 47 47 ASP CB C 47 41.609 41.609 43.702 -2.093 19498 1967 1 6 . 1 1 47 47 ASP H H 47 8.209 8.209 8.844 -0.635 19498 1968 1 6 . 1 1 48 48 ARG N N 48 117.098 117.098 121.375 -4.277 19498 1969 1 6 . 1 1 48 48 ARG HA H 48 4.129 4.129 4.312 -0.183 19498 1970 1 6 . 1 1 48 48 ARG CA C 48 58.323 58.323 57.308 1.015 19498 1971 1 6 . 1 1 48 48 ARG CB C 48 29.511 29.511 29.468 0.043 19498 1972 1 6 . 1 1 48 48 ARG H H 48 8.872 8.872 8.840 0.032 19498 1973 1 6 . 1 1 49 49 SER N N 49 115.006 115.006 114.436 0.570 19498 1974 1 6 . 1 1 49 49 SER HA H 49 4.614 4.614 4.593 0.021 19498 1975 1 6 . 1 1 49 49 SER CA C 49 58.411 58.411 57.919 0.492 19498 1976 1 6 . 1 1 49 49 SER CB C 49 63.806 63.806 63.062 0.744 19498 1977 1 6 . 1 1 49 49 SER H H 49 8.142 8.142 7.754 0.388 19498 1978 1 6 . 1 1 50 50 GLY N N 50 109.042 109.042 111.234 -2.192 19498 1979 1 6 . 1 1 50 50 GLY CA C 50 44.997 44.997 45.352 -0.354 19498 1980 1 6 . 1 1 50 50 GLY H H 50 8.035 8.035 7.955 0.080 19498 1981 1 6 . 1 1 51 51 ASN N N 51 119.842 119.842 118.802 1.040 19498 1982 1 6 . 1 1 51 51 ASN HA H 51 4.546 4.546 4.966 -0.420 19498 1983 1 6 . 1 1 51 51 ASN CA C 51 53.419 53.419 52.593 0.826 19498 1984 1 6 . 1 1 51 51 ASN CB C 51 38.422 38.422 40.944 -2.522 19498 1985 1 6 . 1 1 51 51 ASN H H 51 8.613 8.613 7.774 0.839 19498 1986 1 6 . 1 1 52 52 LEU N N 52 124.085 124.085 122.345 1.740 19498 1987 1 6 . 1 1 52 52 LEU HA H 52 4.142 4.142 4.583 -0.441 19498 1988 1 6 . 1 1 52 52 LEU CA C 52 56.023 56.023 55.751 0.272 19498 1989 1 6 . 1 1 52 52 LEU CB C 52 42.353 42.353 42.540 -0.187 19498 1990 1 6 . 1 1 52 52 LEU H H 52 8.631 8.631 8.493 0.138 19498 1991 1 6 . 1 1 53 53 ILE N N 53 129.362 129.362 122.085 7.277 19498 1992 1 6 . 1 1 53 53 ILE HA H 53 4.137 4.137 4.462 -0.325 19498 1993 1 6 . 1 1 53 53 ILE CA C 53 61.800 61.800 62.073 -0.273 19498 1994 1 6 . 1 1 53 53 ILE CB C 53 37.256 37.256 38.864 -1.608 19498 1995 1 6 . 1 1 53 53 ILE H H 53 9.432 9.432 8.912 0.520 19498 1996 1 6 . 1 1 54 54 ASP N N 54 113.575 113.575 117.961 -4.386 19498 1997 1 6 . 1 1 54 54 ASP HA H 54 4.847 4.847 5.044 -0.197 19498 1998 1 6 . 1 1 54 54 ASP CA C 54 53.586 53.586 54.000 -0.414 19498 1999 1 6 . 1 1 54 54 ASP CB C 54 44.500 44.500 44.738 -0.238 19498 2000 1 6 . 1 1 54 54 ASP H H 54 7.761 7.761 7.953 -0.192 19498 2001 1 6 . 1 1 55 55 THR N N 55 115.783 115.783 112.442 3.341 19498 2002 1 6 . 1 1 55 55 THR HA H 55 5.427 5.427 5.341 0.086 19498 2003 1 6 . 1 1 55 55 THR CA C 55 59.185 59.185 60.589 -1.404 19498 2004 1 6 . 1 1 55 55 THR CB C 55 70.551 70.551 72.025 -1.474 19498 2005 1 6 . 1 1 55 55 THR H H 55 10.106 10.106 8.284 1.822 19498 2006 1 6 . 1 1 56 56 SER N N 56 119.808 119.808 117.582 2.226 19498 2007 1 6 . 1 1 56 56 SER HA H 56 4.135 4.135 4.546 -0.411 19498 2008 1 6 . 1 1 56 56 SER CA C 56 58.001 58.001 57.658 0.343 19498 2009 1 6 . 1 1 56 56 SER CB C 56 65.039 65.039 64.544 0.495 19498 2010 1 6 . 1 1 56 56 SER H H 56 7.872 7.872 8.917 -1.045 19498 2011 1 6 . 1 1 57 57 THR N N 57 117.962 117.962 121.066 -3.104 19498 2012 1 6 . 1 1 57 57 THR HA H 57 4.964 4.964 4.883 0.081 19498 2013 1 6 . 1 1 57 57 THR CA C 57 61.001 61.001 61.579 -0.578 19498 2014 1 6 . 1 1 57 57 THR CB C 57 70.881 70.881 70.345 0.536 19498 2015 1 6 . 1 1 57 57 THR H H 57 7.524 7.524 7.883 -0.359 19498 2016 1 6 . 1 1 58 58 PHE N N 58 123.853 123.853 125.168 -1.315 19498 2017 1 6 . 1 1 58 58 PHE HA H 58 4.603 4.603 4.726 -0.123 19498 2018 1 6 . 1 1 58 58 PHE CA C 58 56.648 56.648 57.241 -0.593 19498 2019 1 6 . 1 1 58 58 PHE CB C 58 43.583 43.583 42.233 1.351 19498 2020 1 6 . 1 1 58 58 PHE H H 58 8.861 8.861 8.493 0.368 19498 2021 1 6 . 1 1 59 59 TYR N N 59 117.898 117.898 120.693 -2.795 19498 2022 1 6 . 1 1 59 59 TYR HA H 59 5.328 5.328 4.872 0.456 19498 2023 1 6 . 1 1 59 59 TYR CA C 59 56.221 56.221 57.596 -1.375 19498 2024 1 6 . 1 1 59 59 TYR CB C 59 42.106 42.106 40.632 1.474 19498 2025 1 6 . 1 1 59 59 TYR H H 59 8.328 8.328 8.615 -0.287 19498 2026 1 6 . 1 1 60 60 HIS CA C 60 60.065 60.065 56.250 3.815 19498 2027 1 6 . 1 1 60 60 HIS CB C 60 34.284 34.284 32.074 2.211 19498 2028 1 6 . 1 1 61 61 HIS N N 61 121.880 121.880 124.015 -2.135 19498 2029 1 6 . 1 1 61 61 HIS CA C 61 58.001 58.001 55.188 2.813 19498 2030 1 6 . 1 1 61 61 HIS CB C 61 29.999 29.999 28.094 1.905 19498 2031 1 6 . 1 1 61 61 HIS H H 61 7.734 7.734 8.302 -0.568 19498 2032 1 6 . 1 1 62 62 ASP N N 62 128.148 128.148 123.746 4.402 19498 2033 1 6 . 1 1 62 62 ASP HA H 62 4.870 4.870 4.863 0.007 19498 2034 1 6 . 1 1 62 62 ASP CA C 62 53.348 53.348 54.171 -0.823 19498 2035 1 6 . 1 1 62 62 ASP CB C 62 42.600 42.600 44.113 -1.513 19498 2036 1 6 . 1 1 62 62 ASP H H 62 11.492 11.492 8.193 3.299 19498 2037 1 6 . 1 1 63 63 GLU N N 63 126.564 126.564 125.468 1.096 19498 2038 1 6 . 1 1 63 63 GLU HA H 63 3.795 3.795 3.834 -0.039 19498 2039 1 6 . 1 1 63 63 GLU CA C 63 59.863 59.863 60.117 -0.254 19498 2040 1 6 . 1 1 63 63 GLU CB C 63 34.007 34.007 30.244 3.763 19498 2041 1 6 . 1 1 63 63 GLU H H 63 8.982 8.982 8.802 0.180 19498 2042 1 6 . 1 1 64 64 ASP N N 64 117.779 117.779 117.889 -0.110 19498 2043 1 6 . 1 1 64 64 ASP HA H 64 4.401 4.401 4.554 -0.153 19498 2044 1 6 . 1 1 64 64 ASP CA C 64 57.664 57.664 57.147 0.518 19498 2045 1 6 . 1 1 64 64 ASP CB C 64 40.369 40.369 40.619 -0.250 19498 2046 1 6 . 1 1 64 64 ASP H H 64 8.272 8.272 8.744 -0.472 19498 2047 1 6 . 1 1 65 65 VAL N N 65 121.948 121.948 119.857 2.091 19498 2048 1 6 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.736 -0.350 19498 2049 1 6 . 1 1 65 65 VAL CA C 65 65.913 65.913 65.557 0.356 19498 2050 1 6 . 1 1 65 65 VAL CB C 65 31.465 31.465 31.376 0.089 19498 2051 1 6 . 1 1 65 65 VAL H H 65 7.335 7.335 7.853 -0.518 19498 2052 1 6 . 1 1 66 66 LEU N N 66 120.747 120.747 120.698 0.049 19498 2053 1 6 . 1 1 66 66 LEU HA H 66 3.905 3.905 3.827 0.078 19498 2054 1 6 . 1 1 66 66 LEU CA C 66 58.076 58.076 57.937 0.139 19498 2055 1 6 . 1 1 66 66 LEU CB C 66 42.160 42.160 40.629 1.531 19498 2056 1 6 . 1 1 66 66 LEU H H 66 8.164 8.164 7.452 0.712 19498 2057 1 6 . 1 1 67 67 PHE N N 67 116.553 116.553 117.986 -1.433 19498 2058 1 6 . 1 1 67 67 PHE HA H 67 3.900 3.900 3.978 -0.078 19498 2059 1 6 . 1 1 67 67 PHE CA C 67 62.849 62.849 61.867 0.982 19498 2060 1 6 . 1 1 67 67 PHE CB C 67 38.003 38.003 37.724 0.279 19498 2061 1 6 . 1 1 67 67 PHE H H 67 8.350 8.350 7.390 0.960 19498 2062 1 6 . 1 1 68 68 ASN N N 68 121.020 121.020 117.564 3.456 19498 2063 1 6 . 1 1 68 68 ASN HA H 68 4.415 4.415 4.387 0.028 19498 2064 1 6 . 1 1 68 68 ASN CA C 68 56.725 56.725 56.023 0.702 19498 2065 1 6 . 1 1 68 68 ASN CB C 68 38.071 38.071 38.461 -0.390 19498 2066 1 6 . 1 1 68 68 ASN H H 68 8.001 8.001 7.848 0.153 19498 2067 1 6 . 1 1 69 69 MET N N 69 120.402 120.402 118.341 2.061 19498 2068 1 6 . 1 1 69 69 MET HA H 69 4.011 4.011 4.124 -0.113 19498 2069 1 6 . 1 1 69 69 MET CA C 69 59.605 59.605 59.227 0.378 19498 2070 1 6 . 1 1 69 69 MET CB C 69 31.867 31.867 32.532 -0.665 19498 2071 1 6 . 1 1 69 69 MET H H 69 8.465 8.465 7.604 0.861 19498 2072 1 6 . 1 1 70 70 CYS N N 70 117.496 117.496 116.725 0.771 19498 2073 1 6 . 1 1 70 70 CYS CA C 70 63.145 63.145 63.436 -0.291 19498 2074 1 6 . 1 1 70 70 CYS CB C 70 27.510 27.510 27.271 0.239 19498 2075 1 6 . 1 1 70 70 CYS H H 70 7.616 7.616 7.563 0.053 19498 2076 1 6 . 1 1 71 71 THR N N 71 118.640 118.640 115.005 3.635 19498 2077 1 6 . 1 1 71 71 THR HA H 71 4.270 4.270 4.029 0.241 19498 2078 1 6 . 1 1 71 71 THR CA C 71 67.980 67.980 65.807 2.173 19498 2079 1 6 . 1 1 71 71 THR CB C 71 67.949 67.949 68.380 -0.431 19498 2080 1 6 . 1 1 71 71 THR H H 71 8.509 8.509 7.804 0.705 19498 2081 1 6 . 1 1 72 72 ASP HA H 72 4.430 4.430 4.396 0.034 19498 2082 1 6 . 1 1 72 72 ASP CA C 72 57.590 57.590 57.703 -0.113 19498 2083 1 6 . 1 1 72 72 ASP CB C 72 40.415 40.415 40.843 -0.428 19498 2084 1 6 . 1 1 73 73 TRP N N 73 121.657 121.657 121.135 0.522 19498 2085 1 6 . 1 1 73 73 TRP HA H 73 4.407 4.407 4.368 0.039 19498 2086 1 6 . 1 1 73 73 TRP CA C 73 62.951 62.951 60.980 1.971 19498 2087 1 6 . 1 1 73 73 TRP CB C 73 29.114 29.114 29.558 -0.444 19498 2088 1 6 . 1 1 73 73 TRP H H 73 7.780 7.780 7.869 -0.089 19498 2089 1 6 . 1 1 74 74 LEU N N 74 118.727 118.727 117.308 1.419 19498 2090 1 6 . 1 1 74 74 LEU HA H 74 3.582 3.582 3.887 -0.305 19498 2091 1 6 . 1 1 74 74 LEU CA C 74 58.184 58.184 57.889 0.294 19498 2092 1 6 . 1 1 74 74 LEU CB C 74 37.610 37.610 41.487 -3.877 19498 2093 1 6 . 1 1 74 74 LEU H H 74 8.490 8.490 7.567 0.923 19498 2094 1 6 . 1 1 75 75 ASN N N 75 117.962 117.962 115.064 2.898 19498 2095 1 6 . 1 1 75 75 ASN HA H 75 4.527 4.527 4.532 -0.005 19498 2096 1 6 . 1 1 75 75 ASN CA C 75 56.501 56.501 54.645 1.856 19498 2097 1 6 . 1 1 75 75 ASN CB C 75 37.999 37.999 38.562 -0.563 19498 2098 1 6 . 1 1 75 75 ASN H H 75 8.639 8.639 7.776 0.864 19498 2099 1 6 . 1 1 76 76 HIS N N 76 120.823 120.823 120.172 0.651 19498 2100 1 6 . 1 1 76 76 HIS HA H 76 4.450 4.450 4.182 0.268 19498 2101 1 6 . 1 1 76 76 HIS CA C 76 58.737 58.737 59.555 -0.818 19498 2102 1 6 . 1 1 76 76 HIS CB C 76 28.007 28.007 29.853 -1.846 19498 2103 1 6 . 1 1 76 76 HIS H H 76 8.158 8.158 7.465 0.693 19498 2104 1 6 . 1 1 77 77 MET N N 77 118.749 118.749 115.274 3.475 19498 2105 1 6 . 1 1 77 77 MET HA H 77 4.071 4.071 3.731 0.340 19498 2106 1 6 . 1 1 77 77 MET CA C 77 55.827 55.827 58.188 -2.361 19498 2107 1 6 . 1 1 77 77 MET CB C 77 29.541 29.541 31.726 -2.185 19498 2108 1 6 . 1 1 77 77 MET H H 77 8.404 8.404 7.265 1.139 19498 2109 1 6 . 1 1 78 78 TYR N N 78 120.762 120.762 118.605 2.157 19498 2110 1 6 . 1 1 78 78 TYR HA H 78 3.662 3.662 3.956 -0.294 19498 2111 1 6 . 1 1 78 78 TYR CA C 78 62.640 62.640 61.645 0.995 19498 2112 1 6 . 1 1 78 78 TYR CB C 78 37.545 37.545 37.430 0.115 19498 2113 1 6 . 1 1 78 78 TYR H H 78 8.322 8.322 7.619 0.703 19498 2114 1 6 . 1 1 79 79 ASP N N 79 116.578 116.578 116.615 -0.037 19498 2115 1 6 . 1 1 79 79 ASP HA H 79 4.106 4.106 4.344 -0.238 19498 2116 1 6 . 1 1 79 79 ASP CA C 79 57.410 57.410 56.967 0.444 19498 2117 1 6 . 1 1 79 79 ASP CB C 79 40.503 40.503 40.625 -0.122 19498 2118 1 6 . 1 1 79 79 ASP H H 79 7.460 7.460 8.277 -0.817 19498 2119 1 6 . 1 1 80 80 GLN N N 80 116.175 116.175 117.364 -1.189 19498 2120 1 6 . 1 1 80 80 GLN HA H 80 4.056 4.056 4.185 -0.129 19498 2121 1 6 . 1 1 80 80 GLN CA C 80 57.629 57.629 57.803 -0.174 19498 2122 1 6 . 1 1 80 80 GLN CB C 80 29.662 29.662 29.303 0.359 19498 2123 1 6 . 1 1 80 80 GLN H H 80 7.552 7.552 7.320 0.232 19498 2124 1 6 . 1 1 81 81 LEU N N 81 118.398 118.398 117.368 1.030 19498 2125 1 6 . 1 1 81 81 LEU HA H 81 4.233 4.233 3.525 0.708 19498 2126 1 6 . 1 1 81 81 LEU CA C 81 55.461 55.461 56.108 -0.648 19498 2127 1 6 . 1 1 81 81 LEU CB C 81 42.406 42.406 41.483 0.923 19498 2128 1 6 . 1 1 81 81 LEU H H 81 7.957 7.957 7.248 0.709 19498 2129 1 6 . 1 1 82 82 LYS N N 82 119.114 119.114 117.907 1.207 19498 2130 1 6 . 1 1 82 82 LYS HA H 82 3.841 3.841 3.920 -0.079 19498 2131 1 6 . 1 1 82 82 LYS CA C 82 58.510 58.510 58.769 -0.259 19498 2132 1 6 . 1 1 82 82 LYS CB C 82 30.922 30.922 32.139 -1.217 19498 2133 1 6 . 1 1 82 82 LYS H H 82 7.664 7.664 7.359 0.305 19498 2134 1 6 . 1 1 83 83 ASP N N 83 118.655 118.655 117.378 1.277 19498 2135 1 6 . 1 1 83 83 ASP HA H 83 4.819 4.819 4.510 0.309 19498 2136 1 6 . 1 1 83 83 ASP CA C 83 53.886 53.886 56.119 -2.233 19498 2137 1 6 . 1 1 83 83 ASP CB C 83 40.986 40.986 41.472 -0.486 19498 2138 1 6 . 1 1 83 83 ASP H H 83 7.862 7.862 7.903 -0.041 19498 2139 1 6 . 1 1 84 84 TRP N N 84 121.757 121.757 118.937 2.820 19498 2140 1 6 . 1 1 84 84 TRP CA C 84 58.462 58.462 54.988 3.474 19498 2141 1 6 . 1 1 84 84 TRP CB C 84 28.934 28.934 28.143 0.791 19498 2142 1 6 . 1 1 84 84 TRP H H 84 7.925 7.925 7.064 0.861 19498 2143 1 7 . 1 1 6 6 SER CA C 6 56.008 56.008 57.481 -1.473 19498 2144 1 7 . 1 1 7 7 GLY N N 7 109.496 109.496 108.892 0.604 19498 2145 1 7 . 1 1 7 7 GLY CA C 7 46.042 46.042 45.562 0.480 19498 2146 1 7 . 1 1 7 7 GLY H H 7 8.432 8.432 8.680 -0.248 19498 2147 1 7 . 1 1 8 8 ASN N N 8 119.432 119.432 118.957 0.475 19498 2148 1 7 . 1 1 8 8 ASN HA H 8 4.685 4.685 4.591 0.094 19498 2149 1 7 . 1 1 8 8 ASN CA C 8 53.922 53.922 53.567 0.355 19498 2150 1 7 . 1 1 8 8 ASN CB C 8 37.970 37.970 38.204 -0.234 19498 2151 1 7 . 1 1 8 8 ASN H H 8 8.367 8.367 8.049 0.318 19498 2152 1 7 . 1 1 9 9 LEU N N 9 123.537 123.537 120.397 3.140 19498 2153 1 7 . 1 1 9 9 LEU HA H 9 3.984 3.984 3.939 0.045 19498 2154 1 7 . 1 1 9 9 LEU CA C 9 56.417 56.417 55.090 1.327 19498 2155 1 7 . 1 1 9 9 LEU CB C 9 41.566 41.566 40.998 0.568 19498 2156 1 7 . 1 1 9 9 LEU H H 9 7.922 7.922 7.970 -0.048 19498 2157 1 7 . 1 1 10 10 ALA N N 10 122.287 122.287 123.807 -1.520 19498 2158 1 7 . 1 1 10 10 ALA HA H 10 4.127 4.127 4.032 0.095 19498 2159 1 7 . 1 1 10 10 ALA CA C 10 55.912 55.912 54.976 0.936 19498 2160 1 7 . 1 1 10 10 ALA CB C 10 17.998 17.998 18.399 -0.401 19498 2161 1 7 . 1 1 10 10 ALA H H 10 8.064 8.064 8.001 0.063 19498 2162 1 7 . 1 1 11 11 ALA N N 11 121.326 121.326 120.065 1.261 19498 2163 1 7 . 1 1 11 11 ALA HA H 11 4.207 4.207 4.116 0.091 19498 2164 1 7 . 1 1 11 11 ALA CA C 11 54.960 54.960 54.469 0.490 19498 2165 1 7 . 1 1 11 11 ALA CB C 11 17.998 17.998 18.241 -0.243 19498 2166 1 7 . 1 1 11 11 ALA H H 11 8.143 8.143 8.149 -0.006 19498 2167 1 7 . 1 1 12 12 PHE N N 12 122.913 122.913 119.818 3.095 19498 2168 1 7 . 1 1 12 12 PHE HA H 12 4.411 4.411 4.105 0.306 19498 2169 1 7 . 1 1 12 12 PHE CA C 12 61.007 61.007 61.221 -0.214 19498 2170 1 7 . 1 1 12 12 PHE CB C 12 39.499 39.499 39.067 0.432 19498 2171 1 7 . 1 1 12 12 PHE H H 12 7.779 7.779 8.264 -0.485 19498 2172 1 7 . 1 1 13 13 LYS N N 13 120.689 120.689 118.487 2.202 19498 2173 1 7 . 1 1 13 13 LYS HA H 13 3.861 3.861 4.025 -0.164 19498 2174 1 7 . 1 1 13 13 LYS CA C 13 59.099 59.099 59.325 -0.226 19498 2175 1 7 . 1 1 13 13 LYS CB C 13 31.867 31.867 32.110 -0.243 19498 2176 1 7 . 1 1 13 13 LYS H H 13 8.614 8.614 8.673 -0.059 19498 2177 1 7 . 1 1 14 14 ALA N N 14 122.076 122.076 121.430 0.646 19498 2178 1 7 . 1 1 14 14 ALA HA H 14 3.182 3.182 4.142 -0.960 19498 2179 1 7 . 1 1 14 14 ALA CA C 14 55.108 55.108 54.542 0.566 19498 2180 1 7 . 1 1 14 14 ALA CB C 14 18.120 18.120 17.998 0.122 19498 2181 1 7 . 1 1 14 14 ALA H H 14 8.178 8.178 7.582 0.596 19498 2182 1 7 . 1 1 15 15 ALA N N 15 121.714 121.714 119.774 1.940 19498 2183 1 7 . 1 1 15 15 ALA HA H 15 4.040 4.040 3.953 0.087 19498 2184 1 7 . 1 1 15 15 ALA CA C 15 55.158 55.158 54.176 0.982 19498 2185 1 7 . 1 1 15 15 ALA CB C 15 19.042 19.042 18.126 0.916 19498 2186 1 7 . 1 1 15 15 ALA H H 15 7.793 7.793 7.473 0.320 19498 2187 1 7 . 1 1 16 16 THR N N 16 111.959 111.959 114.174 -2.215 19498 2188 1 7 . 1 1 16 16 THR HA H 16 3.705 3.705 3.852 -0.147 19498 2189 1 7 . 1 1 16 16 THR CA C 16 66.762 66.762 67.030 -0.268 19498 2190 1 7 . 1 1 16 16 THR CB C 16 68.213 68.213 68.386 -0.173 19498 2191 1 7 . 1 1 16 16 THR H H 16 8.133 8.133 7.794 0.339 19498 2192 1 7 . 1 1 17 17 ASN N N 17 121.090 121.090 118.267 2.823 19498 2193 1 7 . 1 1 17 17 ASN HA H 17 4.520 4.520 4.852 -0.332 19498 2194 1 7 . 1 1 17 17 ASN CA C 17 56.191 56.191 55.743 0.448 19498 2195 1 7 . 1 1 17 17 ASN CB C 17 38.365 38.365 38.565 -0.200 19498 2196 1 7 . 1 1 17 17 ASN H H 17 8.152 8.152 8.014 0.138 19498 2197 1 7 . 1 1 18 18 LYS N N 18 119.978 119.978 120.166 -0.188 19498 2198 1 7 . 1 1 18 18 LYS HA H 18 3.914 3.914 4.199 -0.285 19498 2199 1 7 . 1 1 18 18 LYS CA C 18 59.865 59.865 57.754 2.111 19498 2200 1 7 . 1 1 18 18 LYS CB C 18 30.999 30.999 31.974 -0.975 19498 2201 1 7 . 1 1 18 18 LYS H H 18 7.568 7.568 7.464 0.104 19498 2202 1 7 . 1 1 19 19 LEU N N 19 117.558 117.558 119.895 -2.337 19498 2203 1 7 . 1 1 19 19 LEU HA H 19 4.135 4.135 4.020 0.115 19498 2204 1 7 . 1 1 19 19 LEU CA C 19 58.001 58.001 57.621 0.380 19498 2205 1 7 . 1 1 19 19 LEU CB C 19 40.823 40.823 41.445 -0.622 19498 2206 1 7 . 1 1 19 19 LEU H H 19 7.001 7.001 7.656 -0.655 19498 2207 1 7 . 1 1 20 20 PHE N N 20 121.123 121.123 115.786 5.337 19498 2208 1 7 . 1 1 20 20 PHE HA H 20 4.873 4.873 4.182 0.691 19498 2209 1 7 . 1 1 20 20 PHE CA C 20 60.375 60.375 61.049 -0.674 19498 2210 1 7 . 1 1 20 20 PHE CB C 20 38.480 38.480 38.260 0.220 19498 2211 1 7 . 1 1 20 20 PHE H H 20 8.193 8.193 7.360 0.833 19498 2212 1 7 . 1 1 21 21 GLN N N 21 118.591 118.591 114.922 3.669 19498 2213 1 7 . 1 1 21 21 GLN HA H 21 4.208 4.208 4.219 -0.011 19498 2214 1 7 . 1 1 21 21 GLN CA C 21 58.055 58.055 57.176 0.879 19498 2215 1 7 . 1 1 21 21 GLN CB C 21 28.284 28.284 29.117 -0.833 19498 2216 1 7 . 1 1 21 21 GLN H H 21 7.918 7.918 7.919 -0.001 19498 2217 1 7 . 1 1 22 22 LEU N N 22 118.477 118.477 117.408 1.069 19498 2218 1 7 . 1 1 22 22 LEU HA H 22 4.534 4.534 4.505 0.029 19498 2219 1 7 . 1 1 22 22 LEU CA C 22 54.033 54.033 54.076 -0.043 19498 2220 1 7 . 1 1 22 22 LEU CB C 22 41.469 41.469 43.729 -2.260 19498 2221 1 7 . 1 1 22 22 LEU H H 22 7.561 7.561 7.517 0.044 19498 2222 1 7 . 1 1 23 23 ASP N N 23 115.410 115.410 117.616 -2.206 19498 2223 1 7 . 1 1 23 23 ASP HA H 23 4.280 4.280 4.301 -0.021 19498 2224 1 7 . 1 1 23 23 ASP CA C 23 55.494 55.494 55.513 -0.019 19498 2225 1 7 . 1 1 23 23 ASP CB C 23 39.317 39.317 38.567 0.750 19498 2226 1 7 . 1 1 23 23 ASP H H 23 8.163 8.163 7.883 0.280 19498 2227 1 7 . 1 1 24 24 LEU N N 24 116.367 116.367 114.110 2.257 19498 2228 1 7 . 1 1 24 24 LEU HA H 24 4.790 4.790 4.720 0.070 19498 2229 1 7 . 1 1 24 24 LEU CA C 24 53.030 53.030 53.241 -0.211 19498 2230 1 7 . 1 1 24 24 LEU CB C 24 43.867 43.867 43.477 0.390 19498 2231 1 7 . 1 1 24 24 LEU H H 24 7.136 7.136 7.381 -0.245 19498 2232 1 7 . 1 1 25 25 ALA N N 25 123.243 123.243 121.127 2.116 19498 2233 1 7 . 1 1 25 25 ALA HA H 25 4.480 4.480 4.730 -0.250 19498 2234 1 7 . 1 1 25 25 ALA CA C 25 50.890 50.890 51.252 -0.362 19498 2235 1 7 . 1 1 25 25 ALA CB C 25 21.655 21.655 21.586 0.069 19498 2236 1 7 . 1 1 25 25 ALA H H 25 8.931 8.931 8.484 0.447 19498 2237 1 7 . 1 1 26 26 VAL N N 26 119.587 119.587 119.397 0.190 19498 2238 1 7 . 1 1 26 26 VAL HA H 26 4.889 4.889 4.658 0.231 19498 2239 1 7 . 1 1 26 26 VAL CA C 26 61.278 61.278 61.301 -0.023 19498 2240 1 7 . 1 1 26 26 VAL CB C 26 33.310 33.310 35.086 -1.776 19498 2241 1 7 . 1 1 26 26 VAL H H 26 7.575 7.575 8.228 -0.653 19498 2242 1 7 . 1 1 27 27 ILE N N 27 130.377 130.377 122.913 7.464 19498 2243 1 7 . 1 1 27 27 ILE HA H 27 4.489 4.489 4.740 -0.251 19498 2244 1 7 . 1 1 27 27 ILE CA C 27 60.177 60.177 60.601 -0.424 19498 2245 1 7 . 1 1 27 27 ILE CB C 27 40.019 40.019 40.666 -0.647 19498 2246 1 7 . 1 1 27 27 ILE H H 27 9.437 9.437 8.571 0.866 19498 2247 1 7 . 1 1 28 28 TYR N N 28 126.844 126.844 121.373 5.471 19498 2248 1 7 . 1 1 28 28 TYR HA H 28 5.709 5.709 5.811 -0.102 19498 2249 1 7 . 1 1 28 28 TYR CA C 28 55.486 55.486 55.088 0.398 19498 2250 1 7 . 1 1 28 28 TYR CB C 28 42.019 42.019 41.072 0.947 19498 2251 1 7 . 1 1 28 28 TYR H H 28 8.531 8.531 8.073 0.458 19498 2252 1 7 . 1 1 29 29 ASP N N 29 122.875 122.875 123.266 -0.391 19498 2253 1 7 . 1 1 29 29 ASP HA H 29 4.966 4.966 4.994 -0.028 19498 2254 1 7 . 1 1 29 29 ASP CA C 29 53.659 53.659 53.934 -0.275 19498 2255 1 7 . 1 1 29 29 ASP CB C 29 44.660 44.660 43.670 0.990 19498 2256 1 7 . 1 1 29 29 ASP H H 29 8.614 8.614 8.837 -0.223 19498 2257 1 7 . 1 1 30 30 ASP N N 30 119.325 119.325 121.212 -1.887 19498 2258 1 7 . 1 1 30 30 ASP HA H 30 5.447 5.447 4.925 0.522 19498 2259 1 7 . 1 1 30 30 ASP CA C 30 53.501 53.501 54.133 -0.631 19498 2260 1 7 . 1 1 30 30 ASP CB C 30 43.921 43.921 42.801 1.120 19498 2261 1 7 . 1 1 30 30 ASP H H 30 8.607 8.607 8.660 -0.053 19498 2262 1 7 . 1 1 31 31 TRP N N 31 120.552 120.552 125.785 -5.233 19498 2263 1 7 . 1 1 31 31 TRP HA H 31 4.615 4.615 4.668 -0.053 19498 2264 1 7 . 1 1 31 31 TRP CA C 31 58.000 58.000 58.467 -0.467 19498 2265 1 7 . 1 1 31 31 TRP CB C 31 31.500 31.500 30.702 0.798 19498 2266 1 7 . 1 1 31 31 TRP H H 31 8.673 8.673 8.719 -0.046 19498 2267 1 7 . 1 1 32 32 TYR CA C 32 52.400 52.400 57.556 -5.157 19498 2268 1 7 . 1 1 32 32 TYR CB C 32 42.350 42.350 38.959 3.391 19498 2269 1 7 . 1 1 33 33 ASP CA C 33 52.400 52.400 53.586 -1.186 19498 2270 1 7 . 1 1 33 33 ASP CB C 33 42.350 42.350 41.933 0.417 19498 2271 1 7 . 1 1 34 34 ALA N N 34 126.709 126.709 120.615 6.094 19498 2272 1 7 . 1 1 34 34 ALA HA H 34 3.845 3.845 4.414 -0.569 19498 2273 1 7 . 1 1 34 34 ALA CA C 34 58.599 58.599 52.178 6.421 19498 2274 1 7 . 1 1 34 34 ALA CB C 34 18.610 18.610 18.997 -0.387 19498 2275 1 7 . 1 1 34 34 ALA H H 34 8.424 8.424 8.192 0.232 19498 2276 1 7 . 1 1 35 35 TYR N N 35 117.123 117.123 122.786 -5.663 19498 2277 1 7 . 1 1 35 35 TYR HA H 35 4.350 4.350 4.236 0.114 19498 2278 1 7 . 1 1 35 35 TYR CA C 35 60.466 60.466 60.533 -0.067 19498 2279 1 7 . 1 1 35 35 TYR CB C 35 38.113 38.113 39.005 -0.892 19498 2280 1 7 . 1 1 35 35 TYR H H 35 8.334 8.334 8.651 -0.317 19498 2281 1 7 . 1 1 36 36 THR N N 36 108.046 108.046 108.454 -0.408 19498 2282 1 7 . 1 1 36 36 THR HA H 36 4.018 4.018 4.207 -0.189 19498 2283 1 7 . 1 1 36 36 THR CA C 36 61.809 61.809 60.696 1.113 19498 2284 1 7 . 1 1 36 36 THR CB C 36 69.926 69.926 68.471 1.455 19498 2285 1 7 . 1 1 36 36 THR H H 36 7.563 7.563 7.958 -0.395 19498 2286 1 7 . 1 1 37 37 ARG N N 37 118.456 118.456 119.064 -0.608 19498 2287 1 7 . 1 1 37 37 ARG CA C 37 57.001 57.001 56.626 0.375 19498 2288 1 7 . 1 1 37 37 ARG H H 37 7.952 7.952 7.387 0.565 19498 2289 1 7 . 1 1 40 40 CYS CA C 40 56.316 56.316 56.755 -0.439 19498 2290 1 7 . 1 1 40 40 CYS CB C 40 29.999 29.999 30.127 -0.127 19498 2291 1 7 . 1 1 41 41 ILE N N 41 121.419 121.419 124.442 -3.023 19498 2292 1 7 . 1 1 41 41 ILE HA H 41 4.709 4.709 4.777 -0.068 19498 2293 1 7 . 1 1 41 41 ILE CA C 41 60.462 60.462 60.420 0.042 19498 2294 1 7 . 1 1 41 41 ILE CB C 41 42.309 42.309 41.717 0.592 19498 2295 1 7 . 1 1 41 41 ILE H H 41 8.459 8.459 9.189 -0.730 19498 2296 1 7 . 1 1 42 42 ARG N N 42 127.916 127.916 126.431 1.485 19498 2297 1 7 . 1 1 42 42 ARG CA C 42 54.501 54.501 54.911 -0.410 19498 2298 1 7 . 1 1 42 42 ARG CB C 42 33.204 33.204 32.663 0.541 19498 2299 1 7 . 1 1 42 42 ARG H H 42 9.004 9.004 8.815 0.189 19498 2300 1 7 . 1 1 43 43 LEU N N 43 124.715 124.715 126.247 -1.532 19498 2301 1 7 . 1 1 43 43 LEU HA H 43 5.538 5.538 4.939 0.599 19498 2302 1 7 . 1 1 43 43 LEU CA C 43 53.266 53.266 54.058 -0.792 19498 2303 1 7 . 1 1 43 43 LEU CB C 43 46.163 46.163 44.520 1.643 19498 2304 1 7 . 1 1 43 43 LEU H H 43 8.757 8.757 8.458 0.299 19498 2305 1 7 . 1 1 44 44 ARG N N 44 123.499 123.499 127.268 -3.769 19498 2306 1 7 . 1 1 44 44 ARG HA H 44 5.004 5.004 4.700 0.304 19498 2307 1 7 . 1 1 44 44 ARG CA C 44 55.508 55.508 54.586 0.922 19498 2308 1 7 . 1 1 44 44 ARG CB C 44 34.543 34.543 33.093 1.450 19498 2309 1 7 . 1 1 44 44 ARG H H 44 9.366 9.366 9.259 0.107 19498 2310 1 7 . 1 1 45 45 ILE N N 45 122.919 122.919 127.300 -4.381 19498 2311 1 7 . 1 1 45 45 ILE HA H 45 5.260 5.260 4.541 0.719 19498 2312 1 7 . 1 1 45 45 ILE CA C 45 59.933 59.933 59.130 0.803 19498 2313 1 7 . 1 1 45 45 ILE CB C 45 39.751 39.751 38.873 0.878 19498 2314 1 7 . 1 1 45 45 ILE H H 45 8.938 8.938 8.067 0.871 19498 2315 1 7 . 1 1 46 46 GLU N N 46 126.745 126.745 124.132 2.613 19498 2316 1 7 . 1 1 46 46 GLU HA H 46 5.465 5.465 4.704 0.761 19498 2317 1 7 . 1 1 46 46 GLU CA C 46 53.707 53.707 55.120 -1.413 19498 2318 1 7 . 1 1 46 46 GLU CB C 46 35.276 35.276 34.211 1.065 19498 2319 1 7 . 1 1 46 46 GLU H H 46 9.097 9.097 8.706 0.391 19498 2320 1 7 . 1 1 47 47 ASP N N 47 117.988 117.988 120.600 -2.612 19498 2321 1 7 . 1 1 47 47 ASP HA H 47 4.976 4.976 4.790 0.186 19498 2322 1 7 . 1 1 47 47 ASP CA C 47 52.411 52.411 52.951 -0.540 19498 2323 1 7 . 1 1 47 47 ASP CB C 47 41.609 41.609 42.592 -0.983 19498 2324 1 7 . 1 1 47 47 ASP H H 47 8.209 8.209 8.686 -0.477 19498 2325 1 7 . 1 1 48 48 ARG N N 48 117.098 117.098 121.481 -4.383 19498 2326 1 7 . 1 1 48 48 ARG HA H 48 4.129 4.129 4.478 -0.349 19498 2327 1 7 . 1 1 48 48 ARG CA C 48 58.323 58.323 56.468 1.855 19498 2328 1 7 . 1 1 48 48 ARG CB C 48 29.511 29.511 29.559 -0.048 19498 2329 1 7 . 1 1 48 48 ARG H H 48 8.872 8.872 8.628 0.244 19498 2330 1 7 . 1 1 49 49 SER N N 49 115.006 115.006 115.586 -0.580 19498 2331 1 7 . 1 1 49 49 SER HA H 49 4.614 4.614 4.590 0.024 19498 2332 1 7 . 1 1 49 49 SER CA C 49 58.411 58.411 58.499 -0.088 19498 2333 1 7 . 1 1 49 49 SER CB C 49 63.806 63.806 63.236 0.570 19498 2334 1 7 . 1 1 49 49 SER H H 49 8.142 8.142 8.021 0.121 19498 2335 1 7 . 1 1 50 50 GLY N N 50 109.042 109.042 111.055 -2.013 19498 2336 1 7 . 1 1 50 50 GLY CA C 50 44.997 44.997 45.553 -0.556 19498 2337 1 7 . 1 1 50 50 GLY H H 50 8.035 8.035 8.600 -0.565 19498 2338 1 7 . 1 1 51 51 ASN N N 51 119.842 119.842 118.411 1.431 19498 2339 1 7 . 1 1 51 51 ASN HA H 51 4.546 4.546 4.916 -0.370 19498 2340 1 7 . 1 1 51 51 ASN CA C 51 53.419 53.419 52.608 0.812 19498 2341 1 7 . 1 1 51 51 ASN CB C 51 38.422 38.422 40.300 -1.878 19498 2342 1 7 . 1 1 51 51 ASN H H 51 8.613 8.613 8.205 0.408 19498 2343 1 7 . 1 1 52 52 LEU N N 52 124.085 124.085 121.644 2.441 19498 2344 1 7 . 1 1 52 52 LEU HA H 52 4.142 4.142 4.575 -0.433 19498 2345 1 7 . 1 1 52 52 LEU CA C 52 56.023 56.023 55.727 0.296 19498 2346 1 7 . 1 1 52 52 LEU CB C 52 42.353 42.353 42.520 -0.167 19498 2347 1 7 . 1 1 52 52 LEU H H 52 8.631 8.631 8.360 0.271 19498 2348 1 7 . 1 1 53 53 ILE N N 53 129.362 129.362 121.423 7.939 19498 2349 1 7 . 1 1 53 53 ILE HA H 53 4.137 4.137 4.307 -0.170 19498 2350 1 7 . 1 1 53 53 ILE CA C 53 61.800 61.800 61.651 0.149 19498 2351 1 7 . 1 1 53 53 ILE CB C 53 37.256 37.256 38.937 -1.681 19498 2352 1 7 . 1 1 53 53 ILE H H 53 9.432 9.432 8.517 0.915 19498 2353 1 7 . 1 1 54 54 ASP N N 54 113.575 113.575 118.109 -4.534 19498 2354 1 7 . 1 1 54 54 ASP HA H 54 4.847 4.847 4.912 -0.065 19498 2355 1 7 . 1 1 54 54 ASP CA C 54 53.586 53.586 54.236 -0.650 19498 2356 1 7 . 1 1 54 54 ASP CB C 54 44.500 44.500 44.073 0.427 19498 2357 1 7 . 1 1 54 54 ASP H H 54 7.761 7.761 8.003 -0.242 19498 2358 1 7 . 1 1 55 55 THR N N 55 115.783 115.783 112.329 3.454 19498 2359 1 7 . 1 1 55 55 THR HA H 55 5.427 5.427 4.679 0.748 19498 2360 1 7 . 1 1 55 55 THR CA C 55 59.185 59.185 61.325 -2.140 19498 2361 1 7 . 1 1 55 55 THR CB C 55 70.551 70.551 71.615 -1.064 19498 2362 1 7 . 1 1 55 55 THR H H 55 10.106 10.106 8.333 1.773 19498 2363 1 7 . 1 1 56 56 SER N N 56 119.808 119.808 118.210 1.598 19498 2364 1 7 . 1 1 56 56 SER HA H 56 4.135 4.135 4.428 -0.293 19498 2365 1 7 . 1 1 56 56 SER CA C 56 58.001 58.001 57.415 0.586 19498 2366 1 7 . 1 1 56 56 SER CB C 56 65.039 65.039 64.297 0.742 19498 2367 1 7 . 1 1 56 56 SER H H 56 7.872 7.872 8.255 -0.383 19498 2368 1 7 . 1 1 57 57 THR N N 57 117.962 117.962 120.464 -2.502 19498 2369 1 7 . 1 1 57 57 THR HA H 57 4.964 4.964 4.530 0.434 19498 2370 1 7 . 1 1 57 57 THR CA C 57 61.001 61.001 62.009 -1.008 19498 2371 1 7 . 1 1 57 57 THR CB C 57 70.881 70.881 70.669 0.212 19498 2372 1 7 . 1 1 57 57 THR H H 57 7.524 7.524 8.108 -0.584 19498 2373 1 7 . 1 1 58 58 PHE N N 58 123.853 123.853 127.194 -3.341 19498 2374 1 7 . 1 1 58 58 PHE HA H 58 4.603 4.603 4.825 -0.222 19498 2375 1 7 . 1 1 58 58 PHE CA C 58 56.648 56.648 57.322 -0.674 19498 2376 1 7 . 1 1 58 58 PHE CB C 58 43.583 43.583 41.011 2.572 19498 2377 1 7 . 1 1 58 58 PHE H H 58 8.861 8.861 9.190 -0.329 19498 2378 1 7 . 1 1 59 59 TYR N N 59 117.898 117.898 121.100 -3.202 19498 2379 1 7 . 1 1 59 59 TYR HA H 59 5.328 5.328 5.490 -0.162 19498 2380 1 7 . 1 1 59 59 TYR CA C 59 56.221 56.221 55.133 1.088 19498 2381 1 7 . 1 1 59 59 TYR CB C 59 42.106 42.106 40.003 2.103 19498 2382 1 7 . 1 1 59 59 TYR H H 59 8.328 8.328 8.735 -0.406 19498 2383 1 7 . 1 1 60 60 HIS CA C 60 60.065 60.065 56.487 3.578 19498 2384 1 7 . 1 1 60 60 HIS CB C 60 34.284 34.284 32.729 1.555 19498 2385 1 7 . 1 1 61 61 HIS N N 61 121.880 121.880 122.604 -0.724 19498 2386 1 7 . 1 1 61 61 HIS CA C 61 58.001 58.001 54.689 3.312 19498 2387 1 7 . 1 1 61 61 HIS CB C 61 29.999 29.999 28.431 1.568 19498 2388 1 7 . 1 1 61 61 HIS H H 61 7.734 7.734 8.263 -0.529 19498 2389 1 7 . 1 1 62 62 ASP N N 62 128.148 128.148 124.742 3.406 19498 2390 1 7 . 1 1 62 62 ASP HA H 62 4.870 4.870 4.917 -0.047 19498 2391 1 7 . 1 1 62 62 ASP CA C 62 53.348 53.348 53.694 -0.346 19498 2392 1 7 . 1 1 62 62 ASP CB C 62 42.600 42.600 43.450 -0.850 19498 2393 1 7 . 1 1 62 62 ASP H H 62 11.492 11.492 8.003 3.489 19498 2394 1 7 . 1 1 63 63 GLU N N 63 126.564 126.564 126.167 0.397 19498 2395 1 7 . 1 1 63 63 GLU HA H 63 3.795 3.795 3.982 -0.187 19498 2396 1 7 . 1 1 63 63 GLU CA C 63 59.863 59.863 60.052 -0.189 19498 2397 1 7 . 1 1 63 63 GLU CB C 63 34.007 34.007 29.853 4.154 19498 2398 1 7 . 1 1 63 63 GLU H H 63 8.982 8.982 8.791 0.191 19498 2399 1 7 . 1 1 64 64 ASP N N 64 117.779 117.779 119.567 -1.788 19498 2400 1 7 . 1 1 64 64 ASP HA H 64 4.401 4.401 4.530 -0.129 19498 2401 1 7 . 1 1 64 64 ASP CA C 64 57.664 57.664 57.005 0.659 19498 2402 1 7 . 1 1 64 64 ASP CB C 64 40.369 40.369 40.912 -0.543 19498 2403 1 7 . 1 1 64 64 ASP H H 64 8.272 8.272 7.985 0.287 19498 2404 1 7 . 1 1 65 65 VAL N N 65 121.948 121.948 120.720 1.228 19498 2405 1 7 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.708 -0.322 19498 2406 1 7 . 1 1 65 65 VAL CA C 65 65.913 65.913 65.599 0.314 19498 2407 1 7 . 1 1 65 65 VAL CB C 65 31.465 31.465 31.893 -0.428 19498 2408 1 7 . 1 1 65 65 VAL H H 65 7.335 7.335 8.259 -0.924 19498 2409 1 7 . 1 1 66 66 LEU N N 66 120.747 120.747 121.505 -0.758 19498 2410 1 7 . 1 1 66 66 LEU HA H 66 3.905 3.905 3.879 0.026 19498 2411 1 7 . 1 1 66 66 LEU CA C 66 58.076 58.076 58.300 -0.224 19498 2412 1 7 . 1 1 66 66 LEU CB C 66 42.160 42.160 41.008 1.152 19498 2413 1 7 . 1 1 66 66 LEU H H 66 8.164 8.164 8.063 0.101 19498 2414 1 7 . 1 1 67 67 PHE N N 67 116.553 116.553 116.135 0.418 19498 2415 1 7 . 1 1 67 67 PHE HA H 67 3.900 3.900 4.167 -0.267 19498 2416 1 7 . 1 1 67 67 PHE CA C 67 62.849 62.849 61.578 1.271 19498 2417 1 7 . 1 1 67 67 PHE CB C 67 38.003 38.003 38.026 -0.023 19498 2418 1 7 . 1 1 67 67 PHE H H 67 8.350 8.350 7.658 0.692 19498 2419 1 7 . 1 1 68 68 ASN N N 68 121.020 121.020 119.047 1.973 19498 2420 1 7 . 1 1 68 68 ASN HA H 68 4.415 4.415 4.469 -0.054 19498 2421 1 7 . 1 1 68 68 ASN CA C 68 56.725 56.725 56.237 0.488 19498 2422 1 7 . 1 1 68 68 ASN CB C 68 38.071 38.071 38.415 -0.344 19498 2423 1 7 . 1 1 68 68 ASN H H 68 8.001 8.001 7.572 0.429 19498 2424 1 7 . 1 1 69 69 MET N N 69 120.402 120.402 118.651 1.751 19498 2425 1 7 . 1 1 69 69 MET HA H 69 4.011 4.011 4.192 -0.181 19498 2426 1 7 . 1 1 69 69 MET CA C 69 59.605 59.605 59.135 0.470 19498 2427 1 7 . 1 1 69 69 MET CB C 69 31.867 31.867 32.655 -0.788 19498 2428 1 7 . 1 1 69 69 MET H H 69 8.465 8.465 7.773 0.692 19498 2429 1 7 . 1 1 70 70 CYS N N 70 117.496 117.496 116.829 0.667 19498 2430 1 7 . 1 1 70 70 CYS CA C 70 63.145 63.145 63.812 -0.667 19498 2431 1 7 . 1 1 70 70 CYS CB C 70 27.510 27.510 26.975 0.535 19498 2432 1 7 . 1 1 70 70 CYS H H 70 7.616 7.616 7.537 0.079 19498 2433 1 7 . 1 1 71 71 THR N N 71 118.640 118.640 115.212 3.428 19498 2434 1 7 . 1 1 71 71 THR HA H 71 4.270 4.270 4.197 0.073 19498 2435 1 7 . 1 1 71 71 THR CA C 71 67.980 67.980 65.987 1.993 19498 2436 1 7 . 1 1 71 71 THR CB C 71 67.949 67.949 68.489 -0.540 19498 2437 1 7 . 1 1 71 71 THR H H 71 8.509 8.509 7.978 0.531 19498 2438 1 7 . 1 1 72 72 ASP HA H 72 4.430 4.430 4.528 -0.098 19498 2439 1 7 . 1 1 72 72 ASP CA C 72 57.590 57.590 58.100 -0.510 19498 2440 1 7 . 1 1 72 72 ASP CB C 72 40.415 40.415 40.836 -0.421 19498 2441 1 7 . 1 1 73 73 TRP N N 73 121.657 121.657 120.675 0.982 19498 2442 1 7 . 1 1 73 73 TRP HA H 73 4.407 4.407 4.481 -0.074 19498 2443 1 7 . 1 1 73 73 TRP CA C 73 62.951 62.951 61.593 1.358 19498 2444 1 7 . 1 1 73 73 TRP CB C 73 29.114 29.114 30.083 -0.969 19498 2445 1 7 . 1 1 73 73 TRP H H 73 7.780 7.780 7.313 0.467 19498 2446 1 7 . 1 1 74 74 LEU N N 74 118.727 118.727 119.476 -0.749 19498 2447 1 7 . 1 1 74 74 LEU HA H 74 3.582 3.582 3.920 -0.338 19498 2448 1 7 . 1 1 74 74 LEU CA C 74 58.184 58.184 58.151 0.033 19498 2449 1 7 . 1 1 74 74 LEU CB C 74 37.610 37.610 41.814 -4.204 19498 2450 1 7 . 1 1 74 74 LEU H H 74 8.490 8.490 7.568 0.922 19498 2451 1 7 . 1 1 75 75 ASN N N 75 117.962 117.962 116.541 1.421 19498 2452 1 7 . 1 1 75 75 ASN HA H 75 4.527 4.527 4.617 -0.090 19498 2453 1 7 . 1 1 75 75 ASN CA C 75 56.501 56.501 55.824 0.677 19498 2454 1 7 . 1 1 75 75 ASN CB C 75 37.999 37.999 38.117 -0.118 19498 2455 1 7 . 1 1 75 75 ASN H H 75 8.639 8.639 8.108 0.531 19498 2456 1 7 . 1 1 76 76 HIS N N 76 120.823 120.823 119.489 1.334 19498 2457 1 7 . 1 1 76 76 HIS HA H 76 4.450 4.450 4.237 0.213 19498 2458 1 7 . 1 1 76 76 HIS CA C 76 58.737 58.737 59.531 -0.794 19498 2459 1 7 . 1 1 76 76 HIS CB C 76 28.007 28.007 29.967 -1.960 19498 2460 1 7 . 1 1 76 76 HIS H H 76 8.158 8.158 7.781 0.377 19498 2461 1 7 . 1 1 77 77 MET N N 77 118.749 118.749 115.580 3.169 19498 2462 1 7 . 1 1 77 77 MET HA H 77 4.071 4.071 3.926 0.145 19498 2463 1 7 . 1 1 77 77 MET CA C 77 55.827 55.827 57.616 -1.789 19498 2464 1 7 . 1 1 77 77 MET CB C 77 29.541 29.541 31.945 -2.404 19498 2465 1 7 . 1 1 77 77 MET H H 77 8.404 8.404 7.392 1.012 19498 2466 1 7 . 1 1 78 78 TYR N N 78 120.762 120.762 120.438 0.324 19498 2467 1 7 . 1 1 78 78 TYR HA H 78 3.662 3.662 3.962 -0.300 19498 2468 1 7 . 1 1 78 78 TYR CA C 78 62.640 62.640 62.023 0.617 19498 2469 1 7 . 1 1 78 78 TYR CB C 78 37.545 37.545 37.834 -0.289 19498 2470 1 7 . 1 1 78 78 TYR H H 78 8.322 8.322 7.578 0.744 19498 2471 1 7 . 1 1 79 79 ASP N N 79 116.578 116.578 117.501 -0.923 19498 2472 1 7 . 1 1 79 79 ASP HA H 79 4.106 4.106 4.283 -0.177 19498 2473 1 7 . 1 1 79 79 ASP CA C 79 57.410 57.410 57.299 0.111 19498 2474 1 7 . 1 1 79 79 ASP CB C 79 40.503 40.503 40.853 -0.350 19498 2475 1 7 . 1 1 79 79 ASP H H 79 7.460 7.460 7.929 -0.469 19498 2476 1 7 . 1 1 80 80 GLN N N 80 116.175 116.175 119.871 -3.696 19498 2477 1 7 . 1 1 80 80 GLN HA H 80 4.056 4.056 4.131 -0.075 19498 2478 1 7 . 1 1 80 80 GLN CA C 80 57.629 57.629 58.092 -0.463 19498 2479 1 7 . 1 1 80 80 GLN CB C 80 29.662 29.662 28.695 0.967 19498 2480 1 7 . 1 1 80 80 GLN H H 80 7.552 7.552 8.148 -0.596 19498 2481 1 7 . 1 1 81 81 LEU N N 81 118.398 118.398 115.584 2.814 19498 2482 1 7 . 1 1 81 81 LEU HA H 81 4.233 4.233 4.496 -0.263 19498 2483 1 7 . 1 1 81 81 LEU CA C 81 55.461 55.461 55.200 0.261 19498 2484 1 7 . 1 1 81 81 LEU CB C 81 42.406 42.406 41.486 0.920 19498 2485 1 7 . 1 1 81 81 LEU H H 81 7.957 7.957 7.572 0.385 19498 2486 1 7 . 1 1 82 82 LYS N N 82 119.114 119.114 117.153 1.961 19498 2487 1 7 . 1 1 82 82 LYS HA H 82 3.841 3.841 4.270 -0.429 19498 2488 1 7 . 1 1 82 82 LYS CA C 82 58.510 58.510 57.961 0.549 19498 2489 1 7 . 1 1 82 82 LYS CB C 82 30.922 30.922 32.904 -1.982 19498 2490 1 7 . 1 1 82 82 LYS H H 82 7.664 7.664 7.320 0.344 19498 2491 1 7 . 1 1 83 83 ASP N N 83 118.655 118.655 117.649 1.006 19498 2492 1 7 . 1 1 83 83 ASP HA H 83 4.819 4.819 4.725 0.094 19498 2493 1 7 . 1 1 83 83 ASP CA C 83 53.886 53.886 55.323 -1.437 19498 2494 1 7 . 1 1 83 83 ASP CB C 83 40.986 40.986 42.235 -1.249 19498 2495 1 7 . 1 1 83 83 ASP H H 83 7.862 7.862 7.773 0.089 19498 2496 1 7 . 1 1 84 84 TRP N N 84 121.757 121.757 121.701 0.056 19498 2497 1 7 . 1 1 84 84 TRP CA C 84 58.462 58.462 57.248 1.214 19498 2498 1 7 . 1 1 84 84 TRP CB C 84 28.934 28.934 30.583 -1.649 19498 2499 1 7 . 1 1 84 84 TRP H H 84 7.925 7.925 7.630 0.295 19498 2500 1 8 . 1 1 6 6 SER CA C 6 56.008 56.008 57.478 -1.470 19498 2501 1 8 . 1 1 7 7 GLY N N 7 109.496 109.496 110.685 -1.189 19498 2502 1 8 . 1 1 7 7 GLY CA C 7 46.042 46.042 46.285 -0.243 19498 2503 1 8 . 1 1 7 7 GLY H H 7 8.432 8.432 8.671 -0.239 19498 2504 1 8 . 1 1 8 8 ASN N N 8 119.432 119.432 118.049 1.383 19498 2505 1 8 . 1 1 8 8 ASN HA H 8 4.685 4.685 4.473 0.212 19498 2506 1 8 . 1 1 8 8 ASN CA C 8 53.922 53.922 53.970 -0.048 19498 2507 1 8 . 1 1 8 8 ASN CB C 8 37.970 37.970 38.522 -0.552 19498 2508 1 8 . 1 1 8 8 ASN H H 8 8.367 8.367 7.582 0.785 19498 2509 1 8 . 1 1 9 9 LEU N N 9 123.537 123.537 117.920 5.617 19498 2510 1 8 . 1 1 9 9 LEU HA H 9 3.984 3.984 4.550 -0.566 19498 2511 1 8 . 1 1 9 9 LEU CA C 9 56.417 56.417 54.736 1.681 19498 2512 1 8 . 1 1 9 9 LEU CB C 9 41.566 41.566 42.945 -1.379 19498 2513 1 8 . 1 1 9 9 LEU H H 9 7.922 7.922 7.506 0.416 19498 2514 1 8 . 1 1 10 10 ALA N N 10 122.287 122.287 124.248 -1.961 19498 2515 1 8 . 1 1 10 10 ALA HA H 10 4.127 4.127 3.974 0.153 19498 2516 1 8 . 1 1 10 10 ALA CA C 10 55.912 55.912 55.623 0.288 19498 2517 1 8 . 1 1 10 10 ALA CB C 10 17.998 17.998 17.893 0.105 19498 2518 1 8 . 1 1 10 10 ALA H H 10 8.064 8.064 7.757 0.307 19498 2519 1 8 . 1 1 11 11 ALA N N 11 121.326 121.326 119.606 1.720 19498 2520 1 8 . 1 1 11 11 ALA HA H 11 4.207 4.207 4.068 0.139 19498 2521 1 8 . 1 1 11 11 ALA CA C 11 54.960 54.960 54.593 0.367 19498 2522 1 8 . 1 1 11 11 ALA CB C 11 17.998 17.998 18.370 -0.372 19498 2523 1 8 . 1 1 11 11 ALA H H 11 8.143 8.143 8.498 -0.355 19498 2524 1 8 . 1 1 12 12 PHE N N 12 122.913 122.913 118.734 4.179 19498 2525 1 8 . 1 1 12 12 PHE HA H 12 4.411 4.411 4.096 0.315 19498 2526 1 8 . 1 1 12 12 PHE CA C 12 61.007 61.007 61.472 -0.465 19498 2527 1 8 . 1 1 12 12 PHE CB C 12 39.499 39.499 39.220 0.279 19498 2528 1 8 . 1 1 12 12 PHE H H 12 7.779 7.779 8.162 -0.383 19498 2529 1 8 . 1 1 13 13 LYS N N 13 120.689 120.689 117.708 2.981 19498 2530 1 8 . 1 1 13 13 LYS HA H 13 3.861 3.861 4.075 -0.214 19498 2531 1 8 . 1 1 13 13 LYS CA C 13 59.099 59.099 58.121 0.978 19498 2532 1 8 . 1 1 13 13 LYS CB C 13 31.867 31.867 31.689 0.177 19498 2533 1 8 . 1 1 13 13 LYS H H 13 8.614 8.614 8.561 0.053 19498 2534 1 8 . 1 1 14 14 ALA N N 14 122.076 122.076 121.427 0.649 19498 2535 1 8 . 1 1 14 14 ALA HA H 14 3.182 3.182 4.115 -0.933 19498 2536 1 8 . 1 1 14 14 ALA CA C 14 55.108 55.108 54.792 0.316 19498 2537 1 8 . 1 1 14 14 ALA CB C 14 18.120 18.120 18.098 0.022 19498 2538 1 8 . 1 1 14 14 ALA H H 14 8.178 8.178 7.395 0.783 19498 2539 1 8 . 1 1 15 15 ALA N N 15 121.714 121.714 119.557 2.157 19498 2540 1 8 . 1 1 15 15 ALA HA H 15 4.040 4.040 3.903 0.137 19498 2541 1 8 . 1 1 15 15 ALA CA C 15 55.158 55.158 54.502 0.656 19498 2542 1 8 . 1 1 15 15 ALA CB C 15 19.042 19.042 18.390 0.652 19498 2543 1 8 . 1 1 15 15 ALA H H 15 7.793 7.793 7.882 -0.089 19498 2544 1 8 . 1 1 16 16 THR N N 16 111.959 111.959 115.061 -3.102 19498 2545 1 8 . 1 1 16 16 THR HA H 16 3.705 3.705 3.886 -0.181 19498 2546 1 8 . 1 1 16 16 THR CA C 16 66.762 66.762 67.892 -1.130 19498 2547 1 8 . 1 1 16 16 THR CB C 16 68.213 68.213 68.459 -0.246 19498 2548 1 8 . 1 1 16 16 THR H H 16 8.133 8.133 7.411 0.722 19498 2549 1 8 . 1 1 17 17 ASN N N 17 121.090 121.090 117.916 3.174 19498 2550 1 8 . 1 1 17 17 ASN HA H 17 4.520 4.520 4.481 0.039 19498 2551 1 8 . 1 1 17 17 ASN CA C 17 56.191 56.191 55.548 0.643 19498 2552 1 8 . 1 1 17 17 ASN CB C 17 38.365 38.365 38.798 -0.433 19498 2553 1 8 . 1 1 17 17 ASN H H 17 8.152 8.152 7.766 0.386 19498 2554 1 8 . 1 1 18 18 LYS N N 18 119.978 119.978 119.466 0.512 19498 2555 1 8 . 1 1 18 18 LYS HA H 18 3.914 3.914 4.099 -0.185 19498 2556 1 8 . 1 1 18 18 LYS CA C 18 59.865 59.865 58.226 1.639 19498 2557 1 8 . 1 1 18 18 LYS CB C 18 30.999 30.999 31.913 -0.913 19498 2558 1 8 . 1 1 18 18 LYS H H 18 7.568 7.568 7.333 0.235 19498 2559 1 8 . 1 1 19 19 LEU N N 19 117.558 117.558 120.219 -2.661 19498 2560 1 8 . 1 1 19 19 LEU HA H 19 4.135 4.135 4.145 -0.010 19498 2561 1 8 . 1 1 19 19 LEU CA C 19 58.001 58.001 57.717 0.284 19498 2562 1 8 . 1 1 19 19 LEU CB C 19 40.823 40.823 41.882 -1.059 19498 2563 1 8 . 1 1 19 19 LEU H H 19 7.001 7.001 7.482 -0.481 19498 2564 1 8 . 1 1 20 20 PHE N N 20 121.123 121.123 117.981 3.142 19498 2565 1 8 . 1 1 20 20 PHE HA H 20 4.873 4.873 4.158 0.715 19498 2566 1 8 . 1 1 20 20 PHE CA C 20 60.375 60.375 61.055 -0.680 19498 2567 1 8 . 1 1 20 20 PHE CB C 20 38.480 38.480 39.208 -0.728 19498 2568 1 8 . 1 1 20 20 PHE H H 20 8.193 8.193 7.659 0.534 19498 2569 1 8 . 1 1 21 21 GLN N N 21 118.591 118.591 115.305 3.286 19498 2570 1 8 . 1 1 21 21 GLN HA H 21 4.208 4.208 4.139 0.069 19498 2571 1 8 . 1 1 21 21 GLN CA C 21 58.055 58.055 56.967 1.088 19498 2572 1 8 . 1 1 21 21 GLN CB C 21 28.284 28.284 28.719 -0.435 19498 2573 1 8 . 1 1 21 21 GLN H H 21 7.918 7.918 7.964 -0.046 19498 2574 1 8 . 1 1 22 22 LEU N N 22 118.477 118.477 118.617 -0.140 19498 2575 1 8 . 1 1 22 22 LEU HA H 22 4.534 4.534 4.470 0.064 19498 2576 1 8 . 1 1 22 22 LEU CA C 22 54.033 54.033 54.166 -0.133 19498 2577 1 8 . 1 1 22 22 LEU CB C 22 41.469 41.469 43.046 -1.577 19498 2578 1 8 . 1 1 22 22 LEU H H 22 7.561 7.561 7.450 0.111 19498 2579 1 8 . 1 1 23 23 ASP N N 23 115.410 115.410 118.794 -3.384 19498 2580 1 8 . 1 1 23 23 ASP HA H 23 4.280 4.280 4.165 0.115 19498 2581 1 8 . 1 1 23 23 ASP CA C 23 55.494 55.494 55.470 0.024 19498 2582 1 8 . 1 1 23 23 ASP CB C 23 39.317 39.317 39.225 0.092 19498 2583 1 8 . 1 1 23 23 ASP H H 23 8.163 8.163 7.776 0.387 19498 2584 1 8 . 1 1 24 24 LEU N N 24 116.367 116.367 111.804 4.563 19498 2585 1 8 . 1 1 24 24 LEU HA H 24 4.790 4.790 5.191 -0.401 19498 2586 1 8 . 1 1 24 24 LEU CA C 24 53.030 53.030 52.962 0.068 19498 2587 1 8 . 1 1 24 24 LEU CB C 24 43.867 43.867 44.244 -0.377 19498 2588 1 8 . 1 1 24 24 LEU H H 24 7.136 7.136 7.549 -0.413 19498 2589 1 8 . 1 1 25 25 ALA N N 25 123.243 123.243 121.058 2.185 19498 2590 1 8 . 1 1 25 25 ALA HA H 25 4.480 4.480 4.839 -0.359 19498 2591 1 8 . 1 1 25 25 ALA CA C 25 50.890 50.890 51.285 -0.395 19498 2592 1 8 . 1 1 25 25 ALA CB C 25 21.655 21.655 21.496 0.159 19498 2593 1 8 . 1 1 25 25 ALA H H 25 8.931 8.931 8.549 0.382 19498 2594 1 8 . 1 1 26 26 VAL N N 26 119.587 119.587 122.578 -2.991 19498 2595 1 8 . 1 1 26 26 VAL HA H 26 4.889 4.889 4.390 0.499 19498 2596 1 8 . 1 1 26 26 VAL CA C 26 61.278 61.278 61.179 0.099 19498 2597 1 8 . 1 1 26 26 VAL CB C 26 33.310 33.310 32.671 0.639 19498 2598 1 8 . 1 1 26 26 VAL H H 26 7.575 7.575 8.308 -0.733 19498 2599 1 8 . 1 1 27 27 ILE N N 27 130.377 130.377 126.895 3.482 19498 2600 1 8 . 1 1 27 27 ILE HA H 27 4.489 4.489 4.702 -0.213 19498 2601 1 8 . 1 1 27 27 ILE CA C 27 60.177 60.177 60.615 -0.438 19498 2602 1 8 . 1 1 27 27 ILE CB C 27 40.019 40.019 38.401 1.618 19498 2603 1 8 . 1 1 27 27 ILE H H 27 9.437 9.437 8.075 1.362 19498 2604 1 8 . 1 1 28 28 TYR N N 28 126.844 126.844 122.656 4.188 19498 2605 1 8 . 1 1 28 28 TYR HA H 28 5.709 5.709 5.587 0.122 19498 2606 1 8 . 1 1 28 28 TYR CA C 28 55.486 55.486 54.389 1.097 19498 2607 1 8 . 1 1 28 28 TYR CB C 28 42.019 42.019 40.380 1.639 19498 2608 1 8 . 1 1 28 28 TYR H H 28 8.531 8.531 8.165 0.366 19498 2609 1 8 . 1 1 29 29 ASP N N 29 122.875 122.875 120.987 1.888 19498 2610 1 8 . 1 1 29 29 ASP HA H 29 4.966 4.966 4.620 0.346 19498 2611 1 8 . 1 1 29 29 ASP CA C 29 53.659 53.659 54.303 -0.644 19498 2612 1 8 . 1 1 29 29 ASP CB C 29 44.660 44.660 41.970 2.690 19498 2613 1 8 . 1 1 29 29 ASP H H 29 8.614 8.614 8.613 0.001 19498 2614 1 8 . 1 1 30 30 ASP N N 30 119.325 119.325 123.444 -4.119 19498 2615 1 8 . 1 1 30 30 ASP HA H 30 5.447 5.447 4.676 0.771 19498 2616 1 8 . 1 1 30 30 ASP CA C 30 53.501 53.501 53.690 -0.189 19498 2617 1 8 . 1 1 30 30 ASP CB C 30 43.921 43.921 42.617 1.304 19498 2618 1 8 . 1 1 30 30 ASP H H 30 8.607 8.607 8.479 0.128 19498 2619 1 8 . 1 1 31 31 TRP N N 31 120.552 120.552 121.575 -1.023 19498 2620 1 8 . 1 1 31 31 TRP HA H 31 4.615 4.615 4.388 0.227 19498 2621 1 8 . 1 1 31 31 TRP CA C 31 58.000 58.000 58.162 -0.162 19498 2622 1 8 . 1 1 31 31 TRP CB C 31 31.500 31.500 29.620 1.880 19498 2623 1 8 . 1 1 31 31 TRP H H 31 8.673 8.673 8.485 0.188 19498 2624 1 8 . 1 1 32 32 TYR CA C 32 52.400 52.400 55.404 -3.004 19498 2625 1 8 . 1 1 32 32 TYR CB C 32 42.350 42.350 41.135 1.215 19498 2626 1 8 . 1 1 33 33 ASP CA C 33 52.400 52.400 54.089 -1.689 19498 2627 1 8 . 1 1 33 33 ASP CB C 33 42.350 42.350 40.853 1.497 19498 2628 1 8 . 1 1 34 34 ALA N N 34 126.709 126.709 119.897 6.812 19498 2629 1 8 . 1 1 34 34 ALA HA H 34 3.845 3.845 4.124 -0.279 19498 2630 1 8 . 1 1 34 34 ALA CA C 34 58.599 58.599 51.344 7.255 19498 2631 1 8 . 1 1 34 34 ALA CB C 34 18.610 18.610 19.717 -1.107 19498 2632 1 8 . 1 1 34 34 ALA H H 34 8.424 8.424 6.485 1.939 19498 2633 1 8 . 1 1 35 35 TYR N N 35 117.123 117.123 123.677 -6.554 19498 2634 1 8 . 1 1 35 35 TYR HA H 35 4.350 4.350 4.352 -0.002 19498 2635 1 8 . 1 1 35 35 TYR CA C 35 60.466 60.466 58.547 1.919 19498 2636 1 8 . 1 1 35 35 TYR CB C 35 38.113 38.113 38.462 -0.349 19498 2637 1 8 . 1 1 35 35 TYR H H 35 8.334 8.334 8.800 -0.466 19498 2638 1 8 . 1 1 36 36 THR N N 36 108.046 108.046 109.470 -1.424 19498 2639 1 8 . 1 1 36 36 THR HA H 36 4.018 4.018 4.136 -0.118 19498 2640 1 8 . 1 1 36 36 THR CA C 36 61.809 61.809 62.037 -0.228 19498 2641 1 8 . 1 1 36 36 THR CB C 36 69.926 69.926 68.481 1.445 19498 2642 1 8 . 1 1 36 36 THR H H 36 7.563 7.563 7.587 -0.024 19498 2643 1 8 . 1 1 37 37 ARG N N 37 118.456 118.456 119.756 -1.300 19498 2644 1 8 . 1 1 37 37 ARG CA C 37 57.001 57.001 56.893 0.108 19498 2645 1 8 . 1 1 37 37 ARG H H 37 7.952 7.952 7.395 0.557 19498 2646 1 8 . 1 1 40 40 CYS CA C 40 56.316 56.316 58.203 -1.887 19498 2647 1 8 . 1 1 40 40 CYS CB C 40 29.999 29.999 28.940 1.059 19498 2648 1 8 . 1 1 41 41 ILE N N 41 121.419 121.419 126.772 -5.353 19498 2649 1 8 . 1 1 41 41 ILE HA H 41 4.709 4.709 4.380 0.329 19498 2650 1 8 . 1 1 41 41 ILE CA C 41 60.462 60.462 60.790 -0.328 19498 2651 1 8 . 1 1 41 41 ILE CB C 41 42.309 42.309 40.451 1.858 19498 2652 1 8 . 1 1 41 41 ILE H H 41 8.459 8.459 8.039 0.420 19498 2653 1 8 . 1 1 42 42 ARG N N 42 127.916 127.916 126.411 1.505 19498 2654 1 8 . 1 1 42 42 ARG CA C 42 54.501 54.501 55.084 -0.583 19498 2655 1 8 . 1 1 42 42 ARG CB C 42 33.204 33.204 32.756 0.448 19498 2656 1 8 . 1 1 42 42 ARG H H 42 9.004 9.004 8.687 0.317 19498 2657 1 8 . 1 1 43 43 LEU N N 43 124.715 124.715 124.941 -0.226 19498 2658 1 8 . 1 1 43 43 LEU HA H 43 5.538 5.538 4.786 0.752 19498 2659 1 8 . 1 1 43 43 LEU CA C 43 53.266 53.266 54.362 -1.096 19498 2660 1 8 . 1 1 43 43 LEU CB C 43 46.163 46.163 43.252 2.911 19498 2661 1 8 . 1 1 43 43 LEU H H 43 8.757 8.757 8.526 0.231 19498 2662 1 8 . 1 1 44 44 ARG N N 44 123.499 123.499 125.825 -2.326 19498 2663 1 8 . 1 1 44 44 ARG HA H 44 5.004 5.004 4.746 0.258 19498 2664 1 8 . 1 1 44 44 ARG CA C 44 55.508 55.508 55.039 0.469 19498 2665 1 8 . 1 1 44 44 ARG CB C 44 34.543 34.543 32.495 2.049 19498 2666 1 8 . 1 1 44 44 ARG H H 44 9.366 9.366 8.834 0.532 19498 2667 1 8 . 1 1 45 45 ILE N N 45 122.919 122.919 127.040 -4.121 19498 2668 1 8 . 1 1 45 45 ILE HA H 45 5.260 5.260 4.525 0.735 19498 2669 1 8 . 1 1 45 45 ILE CA C 45 59.933 59.933 59.159 0.774 19498 2670 1 8 . 1 1 45 45 ILE CB C 45 39.751 39.751 38.816 0.935 19498 2671 1 8 . 1 1 45 45 ILE H H 45 8.938 8.938 8.450 0.488 19498 2672 1 8 . 1 1 46 46 GLU N N 46 126.745 126.745 125.253 1.492 19498 2673 1 8 . 1 1 46 46 GLU HA H 46 5.465 5.465 4.809 0.656 19498 2674 1 8 . 1 1 46 46 GLU CA C 46 53.707 53.707 54.766 -1.059 19498 2675 1 8 . 1 1 46 46 GLU CB C 46 35.276 35.276 33.084 2.192 19498 2676 1 8 . 1 1 46 46 GLU H H 46 9.097 9.097 8.693 0.404 19498 2677 1 8 . 1 1 47 47 ASP N N 47 117.988 117.988 120.820 -2.832 19498 2678 1 8 . 1 1 47 47 ASP HA H 47 4.976 4.976 4.689 0.287 19498 2679 1 8 . 1 1 47 47 ASP CA C 47 52.411 52.411 54.068 -1.657 19498 2680 1 8 . 1 1 47 47 ASP CB C 47 41.609 41.609 43.375 -1.766 19498 2681 1 8 . 1 1 47 47 ASP H H 47 8.209 8.209 8.827 -0.618 19498 2682 1 8 . 1 1 48 48 ARG N N 48 117.098 117.098 122.195 -5.097 19498 2683 1 8 . 1 1 48 48 ARG HA H 48 4.129 4.129 4.283 -0.154 19498 2684 1 8 . 1 1 48 48 ARG CA C 48 58.323 58.323 57.003 1.320 19498 2685 1 8 . 1 1 48 48 ARG CB C 48 29.511 29.511 29.014 0.497 19498 2686 1 8 . 1 1 48 48 ARG H H 48 8.872 8.872 8.853 0.019 19498 2687 1 8 . 1 1 49 49 SER N N 49 115.006 115.006 113.979 1.027 19498 2688 1 8 . 1 1 49 49 SER HA H 49 4.614 4.614 4.629 -0.015 19498 2689 1 8 . 1 1 49 49 SER CA C 49 58.411 58.411 58.226 0.185 19498 2690 1 8 . 1 1 49 49 SER CB C 49 63.806 63.806 63.788 0.018 19498 2691 1 8 . 1 1 49 49 SER H H 49 8.142 8.142 7.966 0.176 19498 2692 1 8 . 1 1 50 50 GLY N N 50 109.042 109.042 109.543 -0.501 19498 2693 1 8 . 1 1 50 50 GLY CA C 50 44.997 44.997 45.221 -0.224 19498 2694 1 8 . 1 1 50 50 GLY H H 50 8.035 8.035 7.904 0.132 19498 2695 1 8 . 1 1 51 51 ASN N N 51 119.842 119.842 120.753 -0.911 19498 2696 1 8 . 1 1 51 51 ASN HA H 51 4.546 4.546 4.660 -0.114 19498 2697 1 8 . 1 1 51 51 ASN CA C 51 53.419 53.419 53.209 0.210 19498 2698 1 8 . 1 1 51 51 ASN CB C 51 38.422 38.422 38.608 -0.186 19498 2699 1 8 . 1 1 51 51 ASN H H 51 8.613 8.613 8.188 0.425 19498 2700 1 8 . 1 1 52 52 LEU N N 52 124.085 124.085 122.723 1.362 19498 2701 1 8 . 1 1 52 52 LEU HA H 52 4.142 4.142 4.438 -0.296 19498 2702 1 8 . 1 1 52 52 LEU CA C 52 56.023 56.023 55.874 0.149 19498 2703 1 8 . 1 1 52 52 LEU CB C 52 42.353 42.353 42.433 -0.080 19498 2704 1 8 . 1 1 52 52 LEU H H 52 8.631 8.631 8.410 0.221 19498 2705 1 8 . 1 1 53 53 ILE N N 53 129.362 129.362 121.067 8.295 19498 2706 1 8 . 1 1 53 53 ILE HA H 53 4.137 4.137 4.322 -0.185 19498 2707 1 8 . 1 1 53 53 ILE CA C 53 61.800 61.800 61.652 0.148 19498 2708 1 8 . 1 1 53 53 ILE CB C 53 37.256 37.256 39.137 -1.881 19498 2709 1 8 . 1 1 53 53 ILE H H 53 9.432 9.432 8.519 0.913 19498 2710 1 8 . 1 1 54 54 ASP N N 54 113.575 113.575 118.360 -4.785 19498 2711 1 8 . 1 1 54 54 ASP HA H 54 4.847 4.847 4.951 -0.104 19498 2712 1 8 . 1 1 54 54 ASP CA C 54 53.586 53.586 54.294 -0.708 19498 2713 1 8 . 1 1 54 54 ASP CB C 54 44.500 44.500 44.423 0.076 19498 2714 1 8 . 1 1 54 54 ASP H H 54 7.761 7.761 8.396 -0.635 19498 2715 1 8 . 1 1 55 55 THR N N 55 115.783 115.783 116.072 -0.289 19498 2716 1 8 . 1 1 55 55 THR HA H 55 5.427 5.427 4.765 0.662 19498 2717 1 8 . 1 1 55 55 THR CA C 55 59.185 59.185 61.885 -2.700 19498 2718 1 8 . 1 1 55 55 THR CB C 55 70.551 70.551 71.850 -1.299 19498 2719 1 8 . 1 1 55 55 THR H H 55 10.106 10.106 8.417 1.689 19498 2720 1 8 . 1 1 56 56 SER N N 56 119.808 119.808 119.899 -0.091 19498 2721 1 8 . 1 1 56 56 SER HA H 56 4.135 4.135 4.514 -0.379 19498 2722 1 8 . 1 1 56 56 SER CA C 56 58.001 58.001 56.571 1.431 19498 2723 1 8 . 1 1 56 56 SER CB C 56 65.039 65.039 64.254 0.785 19498 2724 1 8 . 1 1 56 56 SER H H 56 7.872 7.872 8.882 -1.010 19498 2725 1 8 . 1 1 57 57 THR N N 57 117.962 117.962 121.751 -3.789 19498 2726 1 8 . 1 1 57 57 THR HA H 57 4.964 4.964 4.487 0.477 19498 2727 1 8 . 1 1 57 57 THR CA C 57 61.001 61.001 62.075 -1.074 19498 2728 1 8 . 1 1 57 57 THR CB C 57 70.881 70.881 70.301 0.580 19498 2729 1 8 . 1 1 57 57 THR H H 57 7.524 7.524 8.225 -0.701 19498 2730 1 8 . 1 1 58 58 PHE N N 58 123.853 123.853 127.543 -3.690 19498 2731 1 8 . 1 1 58 58 PHE HA H 58 4.603 4.603 4.632 -0.029 19498 2732 1 8 . 1 1 58 58 PHE CA C 58 56.648 56.648 57.597 -0.949 19498 2733 1 8 . 1 1 58 58 PHE CB C 58 43.583 43.583 39.916 3.667 19498 2734 1 8 . 1 1 58 58 PHE H H 58 8.861 8.861 8.172 0.689 19498 2735 1 8 . 1 1 59 59 TYR N N 59 117.898 117.898 122.637 -4.739 19498 2736 1 8 . 1 1 59 59 TYR HA H 59 5.328 5.328 4.818 0.510 19498 2737 1 8 . 1 1 59 59 TYR CA C 59 56.221 56.221 58.163 -1.942 19498 2738 1 8 . 1 1 59 59 TYR CB C 59 42.106 42.106 40.747 1.359 19498 2739 1 8 . 1 1 59 59 TYR H H 59 8.328 8.328 8.683 -0.355 19498 2740 1 8 . 1 1 60 60 HIS CA C 60 60.065 60.065 55.396 4.669 19498 2741 1 8 . 1 1 60 60 HIS CB C 60 34.284 34.284 31.222 3.062 19498 2742 1 8 . 1 1 61 61 HIS N N 61 121.880 121.880 119.709 2.171 19498 2743 1 8 . 1 1 61 61 HIS CA C 61 58.001 58.001 56.751 1.250 19498 2744 1 8 . 1 1 61 61 HIS CB C 61 29.999 29.999 30.571 -0.572 19498 2745 1 8 . 1 1 61 61 HIS H H 61 7.734 7.734 8.163 -0.429 19498 2746 1 8 . 1 1 62 62 ASP N N 62 128.148 128.148 119.742 8.406 19498 2747 1 8 . 1 1 62 62 ASP HA H 62 4.870 4.870 4.475 0.395 19498 2748 1 8 . 1 1 62 62 ASP CA C 62 53.348 53.348 55.173 -1.825 19498 2749 1 8 . 1 1 62 62 ASP CB C 62 42.600 42.600 42.014 0.586 19498 2750 1 8 . 1 1 62 62 ASP H H 62 11.492 11.492 8.430 3.062 19498 2751 1 8 . 1 1 63 63 GLU N N 63 126.564 126.564 122.999 3.565 19498 2752 1 8 . 1 1 63 63 GLU HA H 63 3.795 3.795 3.774 0.021 19498 2753 1 8 . 1 1 63 63 GLU CA C 63 59.863 59.863 59.448 0.415 19498 2754 1 8 . 1 1 63 63 GLU CB C 63 34.007 34.007 29.808 4.199 19498 2755 1 8 . 1 1 63 63 GLU H H 63 8.982 8.982 8.952 0.030 19498 2756 1 8 . 1 1 64 64 ASP N N 64 117.779 117.779 119.106 -1.327 19498 2757 1 8 . 1 1 64 64 ASP HA H 64 4.401 4.401 4.426 -0.025 19498 2758 1 8 . 1 1 64 64 ASP CA C 64 57.664 57.664 57.352 0.312 19498 2759 1 8 . 1 1 64 64 ASP CB C 64 40.369 40.369 40.773 -0.404 19498 2760 1 8 . 1 1 64 64 ASP H H 64 8.272 8.272 7.692 0.580 19498 2761 1 8 . 1 1 65 65 VAL N N 65 121.948 121.948 119.912 2.036 19498 2762 1 8 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.929 -0.543 19498 2763 1 8 . 1 1 65 65 VAL CA C 65 65.913 65.913 65.159 0.754 19498 2764 1 8 . 1 1 65 65 VAL CB C 65 31.465 31.465 31.886 -0.421 19498 2765 1 8 . 1 1 65 65 VAL H H 65 7.335 7.335 7.977 -0.642 19498 2766 1 8 . 1 1 66 66 LEU N N 66 120.747 120.747 120.305 0.442 19498 2767 1 8 . 1 1 66 66 LEU HA H 66 3.905 3.905 3.961 -0.056 19498 2768 1 8 . 1 1 66 66 LEU CA C 66 58.076 58.076 57.870 0.206 19498 2769 1 8 . 1 1 66 66 LEU CB C 66 42.160 42.160 40.243 1.917 19498 2770 1 8 . 1 1 66 66 LEU H H 66 8.164 8.164 7.268 0.896 19498 2771 1 8 . 1 1 67 67 PHE N N 67 116.553 116.553 117.587 -1.034 19498 2772 1 8 . 1 1 67 67 PHE HA H 67 3.900 3.900 4.031 -0.131 19498 2773 1 8 . 1 1 67 67 PHE CA C 67 62.849 62.849 62.003 0.846 19498 2774 1 8 . 1 1 67 67 PHE CB C 67 38.003 38.003 37.772 0.231 19498 2775 1 8 . 1 1 67 67 PHE H H 67 8.350 8.350 7.540 0.810 19498 2776 1 8 . 1 1 68 68 ASN N N 68 121.020 121.020 118.203 2.817 19498 2777 1 8 . 1 1 68 68 ASN HA H 68 4.415 4.415 4.483 -0.068 19498 2778 1 8 . 1 1 68 68 ASN CA C 68 56.725 56.725 56.381 0.344 19498 2779 1 8 . 1 1 68 68 ASN CB C 68 38.071 38.071 38.684 -0.613 19498 2780 1 8 . 1 1 68 68 ASN H H 68 8.001 8.001 7.883 0.118 19498 2781 1 8 . 1 1 69 69 MET N N 69 120.402 120.402 119.165 1.237 19498 2782 1 8 . 1 1 69 69 MET HA H 69 4.011 4.011 4.221 -0.210 19498 2783 1 8 . 1 1 69 69 MET CA C 69 59.605 59.605 59.326 0.279 19498 2784 1 8 . 1 1 69 69 MET CB C 69 31.867 31.867 32.888 -1.021 19498 2785 1 8 . 1 1 69 69 MET H H 69 8.465 8.465 7.769 0.696 19498 2786 1 8 . 1 1 70 70 CYS N N 70 117.496 117.496 117.516 -0.020 19498 2787 1 8 . 1 1 70 70 CYS CA C 70 63.145 63.145 63.863 -0.718 19498 2788 1 8 . 1 1 70 70 CYS CB C 70 27.510 27.510 26.853 0.657 19498 2789 1 8 . 1 1 70 70 CYS H H 70 7.616 7.616 8.108 -0.492 19498 2790 1 8 . 1 1 71 71 THR N N 71 118.640 118.640 115.295 3.345 19498 2791 1 8 . 1 1 71 71 THR HA H 71 4.270 4.270 4.214 0.056 19498 2792 1 8 . 1 1 71 71 THR CA C 71 67.980 67.980 66.380 1.600 19498 2793 1 8 . 1 1 71 71 THR CB C 71 67.949 67.949 68.743 -0.794 19498 2794 1 8 . 1 1 71 71 THR H H 71 8.509 8.509 7.968 0.541 19498 2795 1 8 . 1 1 72 72 ASP HA H 72 4.430 4.430 4.521 -0.091 19498 2796 1 8 . 1 1 72 72 ASP CA C 72 57.590 57.590 57.658 -0.068 19498 2797 1 8 . 1 1 72 72 ASP CB C 72 40.415 40.415 41.007 -0.592 19498 2798 1 8 . 1 1 73 73 TRP N N 73 121.657 121.657 121.025 0.632 19498 2799 1 8 . 1 1 73 73 TRP HA H 73 4.407 4.407 4.456 -0.049 19498 2800 1 8 . 1 1 73 73 TRP CA C 73 62.951 62.951 61.923 1.028 19498 2801 1 8 . 1 1 73 73 TRP CB C 73 29.114 29.114 29.978 -0.864 19498 2802 1 8 . 1 1 73 73 TRP H H 73 7.780 7.780 7.633 0.147 19498 2803 1 8 . 1 1 74 74 LEU N N 74 118.727 118.727 118.863 -0.136 19498 2804 1 8 . 1 1 74 74 LEU HA H 74 3.582 3.582 3.896 -0.314 19498 2805 1 8 . 1 1 74 74 LEU CA C 74 58.184 58.184 57.794 0.390 19498 2806 1 8 . 1 1 74 74 LEU CB C 74 37.610 37.610 41.727 -4.117 19498 2807 1 8 . 1 1 74 74 LEU H H 74 8.490 8.490 7.793 0.697 19498 2808 1 8 . 1 1 75 75 ASN N N 75 117.962 117.962 116.960 1.002 19498 2809 1 8 . 1 1 75 75 ASN HA H 75 4.527 4.527 4.632 -0.105 19498 2810 1 8 . 1 1 75 75 ASN CA C 75 56.501 56.501 56.264 0.237 19498 2811 1 8 . 1 1 75 75 ASN CB C 75 37.999 37.999 38.792 -0.793 19498 2812 1 8 . 1 1 75 75 ASN H H 75 8.639 8.639 8.370 0.269 19498 2813 1 8 . 1 1 76 76 HIS N N 76 120.823 120.823 119.108 1.715 19498 2814 1 8 . 1 1 76 76 HIS HA H 76 4.450 4.450 4.191 0.259 19498 2815 1 8 . 1 1 76 76 HIS CA C 76 58.737 58.737 59.193 -0.456 19498 2816 1 8 . 1 1 76 76 HIS CB C 76 28.007 28.007 29.769 -1.762 19498 2817 1 8 . 1 1 76 76 HIS H H 76 8.158 8.158 7.697 0.461 19498 2818 1 8 . 1 1 77 77 MET N N 77 118.749 118.749 114.836 3.913 19498 2819 1 8 . 1 1 77 77 MET HA H 77 4.071 4.071 3.883 0.188 19498 2820 1 8 . 1 1 77 77 MET CA C 77 55.827 55.827 57.547 -1.720 19498 2821 1 8 . 1 1 77 77 MET CB C 77 29.541 29.541 31.895 -2.354 19498 2822 1 8 . 1 1 77 77 MET H H 77 8.404 8.404 7.258 1.146 19498 2823 1 8 . 1 1 78 78 TYR N N 78 120.762 120.762 120.366 0.396 19498 2824 1 8 . 1 1 78 78 TYR HA H 78 3.662 3.662 3.988 -0.326 19498 2825 1 8 . 1 1 78 78 TYR CA C 78 62.640 62.640 61.877 0.763 19498 2826 1 8 . 1 1 78 78 TYR CB C 78 37.545 37.545 37.876 -0.331 19498 2827 1 8 . 1 1 78 78 TYR H H 78 8.322 8.322 7.582 0.740 19498 2828 1 8 . 1 1 79 79 ASP N N 79 116.578 116.578 116.288 0.290 19498 2829 1 8 . 1 1 79 79 ASP HA H 79 4.106 4.106 4.275 -0.169 19498 2830 1 8 . 1 1 79 79 ASP CA C 79 57.410 57.410 56.274 1.136 19498 2831 1 8 . 1 1 79 79 ASP CB C 79 40.503 40.503 40.243 0.260 19498 2832 1 8 . 1 1 79 79 ASP H H 79 7.460 7.460 7.959 -0.499 19498 2833 1 8 . 1 1 80 80 GLN N N 80 116.175 116.175 121.148 -4.973 19498 2834 1 8 . 1 1 80 80 GLN HA H 80 4.056 4.056 3.907 0.149 19498 2835 1 8 . 1 1 80 80 GLN CA C 80 57.629 57.629 58.309 -0.680 19498 2836 1 8 . 1 1 80 80 GLN CB C 80 29.662 29.662 28.724 0.939 19498 2837 1 8 . 1 1 80 80 GLN H H 80 7.552 7.552 7.636 -0.084 19498 2838 1 8 . 1 1 81 81 LEU N N 81 118.398 118.398 116.905 1.493 19498 2839 1 8 . 1 1 81 81 LEU HA H 81 4.233 4.233 4.443 -0.210 19498 2840 1 8 . 1 1 81 81 LEU CA C 81 55.461 55.461 56.283 -0.822 19498 2841 1 8 . 1 1 81 81 LEU CB C 81 42.406 42.406 41.730 0.676 19498 2842 1 8 . 1 1 81 81 LEU H H 81 7.957 7.957 7.681 0.276 19498 2843 1 8 . 1 1 82 82 LYS N N 82 119.114 119.114 117.999 1.115 19498 2844 1 8 . 1 1 82 82 LYS HA H 82 3.841 3.841 4.245 -0.404 19498 2845 1 8 . 1 1 82 82 LYS CA C 82 58.510 58.510 57.582 0.928 19498 2846 1 8 . 1 1 82 82 LYS CB C 82 30.922 30.922 32.528 -1.606 19498 2847 1 8 . 1 1 82 82 LYS H H 82 7.664 7.664 7.450 0.214 19498 2848 1 8 . 1 1 83 83 ASP N N 83 118.655 118.655 119.620 -0.965 19498 2849 1 8 . 1 1 83 83 ASP HA H 83 4.819 4.819 4.319 0.500 19498 2850 1 8 . 1 1 83 83 ASP CA C 83 53.886 53.886 55.278 -1.392 19498 2851 1 8 . 1 1 83 83 ASP CB C 83 40.986 40.986 40.829 0.157 19498 2852 1 8 . 1 1 83 83 ASP H H 83 7.862 7.862 7.449 0.413 19498 2853 1 8 . 1 1 84 84 TRP N N 84 121.757 121.757 121.108 0.649 19498 2854 1 8 . 1 1 84 84 TRP CA C 84 58.462 58.462 56.330 2.132 19498 2855 1 8 . 1 1 84 84 TRP CB C 84 28.934 28.934 29.164 -0.230 19498 2856 1 8 . 1 1 84 84 TRP H H 84 7.925 7.925 7.399 0.526 19498 2857 1 9 . 1 1 6 6 SER CA C 6 56.008 56.008 59.498 -3.490 19498 2858 1 9 . 1 1 7 7 GLY N N 7 109.496 109.496 110.079 -0.583 19498 2859 1 9 . 1 1 7 7 GLY CA C 7 46.042 46.042 44.622 1.420 19498 2860 1 9 . 1 1 7 7 GLY H H 7 8.432 8.432 8.396 0.036 19498 2861 1 9 . 1 1 8 8 ASN N N 8 119.432 119.432 118.174 1.258 19498 2862 1 9 . 1 1 8 8 ASN HA H 8 4.685 4.685 4.575 0.110 19498 2863 1 9 . 1 1 8 8 ASN CA C 8 53.922 53.922 53.018 0.904 19498 2864 1 9 . 1 1 8 8 ASN CB C 8 37.970 37.970 38.931 -0.961 19498 2865 1 9 . 1 1 8 8 ASN H H 8 8.367 8.367 7.460 0.907 19498 2866 1 9 . 1 1 9 9 LEU N N 9 123.537 123.537 120.495 3.042 19498 2867 1 9 . 1 1 9 9 LEU HA H 9 3.984 3.984 4.129 -0.145 19498 2868 1 9 . 1 1 9 9 LEU CA C 9 56.417 56.417 55.885 0.532 19498 2869 1 9 . 1 1 9 9 LEU CB C 9 41.566 41.566 41.048 0.518 19498 2870 1 9 . 1 1 9 9 LEU H H 9 7.922 7.922 8.011 -0.089 19498 2871 1 9 . 1 1 10 10 ALA N N 10 122.287 122.287 123.845 -1.558 19498 2872 1 9 . 1 1 10 10 ALA HA H 10 4.127 4.127 4.041 0.086 19498 2873 1 9 . 1 1 10 10 ALA CA C 10 55.912 55.912 55.030 0.882 19498 2874 1 9 . 1 1 10 10 ALA CB C 10 17.998 17.998 18.030 -0.032 19498 2875 1 9 . 1 1 10 10 ALA H H 10 8.064 8.064 8.090 -0.026 19498 2876 1 9 . 1 1 11 11 ALA N N 11 121.326 121.326 119.798 1.528 19498 2877 1 9 . 1 1 11 11 ALA HA H 11 4.207 4.207 4.262 -0.055 19498 2878 1 9 . 1 1 11 11 ALA CA C 11 54.960 54.960 53.871 1.089 19498 2879 1 9 . 1 1 11 11 ALA CB C 11 17.998 17.998 18.522 -0.524 19498 2880 1 9 . 1 1 11 11 ALA H H 11 8.143 8.143 7.837 0.306 19498 2881 1 9 . 1 1 12 12 PHE N N 12 122.913 122.913 119.792 3.121 19498 2882 1 9 . 1 1 12 12 PHE HA H 12 4.411 4.411 4.058 0.353 19498 2883 1 9 . 1 1 12 12 PHE CA C 12 61.007 61.007 61.609 -0.602 19498 2884 1 9 . 1 1 12 12 PHE CB C 12 39.499 39.499 39.329 0.170 19498 2885 1 9 . 1 1 12 12 PHE H H 12 7.779 7.779 7.839 -0.060 19498 2886 1 9 . 1 1 13 13 LYS N N 13 120.689 120.689 117.830 2.859 19498 2887 1 9 . 1 1 13 13 LYS HA H 13 3.861 3.861 4.067 -0.206 19498 2888 1 9 . 1 1 13 13 LYS CA C 13 59.099 59.099 58.778 0.321 19498 2889 1 9 . 1 1 13 13 LYS CB C 13 31.867 31.867 31.746 0.121 19498 2890 1 9 . 1 1 13 13 LYS H H 13 8.614 8.614 8.416 0.198 19498 2891 1 9 . 1 1 14 14 ALA N N 14 122.076 122.076 120.489 1.587 19498 2892 1 9 . 1 1 14 14 ALA HA H 14 3.182 3.182 4.182 -1.000 19498 2893 1 9 . 1 1 14 14 ALA CA C 14 55.108 55.108 54.562 0.546 19498 2894 1 9 . 1 1 14 14 ALA CB C 14 18.120 18.120 18.227 -0.107 19498 2895 1 9 . 1 1 14 14 ALA H H 14 8.178 8.178 7.493 0.685 19498 2896 1 9 . 1 1 15 15 ALA N N 15 121.714 121.714 119.746 1.968 19498 2897 1 9 . 1 1 15 15 ALA HA H 15 4.040 4.040 4.031 0.009 19498 2898 1 9 . 1 1 15 15 ALA CA C 15 55.158 55.158 54.267 0.890 19498 2899 1 9 . 1 1 15 15 ALA CB C 15 19.042 19.042 18.213 0.829 19498 2900 1 9 . 1 1 15 15 ALA H H 15 7.793 7.793 7.736 0.057 19498 2901 1 9 . 1 1 16 16 THR N N 16 111.959 111.959 114.372 -2.413 19498 2902 1 9 . 1 1 16 16 THR HA H 16 3.705 3.705 3.860 -0.155 19498 2903 1 9 . 1 1 16 16 THR CA C 16 66.762 66.762 67.653 -0.890 19498 2904 1 9 . 1 1 16 16 THR CB C 16 68.213 68.213 68.420 -0.207 19498 2905 1 9 . 1 1 16 16 THR H H 16 8.133 8.133 7.472 0.661 19498 2906 1 9 . 1 1 17 17 ASN N N 17 121.090 121.090 117.962 3.128 19498 2907 1 9 . 1 1 17 17 ASN HA H 17 4.520 4.520 4.529 -0.009 19498 2908 1 9 . 1 1 17 17 ASN CA C 17 56.191 56.191 55.476 0.715 19498 2909 1 9 . 1 1 17 17 ASN CB C 17 38.365 38.365 38.575 -0.210 19498 2910 1 9 . 1 1 17 17 ASN H H 17 8.152 8.152 8.031 0.121 19498 2911 1 9 . 1 1 18 18 LYS N N 18 119.978 119.978 119.172 0.806 19498 2912 1 9 . 1 1 18 18 LYS HA H 18 3.914 3.914 4.168 -0.254 19498 2913 1 9 . 1 1 18 18 LYS CA C 18 59.865 59.865 57.978 1.887 19498 2914 1 9 . 1 1 18 18 LYS CB C 18 30.999 30.999 31.983 -0.984 19498 2915 1 9 . 1 1 18 18 LYS H H 18 7.568 7.568 7.788 -0.220 19498 2916 1 9 . 1 1 19 19 LEU N N 19 117.558 117.558 120.407 -2.849 19498 2917 1 9 . 1 1 19 19 LEU HA H 19 4.135 4.135 4.181 -0.046 19498 2918 1 9 . 1 1 19 19 LEU CA C 19 58.001 58.001 57.948 0.053 19498 2919 1 9 . 1 1 19 19 LEU CB C 19 40.823 40.823 41.723 -0.900 19498 2920 1 9 . 1 1 19 19 LEU H H 19 7.001 7.001 7.650 -0.649 19498 2921 1 9 . 1 1 20 20 PHE N N 20 121.123 121.123 117.575 3.548 19498 2922 1 9 . 1 1 20 20 PHE HA H 20 4.873 4.873 4.201 0.672 19498 2923 1 9 . 1 1 20 20 PHE CA C 20 60.375 60.375 60.669 -0.294 19498 2924 1 9 . 1 1 20 20 PHE CB C 20 38.480 38.480 39.209 -0.729 19498 2925 1 9 . 1 1 20 20 PHE H H 20 8.193 8.193 7.677 0.516 19498 2926 1 9 . 1 1 21 21 GLN N N 21 118.591 118.591 116.108 2.483 19498 2927 1 9 . 1 1 21 21 GLN HA H 21 4.208 4.208 4.232 -0.024 19498 2928 1 9 . 1 1 21 21 GLN CA C 21 58.055 58.055 57.005 1.050 19498 2929 1 9 . 1 1 21 21 GLN CB C 21 28.284 28.284 28.987 -0.703 19498 2930 1 9 . 1 1 21 21 GLN H H 21 7.918 7.918 8.042 -0.124 19498 2931 1 9 . 1 1 22 22 LEU N N 22 118.477 118.477 119.484 -1.007 19498 2932 1 9 . 1 1 22 22 LEU HA H 22 4.534 4.534 4.449 0.085 19498 2933 1 9 . 1 1 22 22 LEU CA C 22 54.033 54.033 54.900 -0.867 19498 2934 1 9 . 1 1 22 22 LEU CB C 22 41.469 41.469 43.665 -2.196 19498 2935 1 9 . 1 1 22 22 LEU H H 22 7.561 7.561 7.556 0.005 19498 2936 1 9 . 1 1 23 23 ASP N N 23 115.410 115.410 118.527 -3.117 19498 2937 1 9 . 1 1 23 23 ASP HA H 23 4.280 4.280 4.154 0.126 19498 2938 1 9 . 1 1 23 23 ASP CA C 23 55.494 55.494 55.605 -0.111 19498 2939 1 9 . 1 1 23 23 ASP CB C 23 39.317 39.317 38.788 0.529 19498 2940 1 9 . 1 1 23 23 ASP H H 23 8.163 8.163 8.000 0.163 19498 2941 1 9 . 1 1 24 24 LEU N N 24 116.367 116.367 114.760 1.607 19498 2942 1 9 . 1 1 24 24 LEU HA H 24 4.790 4.790 4.794 -0.004 19498 2943 1 9 . 1 1 24 24 LEU CA C 24 53.030 53.030 53.427 -0.397 19498 2944 1 9 . 1 1 24 24 LEU CB C 24 43.867 43.867 43.744 0.123 19498 2945 1 9 . 1 1 24 24 LEU H H 24 7.136 7.136 7.372 -0.236 19498 2946 1 9 . 1 1 25 25 ALA N N 25 123.243 123.243 121.307 1.936 19498 2947 1 9 . 1 1 25 25 ALA HA H 25 4.480 4.480 4.747 -0.267 19498 2948 1 9 . 1 1 25 25 ALA CA C 25 50.890 50.890 51.634 -0.744 19498 2949 1 9 . 1 1 25 25 ALA CB C 25 21.655 21.655 21.449 0.206 19498 2950 1 9 . 1 1 25 25 ALA H H 25 8.931 8.931 8.396 0.535 19498 2951 1 9 . 1 1 26 26 VAL N N 26 119.587 119.587 119.899 -0.312 19498 2952 1 9 . 1 1 26 26 VAL HA H 26 4.889 4.889 4.511 0.378 19498 2953 1 9 . 1 1 26 26 VAL CA C 26 61.278 61.278 62.110 -0.832 19498 2954 1 9 . 1 1 26 26 VAL CB C 26 33.310 33.310 35.016 -1.706 19498 2955 1 9 . 1 1 26 26 VAL H H 26 7.575 7.575 8.264 -0.689 19498 2956 1 9 . 1 1 27 27 ILE N N 27 130.377 130.377 126.287 4.090 19498 2957 1 9 . 1 1 27 27 ILE HA H 27 4.489 4.489 4.884 -0.395 19498 2958 1 9 . 1 1 27 27 ILE CA C 27 60.177 60.177 59.916 0.261 19498 2959 1 9 . 1 1 27 27 ILE CB C 27 40.019 40.019 40.676 -0.657 19498 2960 1 9 . 1 1 27 27 ILE H H 27 9.437 9.437 8.311 1.126 19498 2961 1 9 . 1 1 28 28 TYR N N 28 126.844 126.844 120.219 6.625 19498 2962 1 9 . 1 1 28 28 TYR HA H 28 5.709 5.709 5.626 0.083 19498 2963 1 9 . 1 1 28 28 TYR CA C 28 55.486 55.486 54.988 0.498 19498 2964 1 9 . 1 1 28 28 TYR CB C 28 42.019 42.019 41.004 1.015 19498 2965 1 9 . 1 1 28 28 TYR H H 28 8.531 8.531 8.282 0.249 19498 2966 1 9 . 1 1 29 29 ASP N N 29 122.875 122.875 121.990 0.885 19498 2967 1 9 . 1 1 29 29 ASP HA H 29 4.966 4.966 4.764 0.202 19498 2968 1 9 . 1 1 29 29 ASP CA C 29 53.659 53.659 53.747 -0.088 19498 2969 1 9 . 1 1 29 29 ASP CB C 29 44.660 44.660 42.803 1.857 19498 2970 1 9 . 1 1 29 29 ASP H H 29 8.614 8.614 8.575 0.039 19498 2971 1 9 . 1 1 30 30 ASP N N 30 119.325 119.325 123.834 -4.509 19498 2972 1 9 . 1 1 30 30 ASP HA H 30 5.447 5.447 4.522 0.925 19498 2973 1 9 . 1 1 30 30 ASP CA C 30 53.501 53.501 53.492 0.009 19498 2974 1 9 . 1 1 30 30 ASP CB C 30 43.921 43.921 42.286 1.635 19498 2975 1 9 . 1 1 30 30 ASP H H 30 8.607 8.607 8.108 0.499 19498 2976 1 9 . 1 1 31 31 TRP N N 31 120.552 120.552 119.332 1.220 19498 2977 1 9 . 1 1 31 31 TRP HA H 31 4.615 4.615 4.867 -0.252 19498 2978 1 9 . 1 1 31 31 TRP CA C 31 58.000 58.000 56.943 1.057 19498 2979 1 9 . 1 1 31 31 TRP CB C 31 31.500 31.500 29.502 1.998 19498 2980 1 9 . 1 1 31 31 TRP H H 31 8.673 8.673 7.882 0.791 19498 2981 1 9 . 1 1 32 32 TYR CA C 32 52.400 52.400 58.693 -6.293 19498 2982 1 9 . 1 1 32 32 TYR CB C 32 42.350 42.350 39.362 2.988 19498 2983 1 9 . 1 1 33 33 ASP CA C 33 52.400 52.400 55.329 -2.929 19498 2984 1 9 . 1 1 33 33 ASP CB C 33 42.350 42.350 39.555 2.795 19498 2985 1 9 . 1 1 34 34 ALA N N 34 126.709 126.709 120.787 5.922 19498 2986 1 9 . 1 1 34 34 ALA HA H 34 3.845 3.845 4.802 -0.957 19498 2987 1 9 . 1 1 34 34 ALA CA C 34 58.599 58.599 50.566 8.033 19498 2988 1 9 . 1 1 34 34 ALA CB C 34 18.610 18.610 19.918 -1.308 19498 2989 1 9 . 1 1 34 34 ALA H H 34 8.424 8.424 7.966 0.458 19498 2990 1 9 . 1 1 35 35 TYR N N 35 117.123 117.123 122.913 -5.790 19498 2991 1 9 . 1 1 35 35 TYR HA H 35 4.350 4.350 4.186 0.164 19498 2992 1 9 . 1 1 35 35 TYR CA C 35 60.466 60.466 59.988 0.478 19498 2993 1 9 . 1 1 35 35 TYR CB C 35 38.113 38.113 37.485 0.628 19498 2994 1 9 . 1 1 35 35 TYR H H 35 8.334 8.334 9.214 -0.880 19498 2995 1 9 . 1 1 36 36 THR N N 36 108.046 108.046 112.686 -4.640 19498 2996 1 9 . 1 1 36 36 THR HA H 36 4.018 4.018 4.106 -0.088 19498 2997 1 9 . 1 1 36 36 THR CA C 36 61.809 61.809 61.434 0.375 19498 2998 1 9 . 1 1 36 36 THR CB C 36 69.926 69.926 68.528 1.399 19498 2999 1 9 . 1 1 36 36 THR H H 36 7.563 7.563 7.336 0.227 19498 3000 1 9 . 1 1 37 37 ARG N N 37 118.456 118.456 122.423 -3.967 19498 3001 1 9 . 1 1 37 37 ARG CA C 37 57.001 57.001 54.663 2.338 19498 3002 1 9 . 1 1 37 37 ARG H H 37 7.952 7.952 7.737 0.215 19498 3003 1 9 . 1 1 40 40 CYS CA C 40 56.316 56.316 58.854 -2.538 19498 3004 1 9 . 1 1 40 40 CYS CB C 40 29.999 29.999 29.605 0.394 19498 3005 1 9 . 1 1 41 41 ILE N N 41 121.419 121.419 123.872 -2.453 19498 3006 1 9 . 1 1 41 41 ILE HA H 41 4.709 4.709 4.484 0.225 19498 3007 1 9 . 1 1 41 41 ILE CA C 41 60.462 60.462 60.174 0.288 19498 3008 1 9 . 1 1 41 41 ILE CB C 41 42.309 42.309 38.379 3.930 19498 3009 1 9 . 1 1 41 41 ILE H H 41 8.459 8.459 7.978 0.481 19498 3010 1 9 . 1 1 42 42 ARG N N 42 127.916 127.916 127.159 0.757 19498 3011 1 9 . 1 1 42 42 ARG CA C 42 54.501 54.501 54.761 -0.261 19498 3012 1 9 . 1 1 42 42 ARG CB C 42 33.204 33.204 32.606 0.598 19498 3013 1 9 . 1 1 42 42 ARG H H 42 9.004 9.004 8.366 0.638 19498 3014 1 9 . 1 1 43 43 LEU N N 43 124.715 124.715 126.409 -1.694 19498 3015 1 9 . 1 1 43 43 LEU HA H 43 5.538 5.538 4.727 0.811 19498 3016 1 9 . 1 1 43 43 LEU CA C 43 53.266 53.266 53.994 -0.728 19498 3017 1 9 . 1 1 43 43 LEU CB C 43 46.163 46.163 44.199 1.964 19498 3018 1 9 . 1 1 43 43 LEU H H 43 8.757 8.757 8.806 -0.049 19498 3019 1 9 . 1 1 44 44 ARG N N 44 123.499 123.499 127.951 -4.452 19498 3020 1 9 . 1 1 44 44 ARG HA H 44 5.004 5.004 4.913 0.091 19498 3021 1 9 . 1 1 44 44 ARG CA C 44 55.508 55.508 54.715 0.793 19498 3022 1 9 . 1 1 44 44 ARG CB C 44 34.543 34.543 32.814 1.729 19498 3023 1 9 . 1 1 44 44 ARG H H 44 9.366 9.366 9.084 0.282 19498 3024 1 9 . 1 1 45 45 ILE N N 45 122.919 122.919 127.785 -4.866 19498 3025 1 9 . 1 1 45 45 ILE HA H 45 5.260 5.260 4.576 0.684 19498 3026 1 9 . 1 1 45 45 ILE CA C 45 59.933 59.933 58.862 1.071 19498 3027 1 9 . 1 1 45 45 ILE CB C 45 39.751 39.751 38.792 0.959 19498 3028 1 9 . 1 1 45 45 ILE H H 45 8.938 8.938 8.581 0.357 19498 3029 1 9 . 1 1 46 46 GLU N N 46 126.745 126.745 126.280 0.465 19498 3030 1 9 . 1 1 46 46 GLU HA H 46 5.465 5.465 5.094 0.371 19498 3031 1 9 . 1 1 46 46 GLU CA C 46 53.707 53.707 54.219 -0.513 19498 3032 1 9 . 1 1 46 46 GLU CB C 46 35.276 35.276 32.147 3.129 19498 3033 1 9 . 1 1 46 46 GLU H H 46 9.097 9.097 8.724 0.373 19498 3034 1 9 . 1 1 47 47 ASP N N 47 117.988 117.988 119.350 -1.362 19498 3035 1 9 . 1 1 47 47 ASP HA H 47 4.976 4.976 4.971 0.005 19498 3036 1 9 . 1 1 47 47 ASP CA C 47 52.411 52.411 52.020 0.391 19498 3037 1 9 . 1 1 47 47 ASP CB C 47 41.609 41.609 43.935 -2.326 19498 3038 1 9 . 1 1 47 47 ASP H H 47 8.209 8.209 8.170 0.039 19498 3039 1 9 . 1 1 48 48 ARG N N 48 117.098 117.098 123.877 -6.779 19498 3040 1 9 . 1 1 48 48 ARG HA H 48 4.129 4.129 4.412 -0.283 19498 3041 1 9 . 1 1 48 48 ARG CA C 48 58.323 58.323 56.731 1.592 19498 3042 1 9 . 1 1 48 48 ARG CB C 48 29.511 29.511 28.638 0.873 19498 3043 1 9 . 1 1 48 48 ARG H H 48 8.872 8.872 8.641 0.231 19498 3044 1 9 . 1 1 49 49 SER N N 49 115.006 115.006 115.041 -0.035 19498 3045 1 9 . 1 1 49 49 SER HA H 49 4.614 4.614 4.581 0.033 19498 3046 1 9 . 1 1 49 49 SER CA C 49 58.411 58.411 57.748 0.663 19498 3047 1 9 . 1 1 49 49 SER CB C 49 63.806 63.806 63.286 0.520 19498 3048 1 9 . 1 1 49 49 SER H H 49 8.142 8.142 7.745 0.397 19498 3049 1 9 . 1 1 50 50 GLY N N 50 109.042 109.042 109.770 -0.728 19498 3050 1 9 . 1 1 50 50 GLY CA C 50 44.997 44.997 45.307 -0.310 19498 3051 1 9 . 1 1 50 50 GLY H H 50 8.035 8.035 7.954 0.081 19498 3052 1 9 . 1 1 51 51 ASN N N 51 119.842 119.842 117.711 2.131 19498 3053 1 9 . 1 1 51 51 ASN HA H 51 4.546 4.546 4.944 -0.398 19498 3054 1 9 . 1 1 51 51 ASN CA C 51 53.419 53.419 52.335 1.084 19498 3055 1 9 . 1 1 51 51 ASN CB C 51 38.422 38.422 42.051 -3.629 19498 3056 1 9 . 1 1 51 51 ASN H H 51 8.613 8.613 7.963 0.650 19498 3057 1 9 . 1 1 52 52 LEU N N 52 124.085 124.085 122.232 1.853 19498 3058 1 9 . 1 1 52 52 LEU HA H 52 4.142 4.142 4.593 -0.451 19498 3059 1 9 . 1 1 52 52 LEU CA C 52 56.023 56.023 54.644 1.379 19498 3060 1 9 . 1 1 52 52 LEU CB C 52 42.353 42.353 43.165 -0.812 19498 3061 1 9 . 1 1 52 52 LEU H H 52 8.631 8.631 8.508 0.123 19498 3062 1 9 . 1 1 53 53 ILE N N 53 129.362 129.362 123.499 5.863 19498 3063 1 9 . 1 1 53 53 ILE HA H 53 4.137 4.137 4.419 -0.282 19498 3064 1 9 . 1 1 53 53 ILE CA C 53 61.800 61.800 61.627 0.173 19498 3065 1 9 . 1 1 53 53 ILE CB C 53 37.256 37.256 39.079 -1.823 19498 3066 1 9 . 1 1 53 53 ILE H H 53 9.432 9.432 8.554 0.878 19498 3067 1 9 . 1 1 54 54 ASP N N 54 113.575 113.575 118.092 -4.517 19498 3068 1 9 . 1 1 54 54 ASP HA H 54 4.847 4.847 5.022 -0.175 19498 3069 1 9 . 1 1 54 54 ASP CA C 54 53.586 53.586 54.205 -0.619 19498 3070 1 9 . 1 1 54 54 ASP CB C 54 44.500 44.500 44.916 -0.416 19498 3071 1 9 . 1 1 54 54 ASP H H 54 7.761 7.761 8.416 -0.655 19498 3072 1 9 . 1 1 55 55 THR N N 55 115.783 115.783 115.742 0.041 19498 3073 1 9 . 1 1 55 55 THR HA H 55 5.427 5.427 5.061 0.366 19498 3074 1 9 . 1 1 55 55 THR CA C 55 59.185 59.185 61.674 -2.489 19498 3075 1 9 . 1 1 55 55 THR CB C 55 70.551 70.551 71.785 -1.234 19498 3076 1 9 . 1 1 55 55 THR H H 55 10.106 10.106 8.435 1.671 19498 3077 1 9 . 1 1 56 56 SER N N 56 119.808 119.808 118.295 1.513 19498 3078 1 9 . 1 1 56 56 SER HA H 56 4.135 4.135 4.615 -0.480 19498 3079 1 9 . 1 1 56 56 SER CA C 56 58.001 58.001 57.461 0.540 19498 3080 1 9 . 1 1 56 56 SER CB C 56 65.039 65.039 66.209 -1.170 19498 3081 1 9 . 1 1 56 56 SER H H 56 7.872 7.872 8.386 -0.514 19498 3082 1 9 . 1 1 57 57 THR N N 57 117.962 117.962 118.060 -0.098 19498 3083 1 9 . 1 1 57 57 THR HA H 57 4.964 4.964 4.737 0.227 19498 3084 1 9 . 1 1 57 57 THR CA C 57 61.001 61.001 61.976 -0.975 19498 3085 1 9 . 1 1 57 57 THR CB C 57 70.881 70.881 69.838 1.043 19498 3086 1 9 . 1 1 57 57 THR H H 57 7.524 7.524 8.052 -0.528 19498 3087 1 9 . 1 1 58 58 PHE N N 58 123.853 123.853 127.937 -4.084 19498 3088 1 9 . 1 1 58 58 PHE HA H 58 4.603 4.603 4.607 -0.004 19498 3089 1 9 . 1 1 58 58 PHE CA C 58 56.648 56.648 57.416 -0.768 19498 3090 1 9 . 1 1 58 58 PHE CB C 58 43.583 43.583 40.212 3.371 19498 3091 1 9 . 1 1 58 58 PHE H H 58 8.861 8.861 9.347 -0.486 19498 3092 1 9 . 1 1 59 59 TYR N N 59 117.898 117.898 119.277 -1.379 19498 3093 1 9 . 1 1 59 59 TYR HA H 59 5.328 5.328 5.013 0.315 19498 3094 1 9 . 1 1 59 59 TYR CA C 59 56.221 56.221 57.067 -0.846 19498 3095 1 9 . 1 1 59 59 TYR CB C 59 42.106 42.106 39.908 2.198 19498 3096 1 9 . 1 1 59 59 TYR H H 59 8.328 8.328 8.479 -0.151 19498 3097 1 9 . 1 1 60 60 HIS CA C 60 60.065 60.065 55.721 4.344 19498 3098 1 9 . 1 1 60 60 HIS CB C 60 34.284 34.284 31.249 3.035 19498 3099 1 9 . 1 1 61 61 HIS N N 61 121.880 121.880 119.387 2.493 19498 3100 1 9 . 1 1 61 61 HIS CA C 61 58.001 58.001 56.478 1.523 19498 3101 1 9 . 1 1 61 61 HIS CB C 61 29.999 29.999 30.583 -0.584 19498 3102 1 9 . 1 1 61 61 HIS H H 61 7.734 7.734 7.688 0.046 19498 3103 1 9 . 1 1 62 62 ASP N N 62 128.148 128.148 120.106 8.042 19498 3104 1 9 . 1 1 62 62 ASP HA H 62 4.870 4.870 4.353 0.517 19498 3105 1 9 . 1 1 62 62 ASP CA C 62 53.348 53.348 55.076 -1.728 19498 3106 1 9 . 1 1 62 62 ASP CB C 62 42.600 42.600 41.894 0.706 19498 3107 1 9 . 1 1 62 62 ASP H H 62 11.492 11.492 7.976 3.516 19498 3108 1 9 . 1 1 63 63 GLU N N 63 126.564 126.564 124.423 2.141 19498 3109 1 9 . 1 1 63 63 GLU HA H 63 3.795 3.795 3.949 -0.154 19498 3110 1 9 . 1 1 63 63 GLU CA C 63 59.863 59.863 59.475 0.388 19498 3111 1 9 . 1 1 63 63 GLU CB C 63 34.007 34.007 29.168 4.839 19498 3112 1 9 . 1 1 63 63 GLU H H 63 8.982 8.982 8.871 0.111 19498 3113 1 9 . 1 1 64 64 ASP N N 64 117.779 117.779 120.699 -2.920 19498 3114 1 9 . 1 1 64 64 ASP HA H 64 4.401 4.401 4.371 0.030 19498 3115 1 9 . 1 1 64 64 ASP CA C 64 57.664 57.664 57.260 0.404 19498 3116 1 9 . 1 1 64 64 ASP CB C 64 40.369 40.369 40.883 -0.514 19498 3117 1 9 . 1 1 64 64 ASP H H 64 8.272 8.272 8.107 0.165 19498 3118 1 9 . 1 1 65 65 VAL N N 65 121.948 121.948 119.701 2.247 19498 3119 1 9 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.960 -0.574 19498 3120 1 9 . 1 1 65 65 VAL CA C 65 65.913 65.913 65.187 0.726 19498 3121 1 9 . 1 1 65 65 VAL CB C 65 31.465 31.465 31.912 -0.447 19498 3122 1 9 . 1 1 65 65 VAL H H 65 7.335 7.335 7.826 -0.491 19498 3123 1 9 . 1 1 66 66 LEU N N 66 120.747 120.747 121.633 -0.886 19498 3124 1 9 . 1 1 66 66 LEU HA H 66 3.905 3.905 3.989 -0.084 19498 3125 1 9 . 1 1 66 66 LEU CA C 66 58.076 58.076 58.207 -0.131 19498 3126 1 9 . 1 1 66 66 LEU CB C 66 42.160 42.160 40.700 1.460 19498 3127 1 9 . 1 1 66 66 LEU H H 66 8.164 8.164 7.344 0.820 19498 3128 1 9 . 1 1 67 67 PHE N N 67 116.553 116.553 115.602 0.951 19498 3129 1 9 . 1 1 67 67 PHE HA H 67 3.900 3.900 4.213 -0.313 19498 3130 1 9 . 1 1 67 67 PHE CA C 67 62.849 62.849 61.091 1.758 19498 3131 1 9 . 1 1 67 67 PHE CB C 67 38.003 38.003 38.179 -0.176 19498 3132 1 9 . 1 1 67 67 PHE H H 67 8.350 8.350 8.201 0.149 19498 3133 1 9 . 1 1 68 68 ASN N N 68 121.020 121.020 118.792 2.228 19498 3134 1 9 . 1 1 68 68 ASN HA H 68 4.415 4.415 4.454 -0.039 19498 3135 1 9 . 1 1 68 68 ASN CA C 68 56.725 56.725 56.128 0.597 19498 3136 1 9 . 1 1 68 68 ASN CB C 68 38.071 38.071 38.355 -0.284 19498 3137 1 9 . 1 1 68 68 ASN H H 68 8.001 8.001 7.806 0.195 19498 3138 1 9 . 1 1 69 69 MET N N 69 120.402 120.402 118.609 1.793 19498 3139 1 9 . 1 1 69 69 MET HA H 69 4.011 4.011 4.209 -0.198 19498 3140 1 9 . 1 1 69 69 MET CA C 69 59.605 59.605 58.904 0.701 19498 3141 1 9 . 1 1 69 69 MET CB C 69 31.867 31.867 32.731 -0.864 19498 3142 1 9 . 1 1 69 69 MET H H 69 8.465 8.465 7.505 0.960 19498 3143 1 9 . 1 1 70 70 CYS N N 70 117.496 117.496 116.835 0.661 19498 3144 1 9 . 1 1 70 70 CYS CA C 70 63.145 63.145 63.382 -0.237 19498 3145 1 9 . 1 1 70 70 CYS CB C 70 27.510 27.510 26.737 0.773 19498 3146 1 9 . 1 1 70 70 CYS H H 70 7.616 7.616 7.588 0.028 19498 3147 1 9 . 1 1 71 71 THR N N 71 118.640 118.640 115.265 3.375 19498 3148 1 9 . 1 1 71 71 THR HA H 71 4.270 4.270 4.044 0.226 19498 3149 1 9 . 1 1 71 71 THR CA C 71 67.980 67.980 67.001 0.979 19498 3150 1 9 . 1 1 71 71 THR CB C 71 67.949 67.949 68.517 -0.568 19498 3151 1 9 . 1 1 71 71 THR H H 71 8.509 8.509 7.785 0.724 19498 3152 1 9 . 1 1 72 72 ASP HA H 72 4.430 4.430 4.526 -0.096 19498 3153 1 9 . 1 1 72 72 ASP CA C 72 57.590 57.590 57.677 -0.087 19498 3154 1 9 . 1 1 72 72 ASP CB C 72 40.415 40.415 40.812 -0.397 19498 3155 1 9 . 1 1 73 73 TRP N N 73 121.657 121.657 121.488 0.169 19498 3156 1 9 . 1 1 73 73 TRP HA H 73 4.407 4.407 4.424 -0.017 19498 3157 1 9 . 1 1 73 73 TRP CA C 73 62.951 62.951 61.752 1.199 19498 3158 1 9 . 1 1 73 73 TRP CB C 73 29.114 29.114 30.074 -0.960 19498 3159 1 9 . 1 1 73 73 TRP H H 73 7.780 7.780 7.448 0.332 19498 3160 1 9 . 1 1 74 74 LEU N N 74 118.727 118.727 119.349 -0.622 19498 3161 1 9 . 1 1 74 74 LEU HA H 74 3.582 3.582 3.963 -0.381 19498 3162 1 9 . 1 1 74 74 LEU CA C 74 58.184 58.184 58.416 -0.232 19498 3163 1 9 . 1 1 74 74 LEU CB C 74 37.610 37.610 41.842 -4.232 19498 3164 1 9 . 1 1 74 74 LEU H H 74 8.490 8.490 7.941 0.549 19498 3165 1 9 . 1 1 75 75 ASN N N 75 117.962 117.962 117.475 0.487 19498 3166 1 9 . 1 1 75 75 ASN HA H 75 4.527 4.527 4.432 0.095 19498 3167 1 9 . 1 1 75 75 ASN CA C 75 56.501 56.501 56.355 0.146 19498 3168 1 9 . 1 1 75 75 ASN CB C 75 37.999 37.999 38.403 -0.404 19498 3169 1 9 . 1 1 75 75 ASN H H 75 8.639 8.639 8.129 0.510 19498 3170 1 9 . 1 1 76 76 HIS N N 76 120.823 120.823 118.675 2.148 19498 3171 1 9 . 1 1 76 76 HIS HA H 76 4.450 4.450 4.194 0.256 19498 3172 1 9 . 1 1 76 76 HIS CA C 76 58.737 58.737 59.353 -0.616 19498 3173 1 9 . 1 1 76 76 HIS CB C 76 28.007 28.007 29.837 -1.830 19498 3174 1 9 . 1 1 76 76 HIS H H 76 8.158 8.158 7.879 0.279 19498 3175 1 9 . 1 1 77 77 MET N N 77 118.749 118.749 114.674 4.075 19498 3176 1 9 . 1 1 77 77 MET HA H 77 4.071 4.071 4.155 -0.084 19498 3177 1 9 . 1 1 77 77 MET CA C 77 55.827 55.827 57.383 -1.556 19498 3178 1 9 . 1 1 77 77 MET CB C 77 29.541 29.541 31.917 -2.376 19498 3179 1 9 . 1 1 77 77 MET H H 77 8.404 8.404 7.337 1.067 19498 3180 1 9 . 1 1 78 78 TYR N N 78 120.762 120.762 120.494 0.268 19498 3181 1 9 . 1 1 78 78 TYR HA H 78 3.662 3.662 3.981 -0.319 19498 3182 1 9 . 1 1 78 78 TYR CA C 78 62.640 62.640 61.999 0.641 19498 3183 1 9 . 1 1 78 78 TYR CB C 78 37.545 37.545 37.743 -0.198 19498 3184 1 9 . 1 1 78 78 TYR H H 78 8.322 8.322 7.689 0.633 19498 3185 1 9 . 1 1 79 79 ASP N N 79 116.578 116.578 118.281 -1.703 19498 3186 1 9 . 1 1 79 79 ASP HA H 79 4.106 4.106 4.414 -0.308 19498 3187 1 9 . 1 1 79 79 ASP CA C 79 57.410 57.410 57.585 -0.175 19498 3188 1 9 . 1 1 79 79 ASP CB C 79 40.503 40.503 40.286 0.217 19498 3189 1 9 . 1 1 79 79 ASP H H 79 7.460 7.460 8.153 -0.693 19498 3190 1 9 . 1 1 80 80 GLN N N 80 116.175 116.175 119.058 -2.883 19498 3191 1 9 . 1 1 80 80 GLN HA H 80 4.056 4.056 4.042 0.014 19498 3192 1 9 . 1 1 80 80 GLN CA C 80 57.629 57.629 58.258 -0.628 19498 3193 1 9 . 1 1 80 80 GLN CB C 80 29.662 29.662 28.674 0.988 19498 3194 1 9 . 1 1 80 80 GLN H H 80 7.552 7.552 7.745 -0.193 19498 3195 1 9 . 1 1 81 81 LEU N N 81 118.398 118.398 115.517 2.881 19498 3196 1 9 . 1 1 81 81 LEU HA H 81 4.233 4.233 4.206 0.027 19498 3197 1 9 . 1 1 81 81 LEU CA C 81 55.461 55.461 55.134 0.327 19498 3198 1 9 . 1 1 81 81 LEU CB C 81 42.406 42.406 41.766 0.640 19498 3199 1 9 . 1 1 81 81 LEU H H 81 7.957 7.957 7.438 0.519 19498 3200 1 9 . 1 1 82 82 LYS N N 82 119.114 119.114 120.189 -1.075 19498 3201 1 9 . 1 1 82 82 LYS HA H 82 3.841 3.841 4.260 -0.419 19498 3202 1 9 . 1 1 82 82 LYS CA C 82 58.510 58.510 58.518 -0.008 19498 3203 1 9 . 1 1 82 82 LYS CB C 82 30.922 30.922 33.063 -2.141 19498 3204 1 9 . 1 1 82 82 LYS H H 82 7.664 7.664 7.747 -0.083 19498 3205 1 9 . 1 1 83 83 ASP N N 83 118.655 118.655 118.429 0.226 19498 3206 1 9 . 1 1 83 83 ASP HA H 83 4.819 4.819 4.809 0.010 19498 3207 1 9 . 1 1 83 83 ASP CA C 83 53.886 53.886 53.503 0.383 19498 3208 1 9 . 1 1 83 83 ASP CB C 83 40.986 40.986 41.284 -0.298 19498 3209 1 9 . 1 1 83 83 ASP H H 83 7.862 7.862 7.881 -0.019 19498 3210 1 9 . 1 1 84 84 TRP N N 84 121.757 121.757 120.816 0.941 19498 3211 1 9 . 1 1 84 84 TRP CA C 84 58.462 58.462 54.923 3.539 19498 3212 1 9 . 1 1 84 84 TRP CB C 84 28.934 28.934 26.506 2.429 19498 3213 1 9 . 1 1 84 84 TRP H H 84 7.925 7.925 8.226 -0.301 19498 3214 1 10 . 1 1 6 6 SER CA C 6 56.008 56.008 57.407 -1.399 19498 3215 1 10 . 1 1 7 7 GLY N N 7 109.496 109.496 108.291 1.205 19498 3216 1 10 . 1 1 7 7 GLY CA C 7 46.042 46.042 44.857 1.185 19498 3217 1 10 . 1 1 7 7 GLY H H 7 8.432 8.432 8.167 0.265 19498 3218 1 10 . 1 1 8 8 ASN N N 8 119.432 119.432 113.712 5.720 19498 3219 1 10 . 1 1 8 8 ASN HA H 8 4.685 4.685 4.398 0.287 19498 3220 1 10 . 1 1 8 8 ASN CA C 8 53.922 53.922 54.557 -0.635 19498 3221 1 10 . 1 1 8 8 ASN CB C 8 37.970 37.970 37.365 0.605 19498 3222 1 10 . 1 1 8 8 ASN H H 8 8.367 8.367 8.263 0.104 19498 3223 1 10 . 1 1 9 9 LEU N N 9 123.537 123.537 118.973 4.564 19498 3224 1 10 . 1 1 9 9 LEU HA H 9 3.984 3.984 4.252 -0.268 19498 3225 1 10 . 1 1 9 9 LEU CA C 9 56.417 56.417 54.609 1.808 19498 3226 1 10 . 1 1 9 9 LEU CB C 9 41.566 41.566 41.188 0.378 19498 3227 1 10 . 1 1 9 9 LEU H H 9 7.922 7.922 7.825 0.097 19498 3228 1 10 . 1 1 10 10 ALA N N 10 122.287 122.287 123.894 -1.607 19498 3229 1 10 . 1 1 10 10 ALA HA H 10 4.127 4.127 4.000 0.127 19498 3230 1 10 . 1 1 10 10 ALA CA C 10 55.912 55.912 55.191 0.721 19498 3231 1 10 . 1 1 10 10 ALA CB C 10 17.998 17.998 18.068 -0.070 19498 3232 1 10 . 1 1 10 10 ALA H H 10 8.064 8.064 8.163 -0.099 19498 3233 1 10 . 1 1 11 11 ALA N N 11 121.326 121.326 119.584 1.742 19498 3234 1 10 . 1 1 11 11 ALA HA H 11 4.207 4.207 4.219 -0.012 19498 3235 1 10 . 1 1 11 11 ALA CA C 11 54.960 54.960 53.893 1.067 19498 3236 1 10 . 1 1 11 11 ALA CB C 11 17.998 17.998 18.458 -0.460 19498 3237 1 10 . 1 1 11 11 ALA H H 11 8.143 8.143 8.265 -0.122 19498 3238 1 10 . 1 1 12 12 PHE N N 12 122.913 122.913 120.042 2.871 19498 3239 1 10 . 1 1 12 12 PHE HA H 12 4.411 4.411 4.190 0.221 19498 3240 1 10 . 1 1 12 12 PHE CA C 12 61.007 61.007 60.935 0.072 19498 3241 1 10 . 1 1 12 12 PHE CB C 12 39.499 39.499 39.237 0.262 19498 3242 1 10 . 1 1 12 12 PHE H H 12 7.779 7.779 8.157 -0.378 19498 3243 1 10 . 1 1 13 13 LYS N N 13 120.689 120.689 117.568 3.121 19498 3244 1 10 . 1 1 13 13 LYS HA H 13 3.861 3.861 4.057 -0.196 19498 3245 1 10 . 1 1 13 13 LYS CA C 13 59.099 59.099 59.404 -0.305 19498 3246 1 10 . 1 1 13 13 LYS CB C 13 31.867 31.867 32.310 -0.443 19498 3247 1 10 . 1 1 13 13 LYS H H 13 8.614 8.614 8.715 -0.101 19498 3248 1 10 . 1 1 14 14 ALA N N 14 122.076 122.076 120.919 1.157 19498 3249 1 10 . 1 1 14 14 ALA HA H 14 3.182 3.182 4.112 -0.930 19498 3250 1 10 . 1 1 14 14 ALA CA C 14 55.108 55.108 54.809 0.299 19498 3251 1 10 . 1 1 14 14 ALA CB C 14 18.120 18.120 18.121 -0.001 19498 3252 1 10 . 1 1 14 14 ALA H H 14 8.178 8.178 7.789 0.389 19498 3253 1 10 . 1 1 15 15 ALA N N 15 121.714 121.714 119.145 2.569 19498 3254 1 10 . 1 1 15 15 ALA HA H 15 4.040 4.040 4.002 0.038 19498 3255 1 10 . 1 1 15 15 ALA CA C 15 55.158 55.158 54.516 0.642 19498 3256 1 10 . 1 1 15 15 ALA CB C 15 19.042 19.042 18.099 0.943 19498 3257 1 10 . 1 1 15 15 ALA H H 15 7.793 7.793 7.709 0.084 19498 3258 1 10 . 1 1 16 16 THR N N 16 111.959 111.959 114.817 -2.858 19498 3259 1 10 . 1 1 16 16 THR HA H 16 3.705 3.705 3.988 -0.283 19498 3260 1 10 . 1 1 16 16 THR CA C 16 66.762 66.762 66.763 -0.001 19498 3261 1 10 . 1 1 16 16 THR CB C 16 68.213 68.213 68.622 -0.409 19498 3262 1 10 . 1 1 16 16 THR H H 16 8.133 8.133 7.328 0.805 19498 3263 1 10 . 1 1 17 17 ASN N N 17 121.090 121.090 119.789 1.301 19498 3264 1 10 . 1 1 17 17 ASN HA H 17 4.520 4.520 4.543 -0.023 19498 3265 1 10 . 1 1 17 17 ASN CA C 17 56.191 56.191 55.609 0.582 19498 3266 1 10 . 1 1 17 17 ASN CB C 17 38.365 38.365 38.492 -0.127 19498 3267 1 10 . 1 1 17 17 ASN H H 17 8.152 8.152 8.008 0.144 19498 3268 1 10 . 1 1 18 18 LYS N N 18 119.978 119.978 118.815 1.163 19498 3269 1 10 . 1 1 18 18 LYS HA H 18 3.914 3.914 3.895 0.019 19498 3270 1 10 . 1 1 18 18 LYS CA C 18 59.865 59.865 58.746 1.119 19498 3271 1 10 . 1 1 18 18 LYS CB C 18 30.999 30.999 31.777 -0.778 19498 3272 1 10 . 1 1 18 18 LYS H H 18 7.568 7.568 7.545 0.023 19498 3273 1 10 . 1 1 19 19 LEU N N 19 117.558 117.558 119.245 -1.687 19498 3274 1 10 . 1 1 19 19 LEU HA H 19 4.135 4.135 4.239 -0.104 19498 3275 1 10 . 1 1 19 19 LEU CA C 19 58.001 58.001 57.748 0.253 19498 3276 1 10 . 1 1 19 19 LEU CB C 19 40.823 40.823 41.992 -1.169 19498 3277 1 10 . 1 1 19 19 LEU H H 19 7.001 7.001 7.713 -0.712 19498 3278 1 10 . 1 1 20 20 PHE N N 20 121.123 121.123 117.619 3.504 19498 3279 1 10 . 1 1 20 20 PHE HA H 20 4.873 4.873 4.274 0.599 19498 3280 1 10 . 1 1 20 20 PHE CA C 20 60.375 60.375 60.605 -0.230 19498 3281 1 10 . 1 1 20 20 PHE CB C 20 38.480 38.480 38.989 -0.509 19498 3282 1 10 . 1 1 20 20 PHE H H 20 8.193 8.193 8.077 0.116 19498 3283 1 10 . 1 1 21 21 GLN N N 21 118.591 118.591 117.198 1.393 19498 3284 1 10 . 1 1 21 21 GLN HA H 21 4.208 4.208 3.961 0.247 19498 3285 1 10 . 1 1 21 21 GLN CA C 21 58.055 58.055 58.016 0.039 19498 3286 1 10 . 1 1 21 21 GLN CB C 21 28.284 28.284 28.864 -0.580 19498 3287 1 10 . 1 1 21 21 GLN H H 21 7.918 7.918 7.785 0.133 19498 3288 1 10 . 1 1 22 22 LEU N N 22 118.477 118.477 117.778 0.699 19498 3289 1 10 . 1 1 22 22 LEU HA H 22 4.534 4.534 4.516 0.018 19498 3290 1 10 . 1 1 22 22 LEU CA C 22 54.033 54.033 54.308 -0.275 19498 3291 1 10 . 1 1 22 22 LEU CB C 22 41.469 41.469 43.248 -1.779 19498 3292 1 10 . 1 1 22 22 LEU H H 22 7.561 7.561 7.596 -0.035 19498 3293 1 10 . 1 1 23 23 ASP N N 23 115.410 115.410 116.399 -0.989 19498 3294 1 10 . 1 1 23 23 ASP HA H 23 4.280 4.280 4.147 0.133 19498 3295 1 10 . 1 1 23 23 ASP CA C 23 55.494 55.494 55.552 -0.058 19498 3296 1 10 . 1 1 23 23 ASP CB C 23 39.317 39.317 39.082 0.235 19498 3297 1 10 . 1 1 23 23 ASP H H 23 8.163 8.163 7.577 0.586 19498 3298 1 10 . 1 1 24 24 LEU N N 24 116.367 116.367 113.793 2.574 19498 3299 1 10 . 1 1 24 24 LEU HA H 24 4.790 4.790 4.823 -0.033 19498 3300 1 10 . 1 1 24 24 LEU CA C 24 53.030 53.030 53.150 -0.120 19498 3301 1 10 . 1 1 24 24 LEU CB C 24 43.867 43.867 44.596 -0.729 19498 3302 1 10 . 1 1 24 24 LEU H H 24 7.136 7.136 7.831 -0.695 19498 3303 1 10 . 1 1 25 25 ALA N N 25 123.243 123.243 120.373 2.870 19498 3304 1 10 . 1 1 25 25 ALA HA H 25 4.480 4.480 4.899 -0.419 19498 3305 1 10 . 1 1 25 25 ALA CA C 25 50.890 50.890 51.849 -0.959 19498 3306 1 10 . 1 1 25 25 ALA CB C 25 21.655 21.655 21.986 -0.331 19498 3307 1 10 . 1 1 25 25 ALA H H 25 8.931 8.931 8.264 0.667 19498 3308 1 10 . 1 1 26 26 VAL N N 26 119.587 119.587 121.387 -1.800 19498 3309 1 10 . 1 1 26 26 VAL HA H 26 4.889 4.889 5.274 -0.385 19498 3310 1 10 . 1 1 26 26 VAL CA C 26 61.278 61.278 59.959 1.319 19498 3311 1 10 . 1 1 26 26 VAL CB C 26 33.310 33.310 34.937 -1.627 19498 3312 1 10 . 1 1 26 26 VAL H H 26 7.575 7.575 8.392 -0.817 19498 3313 1 10 . 1 1 27 27 ILE N N 27 130.377 130.377 124.893 5.484 19498 3314 1 10 . 1 1 27 27 ILE HA H 27 4.489 4.489 4.860 -0.371 19498 3315 1 10 . 1 1 27 27 ILE CA C 27 60.177 60.177 60.156 0.021 19498 3316 1 10 . 1 1 27 27 ILE CB C 27 40.019 40.019 40.223 -0.204 19498 3317 1 10 . 1 1 27 27 ILE H H 27 9.437 9.437 9.088 0.349 19498 3318 1 10 . 1 1 28 28 TYR N N 28 126.844 126.844 121.544 5.300 19498 3319 1 10 . 1 1 28 28 TYR HA H 28 5.709 5.709 5.849 -0.140 19498 3320 1 10 . 1 1 28 28 TYR CA C 28 55.486 55.486 55.160 0.326 19498 3321 1 10 . 1 1 28 28 TYR CB C 28 42.019 42.019 41.013 1.006 19498 3322 1 10 . 1 1 28 28 TYR H H 28 8.531 8.531 8.265 0.266 19498 3323 1 10 . 1 1 29 29 ASP N N 29 122.875 122.875 122.215 0.660 19498 3324 1 10 . 1 1 29 29 ASP HA H 29 4.966 4.966 5.042 -0.076 19498 3325 1 10 . 1 1 29 29 ASP CA C 29 53.659 53.659 53.877 -0.217 19498 3326 1 10 . 1 1 29 29 ASP CB C 29 44.660 44.660 44.750 -0.090 19498 3327 1 10 . 1 1 29 29 ASP H H 29 8.614 8.614 8.474 0.140 19498 3328 1 10 . 1 1 30 30 ASP N N 30 119.325 119.325 122.676 -3.351 19498 3329 1 10 . 1 1 30 30 ASP HA H 30 5.447 5.447 4.998 0.449 19498 3330 1 10 . 1 1 30 30 ASP CA C 30 53.501 53.501 53.937 -0.436 19498 3331 1 10 . 1 1 30 30 ASP CB C 30 43.921 43.921 44.236 -0.315 19498 3332 1 10 . 1 1 30 30 ASP H H 30 8.607 8.607 8.336 0.271 19498 3333 1 10 . 1 1 31 31 TRP N N 31 120.552 120.552 123.632 -3.080 19498 3334 1 10 . 1 1 31 31 TRP HA H 31 4.615 4.615 4.227 0.388 19498 3335 1 10 . 1 1 31 31 TRP CA C 31 58.000 58.000 57.746 0.254 19498 3336 1 10 . 1 1 31 31 TRP CB C 31 31.500 31.500 28.346 3.154 19498 3337 1 10 . 1 1 31 31 TRP H H 31 8.673 8.673 8.254 0.419 19498 3338 1 10 . 1 1 32 32 TYR CA C 32 52.400 52.400 56.138 -3.738 19498 3339 1 10 . 1 1 32 32 TYR CB C 32 42.350 42.350 38.465 3.885 19498 3340 1 10 . 1 1 33 33 ASP CA C 33 52.400 52.400 55.181 -2.781 19498 3341 1 10 . 1 1 33 33 ASP CB C 33 42.350 42.350 40.632 1.718 19498 3342 1 10 . 1 1 34 34 ALA N N 34 126.709 126.709 126.452 0.257 19498 3343 1 10 . 1 1 34 34 ALA HA H 34 3.845 3.845 4.318 -0.473 19498 3344 1 10 . 1 1 34 34 ALA CA C 34 58.599 58.599 52.026 6.573 19498 3345 1 10 . 1 1 34 34 ALA CB C 34 18.610 18.610 18.973 -0.363 19498 3346 1 10 . 1 1 34 34 ALA H H 34 8.424 8.424 8.030 0.394 19498 3347 1 10 . 1 1 35 35 TYR N N 35 117.123 117.123 124.429 -7.306 19498 3348 1 10 . 1 1 35 35 TYR HA H 35 4.350 4.350 4.200 0.150 19498 3349 1 10 . 1 1 35 35 TYR CA C 35 60.466 60.466 60.810 -0.344 19498 3350 1 10 . 1 1 35 35 TYR CB C 35 38.113 38.113 38.514 -0.401 19498 3351 1 10 . 1 1 35 35 TYR H H 35 8.334 8.334 8.781 -0.447 19498 3352 1 10 . 1 1 36 36 THR N N 36 108.046 108.046 109.060 -1.014 19498 3353 1 10 . 1 1 36 36 THR HA H 36 4.018 4.018 4.106 -0.088 19498 3354 1 10 . 1 1 36 36 THR CA C 36 61.809 61.809 62.773 -0.964 19498 3355 1 10 . 1 1 36 36 THR CB C 36 69.926 69.926 68.737 1.189 19498 3356 1 10 . 1 1 36 36 THR H H 36 7.563 7.563 8.083 -0.520 19498 3357 1 10 . 1 1 37 37 ARG N N 37 118.456 118.456 119.680 -1.224 19498 3358 1 10 . 1 1 37 37 ARG CA C 37 57.001 57.001 56.949 0.052 19498 3359 1 10 . 1 1 37 37 ARG H H 37 7.952 7.952 7.529 0.423 19498 3360 1 10 . 1 1 40 40 CYS CA C 40 56.316 56.316 56.538 -0.222 19498 3361 1 10 . 1 1 40 40 CYS CB C 40 29.999 29.999 31.160 -1.161 19498 3362 1 10 . 1 1 41 41 ILE N N 41 121.419 121.419 119.155 2.264 19498 3363 1 10 . 1 1 41 41 ILE HA H 41 4.709 4.709 4.828 -0.119 19498 3364 1 10 . 1 1 41 41 ILE CA C 41 60.462 60.462 60.857 -0.395 19498 3365 1 10 . 1 1 41 41 ILE CB C 41 42.309 42.309 41.714 0.595 19498 3366 1 10 . 1 1 41 41 ILE H H 41 8.459 8.459 8.256 0.203 19498 3367 1 10 . 1 1 42 42 ARG N N 42 127.916 127.916 125.945 1.971 19498 3368 1 10 . 1 1 42 42 ARG CA C 42 54.501 54.501 54.748 -0.247 19498 3369 1 10 . 1 1 42 42 ARG CB C 42 33.204 33.204 34.250 -1.046 19498 3370 1 10 . 1 1 42 42 ARG H H 42 9.004 9.004 8.293 0.711 19498 3371 1 10 . 1 1 43 43 LEU N N 43 124.715 124.715 125.952 -1.237 19498 3372 1 10 . 1 1 43 43 LEU HA H 43 5.538 5.538 5.066 0.472 19498 3373 1 10 . 1 1 43 43 LEU CA C 43 53.266 53.266 54.378 -1.112 19498 3374 1 10 . 1 1 43 43 LEU CB C 43 46.163 46.163 43.959 2.204 19498 3375 1 10 . 1 1 43 43 LEU H H 43 8.757 8.757 9.220 -0.463 19498 3376 1 10 . 1 1 44 44 ARG N N 44 123.499 123.499 125.442 -1.943 19498 3377 1 10 . 1 1 44 44 ARG HA H 44 5.004 5.004 4.898 0.106 19498 3378 1 10 . 1 1 44 44 ARG CA C 44 55.508 55.508 54.724 0.784 19498 3379 1 10 . 1 1 44 44 ARG CB C 44 34.543 34.543 33.611 0.932 19498 3380 1 10 . 1 1 44 44 ARG H H 44 9.366 9.366 9.304 0.062 19498 3381 1 10 . 1 1 45 45 ILE N N 45 122.919 122.919 127.121 -4.202 19498 3382 1 10 . 1 1 45 45 ILE HA H 45 5.260 5.260 4.841 0.419 19498 3383 1 10 . 1 1 45 45 ILE CA C 45 59.933 59.933 59.218 0.715 19498 3384 1 10 . 1 1 45 45 ILE CB C 45 39.751 39.751 38.277 1.474 19498 3385 1 10 . 1 1 45 45 ILE H H 45 8.938 8.938 8.917 0.021 19498 3386 1 10 . 1 1 46 46 GLU N N 46 126.745 126.745 126.811 -0.066 19498 3387 1 10 . 1 1 46 46 GLU HA H 46 5.465 5.465 4.706 0.759 19498 3388 1 10 . 1 1 46 46 GLU CA C 46 53.707 53.707 54.583 -0.876 19498 3389 1 10 . 1 1 46 46 GLU CB C 46 35.276 35.276 34.219 1.057 19498 3390 1 10 . 1 1 46 46 GLU H H 46 9.097 9.097 8.092 1.005 19498 3391 1 10 . 1 1 47 47 ASP N N 47 117.988 117.988 123.976 -5.988 19498 3392 1 10 . 1 1 47 47 ASP HA H 47 4.976 4.976 4.808 0.168 19498 3393 1 10 . 1 1 47 47 ASP CA C 47 52.411 52.411 53.380 -0.970 19498 3394 1 10 . 1 1 47 47 ASP CB C 47 41.609 41.609 42.984 -1.375 19498 3395 1 10 . 1 1 47 47 ASP H H 47 8.209 8.209 8.821 -0.612 19498 3396 1 10 . 1 1 48 48 ARG N N 48 117.098 117.098 121.946 -4.848 19498 3397 1 10 . 1 1 48 48 ARG HA H 48 4.129 4.129 4.379 -0.250 19498 3398 1 10 . 1 1 48 48 ARG CA C 48 58.323 58.323 56.691 1.632 19498 3399 1 10 . 1 1 48 48 ARG CB C 48 29.511 29.511 29.518 -0.007 19498 3400 1 10 . 1 1 48 48 ARG H H 48 8.872 8.872 8.779 0.093 19498 3401 1 10 . 1 1 49 49 SER N N 49 115.006 115.006 114.468 0.538 19498 3402 1 10 . 1 1 49 49 SER HA H 49 4.614 4.614 4.629 -0.015 19498 3403 1 10 . 1 1 49 49 SER CA C 49 58.411 58.411 57.720 0.691 19498 3404 1 10 . 1 1 49 49 SER CB C 49 63.806 63.806 63.479 0.327 19498 3405 1 10 . 1 1 49 49 SER H H 49 8.142 8.142 8.018 0.124 19498 3406 1 10 . 1 1 50 50 GLY N N 50 109.042 109.042 110.568 -1.526 19498 3407 1 10 . 1 1 50 50 GLY CA C 50 44.997 44.997 45.282 -0.285 19498 3408 1 10 . 1 1 50 50 GLY H H 50 8.035 8.035 7.843 0.192 19498 3409 1 10 . 1 1 51 51 ASN N N 51 119.842 119.842 119.997 -0.155 19498 3410 1 10 . 1 1 51 51 ASN HA H 51 4.546 4.546 4.654 -0.108 19498 3411 1 10 . 1 1 51 51 ASN CA C 51 53.419 53.419 54.378 -0.959 19498 3412 1 10 . 1 1 51 51 ASN CB C 51 38.422 38.422 39.107 -0.685 19498 3413 1 10 . 1 1 51 51 ASN H H 51 8.613 8.613 8.419 0.194 19498 3414 1 10 . 1 1 52 52 LEU N N 52 124.085 124.085 118.304 5.781 19498 3415 1 10 . 1 1 52 52 LEU HA H 52 4.142 4.142 4.731 -0.589 19498 3416 1 10 . 1 1 52 52 LEU CA C 52 56.023 56.023 54.387 1.636 19498 3417 1 10 . 1 1 52 52 LEU CB C 52 42.353 42.353 43.610 -1.257 19498 3418 1 10 . 1 1 52 52 LEU H H 52 8.631 8.631 8.325 0.306 19498 3419 1 10 . 1 1 53 53 ILE N N 53 129.362 129.362 122.518 6.844 19498 3420 1 10 . 1 1 53 53 ILE HA H 53 4.137 4.137 4.351 -0.214 19498 3421 1 10 . 1 1 53 53 ILE CA C 53 61.800 61.800 61.901 -0.101 19498 3422 1 10 . 1 1 53 53 ILE CB C 53 37.256 37.256 38.716 -1.460 19498 3423 1 10 . 1 1 53 53 ILE H H 53 9.432 9.432 8.560 0.872 19498 3424 1 10 . 1 1 54 54 ASP N N 54 113.575 113.575 116.939 -3.364 19498 3425 1 10 . 1 1 54 54 ASP HA H 54 4.847 4.847 4.931 -0.084 19498 3426 1 10 . 1 1 54 54 ASP CA C 54 53.586 53.586 54.230 -0.644 19498 3427 1 10 . 1 1 54 54 ASP CB C 54 44.500 44.500 43.782 0.718 19498 3428 1 10 . 1 1 54 54 ASP H H 54 7.761 7.761 7.699 0.062 19498 3429 1 10 . 1 1 55 55 THR N N 55 115.783 115.783 113.299 2.484 19498 3430 1 10 . 1 1 55 55 THR HA H 55 5.427 5.427 5.289 0.138 19498 3431 1 10 . 1 1 55 55 THR CA C 55 59.185 59.185 60.876 -1.691 19498 3432 1 10 . 1 1 55 55 THR CB C 55 70.551 70.551 71.952 -1.401 19498 3433 1 10 . 1 1 55 55 THR H H 55 10.106 10.106 8.223 1.883 19498 3434 1 10 . 1 1 56 56 SER N N 56 119.808 119.808 118.170 1.638 19498 3435 1 10 . 1 1 56 56 SER HA H 56 4.135 4.135 4.549 -0.414 19498 3436 1 10 . 1 1 56 56 SER CA C 56 58.001 58.001 57.329 0.672 19498 3437 1 10 . 1 1 56 56 SER CB C 56 65.039 65.039 65.013 0.027 19498 3438 1 10 . 1 1 56 56 SER H H 56 7.872 7.872 9.110 -1.238 19498 3439 1 10 . 1 1 57 57 THR N N 57 117.962 117.962 122.355 -4.393 19498 3440 1 10 . 1 1 57 57 THR HA H 57 4.964 4.964 4.631 0.333 19498 3441 1 10 . 1 1 57 57 THR CA C 57 61.001 61.001 61.602 -0.601 19498 3442 1 10 . 1 1 57 57 THR CB C 57 70.881 70.881 70.474 0.407 19498 3443 1 10 . 1 1 57 57 THR H H 57 7.524 7.524 8.117 -0.593 19498 3444 1 10 . 1 1 58 58 PHE N N 58 123.853 123.853 127.207 -3.354 19498 3445 1 10 . 1 1 58 58 PHE HA H 58 4.603 4.603 4.690 -0.087 19498 3446 1 10 . 1 1 58 58 PHE CA C 58 56.648 56.648 57.316 -0.668 19498 3447 1 10 . 1 1 58 58 PHE CB C 58 43.583 43.583 41.143 2.440 19498 3448 1 10 . 1 1 58 58 PHE H H 58 8.861 8.861 8.331 0.530 19498 3449 1 10 . 1 1 59 59 TYR N N 59 117.898 117.898 119.778 -1.880 19498 3450 1 10 . 1 1 59 59 TYR HA H 59 5.328 5.328 4.913 0.415 19498 3451 1 10 . 1 1 59 59 TYR CA C 59 56.221 56.221 56.182 0.039 19498 3452 1 10 . 1 1 59 59 TYR CB C 59 42.106 42.106 39.411 2.695 19498 3453 1 10 . 1 1 59 59 TYR H H 59 8.328 8.328 8.129 0.199 19498 3454 1 10 . 1 1 60 60 HIS CA C 60 60.065 60.065 55.210 4.855 19498 3455 1 10 . 1 1 60 60 HIS CB C 60 34.284 34.284 32.774 1.510 19498 3456 1 10 . 1 1 61 61 HIS N N 61 121.880 121.880 119.105 2.775 19498 3457 1 10 . 1 1 61 61 HIS CA C 61 58.001 58.001 55.391 2.610 19498 3458 1 10 . 1 1 61 61 HIS CB C 61 29.999 29.999 29.005 0.994 19498 3459 1 10 . 1 1 61 61 HIS H H 61 7.734 7.734 8.614 -0.880 19498 3460 1 10 . 1 1 62 62 ASP N N 62 128.148 128.148 122.478 5.670 19498 3461 1 10 . 1 1 62 62 ASP HA H 62 4.870 4.870 4.684 0.186 19498 3462 1 10 . 1 1 62 62 ASP CA C 62 53.348 53.348 53.918 -0.570 19498 3463 1 10 . 1 1 62 62 ASP CB C 62 42.600 42.600 42.622 -0.022 19498 3464 1 10 . 1 1 62 62 ASP H H 62 11.492 11.492 7.920 3.572 19498 3465 1 10 . 1 1 63 63 GLU N N 63 126.564 126.564 126.799 -0.235 19498 3466 1 10 . 1 1 63 63 GLU HA H 63 3.795 3.795 3.982 -0.187 19498 3467 1 10 . 1 1 63 63 GLU CA C 63 59.863 59.863 59.831 0.032 19498 3468 1 10 . 1 1 63 63 GLU CB C 63 34.007 34.007 30.038 3.969 19498 3469 1 10 . 1 1 63 63 GLU H H 63 8.982 8.982 8.851 0.131 19498 3470 1 10 . 1 1 64 64 ASP N N 64 117.779 117.779 119.237 -1.458 19498 3471 1 10 . 1 1 64 64 ASP HA H 64 4.401 4.401 4.542 -0.141 19498 3472 1 10 . 1 1 64 64 ASP CA C 64 57.664 57.664 57.147 0.517 19498 3473 1 10 . 1 1 64 64 ASP CB C 64 40.369 40.369 41.023 -0.654 19498 3474 1 10 . 1 1 64 64 ASP H H 64 8.272 8.272 7.934 0.338 19498 3475 1 10 . 1 1 65 65 VAL N N 65 121.948 121.948 121.254 0.694 19498 3476 1 10 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.726 -0.340 19498 3477 1 10 . 1 1 65 65 VAL CA C 65 65.913 65.913 66.233 -0.320 19498 3478 1 10 . 1 1 65 65 VAL CB C 65 31.465 31.465 31.654 -0.189 19498 3479 1 10 . 1 1 65 65 VAL H H 65 7.335 7.335 8.603 -1.268 19498 3480 1 10 . 1 1 66 66 LEU N N 66 120.747 120.747 121.063 -0.316 19498 3481 1 10 . 1 1 66 66 LEU HA H 66 3.905 3.905 3.923 -0.018 19498 3482 1 10 . 1 1 66 66 LEU CA C 66 58.076 58.076 58.218 -0.142 19498 3483 1 10 . 1 1 66 66 LEU CB C 66 42.160 42.160 40.741 1.419 19498 3484 1 10 . 1 1 66 66 LEU H H 66 8.164 8.164 8.031 0.133 19498 3485 1 10 . 1 1 67 67 PHE N N 67 116.553 116.553 117.659 -1.106 19498 3486 1 10 . 1 1 67 67 PHE HA H 67 3.900 3.900 4.037 -0.137 19498 3487 1 10 . 1 1 67 67 PHE CA C 67 62.849 62.849 62.434 0.415 19498 3488 1 10 . 1 1 67 67 PHE CB C 67 38.003 38.003 38.182 -0.179 19498 3489 1 10 . 1 1 67 67 PHE H H 67 8.350 8.350 7.592 0.758 19498 3490 1 10 . 1 1 68 68 ASN N N 68 121.020 121.020 118.044 2.976 19498 3491 1 10 . 1 1 68 68 ASN HA H 68 4.415 4.415 4.368 0.047 19498 3492 1 10 . 1 1 68 68 ASN CA C 68 56.725 56.725 56.621 0.104 19498 3493 1 10 . 1 1 68 68 ASN CB C 68 38.071 38.071 38.914 -0.844 19498 3494 1 10 . 1 1 68 68 ASN H H 68 8.001 8.001 7.950 0.051 19498 3495 1 10 . 1 1 69 69 MET N N 69 120.402 120.402 118.895 1.507 19498 3496 1 10 . 1 1 69 69 MET HA H 69 4.011 4.011 4.031 -0.020 19498 3497 1 10 . 1 1 69 69 MET CA C 69 59.605 59.605 59.427 0.178 19498 3498 1 10 . 1 1 69 69 MET CB C 69 31.867 31.867 32.338 -0.471 19498 3499 1 10 . 1 1 69 69 MET H H 69 8.465 8.465 8.365 0.100 19498 3500 1 10 . 1 1 70 70 CYS N N 70 117.496 117.496 116.375 1.121 19498 3501 1 10 . 1 1 70 70 CYS CA C 70 63.145 63.145 63.513 -0.368 19498 3502 1 10 . 1 1 70 70 CYS CB C 70 27.510 27.510 27.127 0.383 19498 3503 1 10 . 1 1 70 70 CYS H H 70 7.616 7.616 7.576 0.040 19498 3504 1 10 . 1 1 71 71 THR N N 71 118.640 118.640 115.482 3.158 19498 3505 1 10 . 1 1 71 71 THR HA H 71 4.270 4.270 4.058 0.212 19498 3506 1 10 . 1 1 71 71 THR CA C 71 67.980 67.980 65.806 2.174 19498 3507 1 10 . 1 1 71 71 THR CB C 71 67.949 67.949 68.539 -0.590 19498 3508 1 10 . 1 1 71 71 THR H H 71 8.509 8.509 7.781 0.728 19498 3509 1 10 . 1 1 72 72 ASP HA H 72 4.430 4.430 4.444 -0.014 19498 3510 1 10 . 1 1 72 72 ASP CA C 72 57.590 57.590 58.262 -0.672 19498 3511 1 10 . 1 1 72 72 ASP CB C 72 40.415 40.415 40.843 -0.428 19498 3512 1 10 . 1 1 73 73 TRP N N 73 121.657 121.657 121.086 0.571 19498 3513 1 10 . 1 1 73 73 TRP HA H 73 4.407 4.407 4.341 0.066 19498 3514 1 10 . 1 1 73 73 TRP CA C 73 62.951 62.951 61.620 1.331 19498 3515 1 10 . 1 1 73 73 TRP CB C 73 29.114 29.114 29.717 -0.603 19498 3516 1 10 . 1 1 73 73 TRP H H 73 7.780 7.780 7.569 0.211 19498 3517 1 10 . 1 1 74 74 LEU N N 74 118.727 118.727 118.136 0.591 19498 3518 1 10 . 1 1 74 74 LEU HA H 74 3.582 3.582 3.735 -0.153 19498 3519 1 10 . 1 1 74 74 LEU CA C 74 58.184 58.184 57.736 0.448 19498 3520 1 10 . 1 1 74 74 LEU CB C 74 37.610 37.610 41.448 -3.838 19498 3521 1 10 . 1 1 74 74 LEU H H 74 8.490 8.490 7.732 0.758 19498 3522 1 10 . 1 1 75 75 ASN N N 75 117.962 117.962 117.599 0.363 19498 3523 1 10 . 1 1 75 75 ASN HA H 75 4.527 4.527 4.735 -0.208 19498 3524 1 10 . 1 1 75 75 ASN CA C 75 56.501 56.501 55.758 0.743 19498 3525 1 10 . 1 1 75 75 ASN CB C 75 37.999 37.999 38.463 -0.464 19498 3526 1 10 . 1 1 75 75 ASN H H 75 8.639 8.639 7.861 0.778 19498 3527 1 10 . 1 1 76 76 HIS N N 76 120.823 120.823 119.481 1.342 19498 3528 1 10 . 1 1 76 76 HIS HA H 76 4.450 4.450 4.262 0.188 19498 3529 1 10 . 1 1 76 76 HIS CA C 76 58.737 58.737 59.062 -0.325 19498 3530 1 10 . 1 1 76 76 HIS CB C 76 28.007 28.007 29.677 -1.670 19498 3531 1 10 . 1 1 76 76 HIS H H 76 8.158 8.158 7.849 0.309 19498 3532 1 10 . 1 1 77 77 MET N N 77 118.749 118.749 116.634 2.115 19498 3533 1 10 . 1 1 77 77 MET HA H 77 4.071 4.071 3.467 0.604 19498 3534 1 10 . 1 1 77 77 MET CA C 77 55.827 55.827 58.593 -2.766 19498 3535 1 10 . 1 1 77 77 MET CB C 77 29.541 29.541 31.863 -2.322 19498 3536 1 10 . 1 1 77 77 MET H H 77 8.404 8.404 7.219 1.185 19498 3537 1 10 . 1 1 78 78 TYR N N 78 120.762 120.762 117.986 2.776 19498 3538 1 10 . 1 1 78 78 TYR HA H 78 3.662 3.662 4.038 -0.376 19498 3539 1 10 . 1 1 78 78 TYR CA C 78 62.640 62.640 61.553 1.087 19498 3540 1 10 . 1 1 78 78 TYR CB C 78 37.545 37.545 37.471 0.074 19498 3541 1 10 . 1 1 78 78 TYR H H 78 8.322 8.322 7.473 0.849 19498 3542 1 10 . 1 1 79 79 ASP N N 79 116.578 116.578 117.556 -0.978 19498 3543 1 10 . 1 1 79 79 ASP HA H 79 4.106 4.106 4.356 -0.250 19498 3544 1 10 . 1 1 79 79 ASP CA C 79 57.410 57.410 57.226 0.184 19498 3545 1 10 . 1 1 79 79 ASP CB C 79 40.503 40.503 40.791 -0.288 19498 3546 1 10 . 1 1 79 79 ASP H H 79 7.460 7.460 7.858 -0.398 19498 3547 1 10 . 1 1 80 80 GLN N N 80 116.175 116.175 119.186 -3.011 19498 3548 1 10 . 1 1 80 80 GLN HA H 80 4.056 4.056 4.303 -0.247 19498 3549 1 10 . 1 1 80 80 GLN CA C 80 57.629 57.629 57.596 0.033 19498 3550 1 10 . 1 1 80 80 GLN CB C 80 29.662 29.662 29.027 0.635 19498 3551 1 10 . 1 1 80 80 GLN H H 80 7.552 7.552 7.250 0.302 19498 3552 1 10 . 1 1 81 81 LEU N N 81 118.398 118.398 120.485 -2.087 19498 3553 1 10 . 1 1 81 81 LEU HA H 81 4.233 4.233 4.087 0.146 19498 3554 1 10 . 1 1 81 81 LEU CA C 81 55.461 55.461 57.588 -2.127 19498 3555 1 10 . 1 1 81 81 LEU CB C 81 42.406 42.406 41.848 0.558 19498 3556 1 10 . 1 1 81 81 LEU H H 81 7.957 7.957 7.709 0.248 19498 3557 1 10 . 1 1 82 82 LYS N N 82 119.114 119.114 119.370 -0.256 19498 3558 1 10 . 1 1 82 82 LYS HA H 82 3.841 3.841 4.026 -0.185 19498 3559 1 10 . 1 1 82 82 LYS CA C 82 58.510 58.510 58.916 -0.406 19498 3560 1 10 . 1 1 82 82 LYS CB C 82 30.922 30.922 32.271 -1.349 19498 3561 1 10 . 1 1 82 82 LYS H H 82 7.664 7.664 8.045 -0.381 19498 3562 1 10 . 1 1 83 83 ASP N N 83 118.655 118.655 118.649 0.006 19498 3563 1 10 . 1 1 83 83 ASP HA H 83 4.819 4.819 4.516 0.303 19498 3564 1 10 . 1 1 83 83 ASP CA C 83 53.886 53.886 55.888 -2.002 19498 3565 1 10 . 1 1 83 83 ASP CB C 83 40.986 40.986 41.068 -0.082 19498 3566 1 10 . 1 1 83 83 ASP H H 83 7.862 7.862 7.851 0.011 19498 3567 1 10 . 1 1 84 84 TRP N N 84 121.757 121.757 121.533 0.224 19498 3568 1 10 . 1 1 84 84 TRP CA C 84 58.462 58.462 57.623 0.839 19498 3569 1 10 . 1 1 84 84 TRP CB C 84 28.934 28.934 30.508 -1.574 19498 3570 1 10 . 1 1 84 84 TRP H H 84 7.925 7.925 7.586 0.339 19498 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 71 2.866 -0.364 2.863 19498 2 1 1 "Average Difference" HA 69 0.308 -0.030 0.308 19498 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19498 4 1 1 "Average Difference" CA 77 1.383 -0.040 1.391 19498 5 1 1 "Average Difference" CB 73 1.402 -0.090 1.409 19498 6 1 1 "Average Difference" HN 71 0.683 -0.158 0.669 19498 7 1 2 "Average Difference" N 71 3.192 -0.216 3.207 19498 8 1 2 "Average Difference" HA 69 0.299 -0.026 0.300 19498 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19498 10 1 2 "Average Difference" CA 77 1.431 0.015 1.440 19498 11 1 2 "Average Difference" CB 73 1.490 -0.138 1.494 19498 12 1 2 "Average Difference" HN 71 0.719 -0.192 0.698 19498 13 1 3 "Average Difference" N 71 2.517 -0.395 2.504 19498 14 1 3 "Average Difference" HA 69 0.304 -0.012 0.306 19498 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19498 16 1 3 "Average Difference" CA 77 1.418 -0.059 1.426 19498 17 1 3 "Average Difference" CB 73 1.399 -0.069 1.407 19498 18 1 3 "Average Difference" HN 71 0.691 -0.175 0.674 19498 19 1 4 "Average Difference" N 71 2.845 -0.366 2.842 19498 20 1 4 "Average Difference" HA 69 0.328 0.007 0.330 19498 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19498 22 1 4 "Average Difference" CA 77 1.439 -0.098 1.445 19498 23 1 4 "Average Difference" CB 73 1.442 0.010 1.452 19498 24 1 4 "Average Difference" HN 71 0.657 -0.160 0.641 19498 25 1 5 "Average Difference" N 71 2.858 -0.100 2.876 19498 26 1 5 "Average Difference" HA 69 0.353 -0.025 0.354 19498 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19498 28 1 5 "Average Difference" CA 77 1.519 -0.175 1.518 19498 29 1 5 "Average Difference" CB 73 1.430 -0.105 1.436 19498 30 1 5 "Average Difference" HN 71 0.743 -0.212 0.717 19498 31 1 6 "Average Difference" N 71 2.957 -0.530 2.929 19498 32 1 6 "Average Difference" HA 69 0.323 -0.018 0.325 19498 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19498 34 1 6 "Average Difference" CA 77 1.580 -0.181 1.580 19498 35 1 6 "Average Difference" CB 73 1.422 -0.078 1.430 19498 36 1 6 "Average Difference" HN 71 0.675 -0.217 0.644 19498 37 1 7 "Average Difference" N 71 2.890 -0.422 2.880 19498 38 1 7 "Average Difference" HA 69 0.315 0.017 0.317 19498 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19498 40 1 7 "Average Difference" CA 77 1.367 -0.180 1.364 19498 41 1 7 "Average Difference" CB 73 1.305 -0.018 1.314 19498 42 1 7 "Average Difference" HN 71 0.657 -0.186 0.635 19498 43 1 8 "Average Difference" N 71 3.167 -0.335 3.172 19498 44 1 8 "Average Difference" HA 69 0.349 -0.054 0.348 19498 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19498 46 1 8 "Average Difference" CA 77 1.429 -0.100 1.435 19498 47 1 8 "Average Difference" CB 73 1.422 -0.210 1.416 19498 48 1 8 "Average Difference" HN 71 0.698 -0.271 0.648 19498 49 1 9 "Average Difference" N 71 2.977 -0.311 2.981 19498 50 1 9 "Average Difference" HA 69 0.355 0.021 0.357 19498 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19498 52 1 9 "Average Difference" CA 77 1.689 -0.208 1.687 19498 53 1 9 "Average Difference" CB 73 1.660 -0.188 1.660 19498 54 1 9 "Average Difference" HN 71 0.663 -0.246 0.620 19498 55 1 10 "Average Difference" N 71 2.892 -0.398 2.884 19498 56 1 10 "Average Difference" HA 69 0.302 -0.000 0.304 19498 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19498 58 1 10 "Average Difference" CA 77 1.411 -0.092 1.417 19498 59 1 10 "Average Difference" CB 73 1.322 -0.020 1.331 19498 60 1 10 "Average Difference" HN 71 0.693 -0.186 0.673 19498 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 19498 _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 6 6 SER CA C 6 56.008 56.008 57.872 -1.864 19498 2 1 . 1 1 7 7 GLY N N 7 109.496 109.496 109.759 -0.264 19498 3 1 . 1 1 7 7 GLY CA C 7 46.042 46.042 45.613 0.429 19498 4 1 . 1 1 7 7 GLY H H 7 8.432 8.432 8.527 -0.095 19498 5 1 . 1 1 8 8 ASN N N 8 119.432 119.432 117.817 1.615 19498 6 1 . 1 1 8 8 ASN HA H 8 4.685 4.685 4.565 0.120 19498 7 1 . 1 1 8 8 ASN CA C 8 53.922 53.922 53.771 0.151 19498 8 1 . 1 1 8 8 ASN CB C 8 37.970 37.970 38.263 -0.293 19498 9 1 . 1 1 8 8 ASN H H 8 8.367 8.367 8.058 0.309 19498 10 1 . 1 1 9 9 LEU N N 9 123.537 123.537 119.631 3.906 19498 11 1 . 1 1 9 9 LEU HA H 9 3.984 3.984 4.324 -0.339 19498 12 1 . 1 1 9 9 LEU CA C 9 56.417 56.417 55.012 1.405 19498 13 1 . 1 1 9 9 LEU CB C 9 41.566 41.566 41.622 -0.056 19498 14 1 . 1 1 9 9 LEU H H 9 7.922 7.922 7.722 0.200 19498 15 1 . 1 1 10 10 ALA N N 10 122.287 122.287 123.763 -1.476 19498 16 1 . 1 1 10 10 ALA HA H 10 4.127 4.127 4.006 0.121 19498 17 1 . 1 1 10 10 ALA CA C 10 55.912 55.912 55.267 0.644 19498 18 1 . 1 1 10 10 ALA CB C 10 17.998 17.998 18.141 -0.143 19498 19 1 . 1 1 10 10 ALA H H 10 8.064 8.064 7.999 0.065 19498 20 1 . 1 1 11 11 ALA N N 11 121.326 121.326 119.888 1.439 19498 21 1 . 1 1 11 11 ALA HA H 11 4.207 4.207 4.179 0.028 19498 22 1 . 1 1 11 11 ALA CA C 11 54.960 54.960 54.102 0.858 19498 23 1 . 1 1 11 11 ALA CB C 11 17.998 17.998 18.423 -0.425 19498 24 1 . 1 1 11 11 ALA H H 11 8.143 8.143 8.142 0.001 19498 25 1 . 1 1 12 12 PHE N N 12 122.913 122.913 119.525 3.388 19498 26 1 . 1 1 12 12 PHE HA H 12 4.411 4.411 4.130 0.281 19498 27 1 . 1 1 12 12 PHE CA C 12 61.007 61.007 61.166 -0.159 19498 28 1 . 1 1 12 12 PHE CB C 12 39.499 39.499 39.211 0.288 19498 29 1 . 1 1 12 12 PHE H H 12 7.779 7.779 8.076 -0.297 19498 30 1 . 1 1 13 13 LYS N N 13 120.689 120.689 118.105 2.585 19498 31 1 . 1 1 13 13 LYS HA H 13 3.861 3.861 4.054 -0.193 19498 32 1 . 1 1 13 13 LYS CA C 13 59.099 59.099 58.841 0.258 19498 33 1 . 1 1 13 13 LYS CB C 13 31.867 31.867 31.861 0.006 19498 34 1 . 1 1 13 13 LYS H H 13 8.614 8.614 8.525 0.089 19498 35 1 . 1 1 14 14 ALA N N 14 122.076 122.076 121.076 1.000 19498 36 1 . 1 1 14 14 ALA HA H 14 3.182 3.182 4.133 -0.951 19498 37 1 . 1 1 14 14 ALA CA C 14 55.108 55.108 54.687 0.421 19498 38 1 . 1 1 14 14 ALA CB C 14 18.120 18.120 18.067 0.053 19498 39 1 . 1 1 14 14 ALA H H 14 8.178 8.178 7.638 0.540 19498 40 1 . 1 1 15 15 ALA N N 15 121.714 121.714 119.864 1.850 19498 41 1 . 1 1 15 15 ALA HA H 15 4.040 4.040 4.007 0.033 19498 42 1 . 1 1 15 15 ALA CA C 15 55.158 55.158 54.477 0.681 19498 43 1 . 1 1 15 15 ALA CB C 15 19.042 19.042 18.192 0.850 19498 44 1 . 1 1 15 15 ALA H H 15 7.793 7.793 7.630 0.163 19498 45 1 . 1 1 16 16 THR N N 16 111.959 111.959 114.807 -2.848 19498 46 1 . 1 1 16 16 THR HA H 16 3.705 3.705 3.868 -0.163 19498 47 1 . 1 1 16 16 THR CA C 16 66.762 66.762 67.203 -0.441 19498 48 1 . 1 1 16 16 THR CB C 16 68.213 68.213 68.491 -0.278 19498 49 1 . 1 1 16 16 THR H H 16 8.133 8.133 7.633 0.500 19498 50 1 . 1 1 17 17 ASN N N 17 121.090 121.090 118.535 2.555 19498 51 1 . 1 1 17 17 ASN HA H 17 4.520 4.520 4.567 -0.047 19498 52 1 . 1 1 17 17 ASN CA C 17 56.191 56.191 55.800 0.391 19498 53 1 . 1 1 17 17 ASN CB C 17 38.365 38.365 38.570 -0.205 19498 54 1 . 1 1 17 17 ASN H H 17 8.152 8.152 7.902 0.249 19498 55 1 . 1 1 18 18 LYS N N 18 119.978 119.978 119.186 0.792 19498 56 1 . 1 1 18 18 LYS HA H 18 3.914 3.914 4.063 -0.149 19498 57 1 . 1 1 18 18 LYS CA C 18 59.865 59.865 58.314 1.551 19498 58 1 . 1 1 18 18 LYS CB C 18 30.999 30.999 31.818 -0.819 19498 59 1 . 1 1 18 18 LYS H H 18 7.568 7.568 7.579 -0.011 19498 60 1 . 1 1 19 19 LEU N N 19 117.558 117.558 119.550 -1.992 19498 61 1 . 1 1 19 19 LEU HA H 19 4.135 4.135 4.164 -0.029 19498 62 1 . 1 1 19 19 LEU CA C 19 58.001 58.001 57.776 0.225 19498 63 1 . 1 1 19 19 LEU CB C 19 40.823 40.823 41.783 -0.960 19498 64 1 . 1 1 19 19 LEU H H 19 7.001 7.001 7.632 -0.631 19498 65 1 . 1 1 20 20 PHE N N 20 121.123 121.123 118.049 3.074 19498 66 1 . 1 1 20 20 PHE HA H 20 4.873 4.873 4.200 0.673 19498 67 1 . 1 1 20 20 PHE CA C 20 60.375 60.375 60.961 -0.586 19498 68 1 . 1 1 20 20 PHE CB C 20 38.480 38.480 38.926 -0.447 19498 69 1 . 1 1 20 20 PHE H H 20 8.193 8.193 7.716 0.477 19498 70 1 . 1 1 21 21 GLN N N 21 118.591 118.591 116.476 2.115 19498 71 1 . 1 1 21 21 GLN HA H 21 4.208 4.208 4.101 0.107 19498 72 1 . 1 1 21 21 GLN CA C 21 58.055 58.055 57.691 0.364 19498 73 1 . 1 1 21 21 GLN CB C 21 28.284 28.284 28.808 -0.524 19498 74 1 . 1 1 21 21 GLN H H 21 7.918 7.918 7.909 0.009 19498 75 1 . 1 1 22 22 LEU N N 22 118.477 118.477 118.168 0.309 19498 76 1 . 1 1 22 22 LEU HA H 22 4.534 4.534 4.479 0.055 19498 77 1 . 1 1 22 22 LEU CA C 22 54.033 54.033 54.378 -0.345 19498 78 1 . 1 1 22 22 LEU CB C 22 41.469 41.469 43.025 -1.556 19498 79 1 . 1 1 22 22 LEU H H 22 7.561 7.561 7.535 0.026 19498 80 1 . 1 1 23 23 ASP N N 23 115.410 115.410 117.876 -2.466 19498 81 1 . 1 1 23 23 ASP HA H 23 4.280 4.280 4.152 0.128 19498 82 1 . 1 1 23 23 ASP CA C 23 55.494 55.494 55.484 0.010 19498 83 1 . 1 1 23 23 ASP CB C 23 39.317 39.317 39.041 0.276 19498 84 1 . 1 1 23 23 ASP H H 23 8.163 8.163 7.779 0.384 19498 85 1 . 1 1 24 24 LEU N N 24 116.367 116.367 114.870 1.497 19498 86 1 . 1 1 24 24 LEU HA H 24 4.790 4.790 4.832 -0.042 19498 87 1 . 1 1 24 24 LEU CA C 24 53.030 53.030 53.291 -0.261 19498 88 1 . 1 1 24 24 LEU CB C 24 43.867 43.867 44.064 -0.197 19498 89 1 . 1 1 24 24 LEU H H 24 7.136 7.136 7.586 -0.450 19498 90 1 . 1 1 25 25 ALA N N 25 123.243 123.243 120.957 2.286 19498 91 1 . 1 1 25 25 ALA HA H 25 4.480 4.480 4.767 -0.287 19498 92 1 . 1 1 25 25 ALA CA C 25 50.890 50.890 51.580 -0.690 19498 93 1 . 1 1 25 25 ALA CB C 25 21.655 21.655 21.689 -0.034 19498 94 1 . 1 1 25 25 ALA H H 25 8.931 8.931 8.357 0.574 19498 95 1 . 1 1 26 26 VAL N N 26 119.587 119.587 120.797 -1.210 19498 96 1 . 1 1 26 26 VAL HA H 26 4.889 4.889 4.736 0.153 19498 97 1 . 1 1 26 26 VAL CA C 26 61.278 61.278 61.210 0.068 19498 98 1 . 1 1 26 26 VAL CB C 26 33.310 33.310 34.782 -1.472 19498 99 1 . 1 1 26 26 VAL H H 26 7.575 7.575 8.318 -0.743 19498 100 1 . 1 1 27 27 ILE N N 27 130.377 130.377 124.735 5.642 19498 101 1 . 1 1 27 27 ILE HA H 27 4.489 4.489 4.791 -0.302 19498 102 1 . 1 1 27 27 ILE CA C 27 60.177 60.177 60.373 -0.196 19498 103 1 . 1 1 27 27 ILE CB C 27 40.019 40.019 40.323 -0.304 19498 104 1 . 1 1 27 27 ILE H H 27 9.437 9.437 8.584 0.853 19498 105 1 . 1 1 28 28 TYR N N 28 126.844 126.844 121.809 5.035 19498 106 1 . 1 1 28 28 TYR HA H 28 5.709 5.709 5.674 0.035 19498 107 1 . 1 1 28 28 TYR CA C 28 55.486 55.486 55.061 0.425 19498 108 1 . 1 1 28 28 TYR CB C 28 42.019 42.019 40.798 1.221 19498 109 1 . 1 1 28 28 TYR H H 28 8.531 8.531 8.181 0.350 19498 110 1 . 1 1 29 29 ASP N N 29 122.875 122.875 122.541 0.334 19498 111 1 . 1 1 29 29 ASP HA H 29 4.966 4.966 4.789 0.177 19498 112 1 . 1 1 29 29 ASP CA C 29 53.659 53.659 53.882 -0.223 19498 113 1 . 1 1 29 29 ASP CB C 29 44.660 44.660 43.609 1.051 19498 114 1 . 1 1 29 29 ASP H H 29 8.614 8.614 8.687 -0.073 19498 115 1 . 1 1 30 30 ASP N N 30 119.325 119.325 122.121 -2.796 19498 116 1 . 1 1 30 30 ASP HA H 30 5.447 5.447 4.828 0.619 19498 117 1 . 1 1 30 30 ASP CA C 30 53.501 53.501 53.747 -0.246 19498 118 1 . 1 1 30 30 ASP CB C 30 43.921 43.921 42.741 1.180 19498 119 1 . 1 1 30 30 ASP H H 30 8.607 8.607 8.335 0.272 19498 120 1 . 1 1 31 31 TRP N N 31 120.552 120.552 123.167 -2.615 19498 121 1 . 1 1 31 31 TRP HA H 31 4.615 4.615 4.591 0.025 19498 122 1 . 1 1 31 31 TRP CA C 31 58.000 58.000 57.633 0.367 19498 123 1 . 1 1 31 31 TRP CB C 31 31.500 31.500 29.508 1.993 19498 124 1 . 1 1 31 31 TRP H H 31 8.673 8.673 8.470 0.203 19498 125 1 . 1 1 32 32 TYR CA C 32 52.400 52.400 57.418 -5.018 19498 126 1 . 1 1 32 32 TYR CB C 32 42.350 42.350 39.176 3.174 19498 127 1 . 1 1 33 33 ASP CA C 33 52.400 52.400 54.413 -2.013 19498 128 1 . 1 1 33 33 ASP CB C 33 42.350 42.350 41.129 1.221 19498 129 1 . 1 1 34 34 ALA N N 34 126.709 126.709 122.725 3.984 19498 130 1 . 1 1 34 34 ALA HA H 34 3.845 3.845 4.392 -0.547 19498 131 1 . 1 1 34 34 ALA CA C 34 58.599 58.599 51.837 6.762 19498 132 1 . 1 1 34 34 ALA CB C 34 18.610 18.610 19.426 -0.816 19498 133 1 . 1 1 34 34 ALA H H 34 8.424 8.424 7.812 0.612 19498 134 1 . 1 1 35 35 TYR N N 35 117.123 117.123 121.137 -4.014 19498 135 1 . 1 1 35 35 TYR HA H 35 4.350 4.350 4.373 -0.023 19498 136 1 . 1 1 35 35 TYR CA C 35 60.466 60.466 59.574 0.892 19498 137 1 . 1 1 35 35 TYR CB C 35 38.113 38.113 38.569 -0.456 19498 138 1 . 1 1 35 35 TYR H H 35 8.334 8.334 8.591 -0.257 19498 139 1 . 1 1 36 36 THR N N 36 108.046 108.046 111.727 -3.681 19498 140 1 . 1 1 36 36 THR HA H 36 4.018 4.018 4.158 -0.140 19498 141 1 . 1 1 36 36 THR CA C 36 61.809 61.809 62.034 -0.225 19498 142 1 . 1 1 36 36 THR CB C 36 69.926 69.926 68.387 1.539 19498 143 1 . 1 1 36 36 THR H H 36 7.563 7.563 7.899 -0.336 19498 144 1 . 1 1 37 37 ARG N N 37 118.456 118.456 120.242 -1.786 19498 145 1 . 1 1 37 37 ARG CA C 37 57.001 57.001 56.172 0.829 19498 146 1 . 1 1 37 37 ARG H H 37 7.952 7.952 7.716 0.236 19498 147 1 . 1 1 40 40 CYS CA C 40 56.316 56.316 57.495 -1.179 19498 148 1 . 1 1 40 40 CYS CB C 40 29.999 29.999 30.473 -0.474 19498 149 1 . 1 1 41 41 ILE N N 41 121.419 121.419 122.965 -1.546 19498 150 1 . 1 1 41 41 ILE HA H 41 4.709 4.709 4.601 0.108 19498 151 1 . 1 1 41 41 ILE CA C 41 60.462 60.462 60.663 -0.202 19498 152 1 . 1 1 41 41 ILE CB C 41 42.309 42.309 40.687 1.622 19498 153 1 . 1 1 41 41 ILE H H 41 8.459 8.459 8.427 0.032 19498 154 1 . 1 1 42 42 ARG N N 42 127.916 127.916 126.694 1.222 19498 155 1 . 1 1 42 42 ARG CA C 42 54.501 54.501 54.723 -0.222 19498 156 1 . 1 1 42 42 ARG CB C 42 33.204 33.204 33.273 -0.069 19498 157 1 . 1 1 42 42 ARG H H 42 9.004 9.004 8.718 0.286 19498 158 1 . 1 1 43 43 LEU N N 43 124.715 124.715 126.099 -1.384 19498 159 1 . 1 1 43 43 LEU HA H 43 5.538 5.538 4.891 0.647 19498 160 1 . 1 1 43 43 LEU CA C 43 53.266 53.266 54.240 -0.974 19498 161 1 . 1 1 43 43 LEU CB C 43 46.163 46.163 44.039 2.124 19498 162 1 . 1 1 43 43 LEU H H 43 8.757 8.757 8.967 -0.210 19498 163 1 . 1 1 44 44 ARG N N 44 123.499 123.499 126.451 -2.952 19498 164 1 . 1 1 44 44 ARG HA H 44 5.004 5.004 4.862 0.142 19498 165 1 . 1 1 44 44 ARG CA C 44 55.508 55.508 54.804 0.704 19498 166 1 . 1 1 44 44 ARG CB C 44 34.543 34.543 33.263 1.280 19498 167 1 . 1 1 44 44 ARG H H 44 9.366 9.366 9.125 0.241 19498 168 1 . 1 1 45 45 ILE N N 45 122.919 122.919 127.045 -4.126 19498 169 1 . 1 1 45 45 ILE HA H 45 5.260 5.260 4.658 0.602 19498 170 1 . 1 1 45 45 ILE CA C 45 59.933 59.933 59.022 0.911 19498 171 1 . 1 1 45 45 ILE CB C 45 39.751 39.751 39.070 0.681 19498 172 1 . 1 1 45 45 ILE H H 45 8.938 8.938 8.651 0.287 19498 173 1 . 1 1 46 46 GLU N N 46 126.745 126.745 125.391 1.354 19498 174 1 . 1 1 46 46 GLU HA H 46 5.465 5.465 4.816 0.649 19498 175 1 . 1 1 46 46 GLU CA C 46 53.707 53.707 54.736 -1.030 19498 176 1 . 1 1 46 46 GLU CB C 46 35.276 35.276 33.463 1.813 19498 177 1 . 1 1 46 46 GLU H H 46 9.097 9.097 8.512 0.585 19498 178 1 . 1 1 47 47 ASP N N 47 117.988 117.988 121.700 -3.712 19498 179 1 . 1 1 47 47 ASP HA H 47 4.976 4.976 4.757 0.219 19498 180 1 . 1 1 47 47 ASP CA C 47 52.411 52.411 53.253 -0.842 19498 181 1 . 1 1 47 47 ASP CB C 47 41.609 41.609 43.021 -1.412 19498 182 1 . 1 1 47 47 ASP H H 47 8.209 8.209 8.681 -0.472 19498 183 1 . 1 1 48 48 ARG N N 48 117.098 117.098 121.530 -4.432 19498 184 1 . 1 1 48 48 ARG HA H 48 4.129 4.129 4.332 -0.204 19498 185 1 . 1 1 48 48 ARG CA C 48 58.323 58.323 57.256 1.067 19498 186 1 . 1 1 48 48 ARG CB C 48 29.511 29.511 29.595 -0.084 19498 187 1 . 1 1 48 48 ARG H H 48 8.872 8.872 8.675 0.197 19498 188 1 . 1 1 49 49 SER N N 49 115.006 115.006 114.499 0.507 19498 189 1 . 1 1 49 49 SER HA H 49 4.614 4.614 4.573 0.041 19498 190 1 . 1 1 49 49 SER CA C 49 58.411 58.411 58.236 0.175 19498 191 1 . 1 1 49 49 SER CB C 49 63.806 63.806 63.820 -0.014 19498 192 1 . 1 1 49 49 SER H H 49 8.142 8.142 8.115 0.027 19498 193 1 . 1 1 50 50 GLY N N 50 109.042 109.042 109.827 -0.785 19498 194 1 . 1 1 50 50 GLY CA C 50 44.997 44.997 45.363 -0.366 19498 195 1 . 1 1 50 50 GLY H H 50 8.035 8.035 8.076 -0.041 19498 196 1 . 1 1 51 51 ASN N N 51 119.842 119.842 119.596 0.246 19498 197 1 . 1 1 51 51 ASN HA H 51 4.546 4.546 4.823 -0.277 19498 198 1 . 1 1 51 51 ASN CA C 51 53.419 53.419 52.957 0.463 19498 199 1 . 1 1 51 51 ASN CB C 51 38.422 38.422 39.961 -1.539 19498 200 1 . 1 1 51 51 ASN H H 51 8.613 8.613 8.130 0.483 19498 201 1 . 1 1 52 52 LEU N N 52 124.085 124.085 121.049 3.036 19498 202 1 . 1 1 52 52 LEU HA H 52 4.142 4.142 4.530 -0.388 19498 203 1 . 1 1 52 52 LEU CA C 52 56.023 56.023 55.275 0.748 19498 204 1 . 1 1 52 52 LEU CB C 52 42.353 42.353 42.719 -0.366 19498 205 1 . 1 1 52 52 LEU H H 52 8.631 8.631 8.332 0.299 19498 206 1 . 1 1 53 53 ILE N N 53 129.362 129.362 122.159 7.203 19498 207 1 . 1 1 53 53 ILE HA H 53 4.137 4.137 4.353 -0.216 19498 208 1 . 1 1 53 53 ILE CA C 53 61.800 61.800 61.735 0.065 19498 209 1 . 1 1 53 53 ILE CB C 53 37.256 37.256 38.887 -1.631 19498 210 1 . 1 1 53 53 ILE H H 53 9.432 9.432 8.566 0.866 19498 211 1 . 1 1 54 54 ASP N N 54 113.575 113.575 117.415 -3.840 19498 212 1 . 1 1 54 54 ASP HA H 54 4.847 4.847 4.952 -0.105 19498 213 1 . 1 1 54 54 ASP CA C 54 53.586 53.586 54.223 -0.637 19498 214 1 . 1 1 54 54 ASP CB C 54 44.500 44.500 44.151 0.349 19498 215 1 . 1 1 54 54 ASP H H 54 7.761 7.761 8.013 -0.252 19498 216 1 . 1 1 55 55 THR N N 55 115.783 115.783 114.130 1.653 19498 217 1 . 1 1 55 55 THR HA H 55 5.427 5.427 5.082 0.345 19498 218 1 . 1 1 55 55 THR CA C 55 59.185 59.185 61.156 -1.971 19498 219 1 . 1 1 55 55 THR CB C 55 70.551 70.551 71.555 -1.004 19498 220 1 . 1 1 55 55 THR H H 55 10.106 10.106 8.316 1.790 19498 221 1 . 1 1 56 56 SER N N 56 119.808 119.808 118.870 0.939 19498 222 1 . 1 1 56 56 SER HA H 56 4.135 4.135 4.533 -0.398 19498 223 1 . 1 1 56 56 SER CA C 56 58.001 58.001 57.341 0.660 19498 224 1 . 1 1 56 56 SER CB C 56 65.039 65.039 64.987 0.052 19498 225 1 . 1 1 56 56 SER H H 56 7.872 7.872 8.787 -0.915 19498 226 1 . 1 1 57 57 THR N N 57 117.962 117.962 120.605 -2.643 19498 227 1 . 1 1 57 57 THR HA H 57 4.964 4.964 4.697 0.267 19498 228 1 . 1 1 57 57 THR CA C 57 61.001 61.001 61.810 -0.809 19498 229 1 . 1 1 57 57 THR CB C 57 70.881 70.881 70.205 0.676 19498 230 1 . 1 1 57 57 THR H H 57 7.524 7.524 8.055 -0.531 19498 231 1 . 1 1 58 58 PHE N N 58 123.853 123.853 127.120 -3.267 19498 232 1 . 1 1 58 58 PHE HA H 58 4.603 4.603 4.718 -0.115 19498 233 1 . 1 1 58 58 PHE CA C 58 56.648 56.648 57.347 -0.699 19498 234 1 . 1 1 58 58 PHE CB C 58 43.583 43.583 41.095 2.488 19498 235 1 . 1 1 58 58 PHE H H 58 8.861 8.861 8.976 -0.115 19498 236 1 . 1 1 59 59 TYR N N 59 117.898 117.898 120.757 -2.859 19498 237 1 . 1 1 59 59 TYR HA H 59 5.328 5.328 4.986 0.342 19498 238 1 . 1 1 59 59 TYR CA C 59 56.221 56.221 57.017 -0.796 19498 239 1 . 1 1 59 59 TYR CB C 59 42.106 42.106 39.886 2.220 19498 240 1 . 1 1 59 59 TYR H H 59 8.328 8.328 8.494 -0.165 19498 241 1 . 1 1 60 60 HIS CA C 60 60.065 60.065 55.976 4.089 19498 242 1 . 1 1 60 60 HIS CB C 60 34.284 34.284 31.636 2.649 19498 243 1 . 1 1 61 61 HIS N N 61 121.880 121.880 121.551 0.329 19498 244 1 . 1 1 61 61 HIS CA C 61 58.001 58.001 55.879 2.122 19498 245 1 . 1 1 61 61 HIS CB C 61 29.999 29.999 29.755 0.244 19498 246 1 . 1 1 61 61 HIS H H 61 7.734 7.734 8.286 -0.552 19498 247 1 . 1 1 62 62 ASP N N 62 128.148 128.148 122.488 5.660 19498 248 1 . 1 1 62 62 ASP HA H 62 4.870 4.870 4.583 0.287 19498 249 1 . 1 1 62 62 ASP CA C 62 53.348 53.348 54.470 -1.122 19498 250 1 . 1 1 62 62 ASP CB C 62 42.600 42.600 42.554 0.046 19498 251 1 . 1 1 62 62 ASP H H 62 11.492 11.492 7.986 3.506 19498 252 1 . 1 1 63 63 GLU N N 63 126.564 126.564 123.897 2.667 19498 253 1 . 1 1 63 63 GLU HA H 63 3.795 3.795 3.920 -0.125 19498 254 1 . 1 1 63 63 GLU CA C 63 59.863 59.863 59.606 0.257 19498 255 1 . 1 1 63 63 GLU CB C 63 34.007 34.007 29.712 4.295 19498 256 1 . 1 1 63 63 GLU H H 63 8.982 8.982 8.808 0.174 19498 257 1 . 1 1 64 64 ASP N N 64 117.779 117.779 119.779 -2.000 19498 258 1 . 1 1 64 64 ASP HA H 64 4.401 4.401 4.474 -0.073 19498 259 1 . 1 1 64 64 ASP CA C 64 57.664 57.664 57.284 0.380 19498 260 1 . 1 1 64 64 ASP CB C 64 40.369 40.369 40.789 -0.420 19498 261 1 . 1 1 64 64 ASP H H 64 8.272 8.272 8.061 0.211 19498 262 1 . 1 1 65 65 VAL N N 65 121.948 121.948 120.368 1.580 19498 263 1 . 1 1 65 65 VAL HA H 65 3.386 3.386 3.801 -0.415 19498 264 1 . 1 1 65 65 VAL CA C 65 65.913 65.913 65.625 0.288 19498 265 1 . 1 1 65 65 VAL CB C 65 31.465 31.465 31.765 -0.300 19498 266 1 . 1 1 65 65 VAL H H 65 7.335 7.335 8.069 -0.734 19498 267 1 . 1 1 66 66 LEU N N 66 120.747 120.747 121.183 -0.436 19498 268 1 . 1 1 66 66 LEU HA H 66 3.905 3.905 3.903 0.002 19498 269 1 . 1 1 66 66 LEU CA C 66 58.076 58.076 58.103 -0.027 19498 270 1 . 1 1 66 66 LEU CB C 66 42.160 42.160 40.750 1.410 19498 271 1 . 1 1 66 66 LEU H H 66 8.164 8.164 7.709 0.455 19498 272 1 . 1 1 67 67 PHE N N 67 116.553 116.553 117.270 -0.717 19498 273 1 . 1 1 67 67 PHE HA H 67 3.900 3.900 4.080 -0.180 19498 274 1 . 1 1 67 67 PHE CA C 67 62.849 62.849 62.039 0.810 19498 275 1 . 1 1 67 67 PHE CB C 67 38.003 38.003 38.006 -0.003 19498 276 1 . 1 1 67 67 PHE H H 67 8.350 8.350 7.868 0.482 19498 277 1 . 1 1 68 68 ASN N N 68 121.020 121.020 118.521 2.499 19498 278 1 . 1 1 68 68 ASN HA H 68 4.415 4.415 4.435 -0.020 19498 279 1 . 1 1 68 68 ASN CA C 68 56.725 56.725 56.351 0.374 19498 280 1 . 1 1 68 68 ASN CB C 68 38.071 38.071 38.557 -0.486 19498 281 1 . 1 1 68 68 ASN H H 68 8.001 8.001 7.845 0.157 19498 282 1 . 1 1 69 69 MET N N 69 120.402 120.402 118.768 1.634 19498 283 1 . 1 1 69 69 MET HA H 69 4.011 4.011 4.121 -0.111 19498 284 1 . 1 1 69 69 MET CA C 69 59.605 59.605 59.297 0.308 19498 285 1 . 1 1 69 69 MET CB C 69 31.867 31.867 32.555 -0.688 19498 286 1 . 1 1 69 69 MET H H 69 8.465 8.465 7.912 0.553 19498 287 1 . 1 1 70 70 CYS N N 70 117.496 117.496 117.010 0.486 19498 288 1 . 1 1 70 70 CYS CA C 70 63.145 63.145 63.611 -0.466 19498 289 1 . 1 1 70 70 CYS CB C 70 27.510 27.510 27.070 0.440 19498 290 1 . 1 1 70 70 CYS H H 70 7.616 7.616 7.710 -0.094 19498 291 1 . 1 1 71 71 THR N N 71 118.640 118.640 115.213 3.427 19498 292 1 . 1 1 71 71 THR HA H 71 4.270 4.270 4.089 0.181 19498 293 1 . 1 1 71 71 THR CA C 71 67.980 67.980 66.215 1.765 19498 294 1 . 1 1 71 71 THR CB C 71 67.949 67.949 68.545 -0.596 19498 295 1 . 1 1 71 71 THR H H 71 8.509 8.509 8.042 0.467 19498 296 1 . 1 1 72 72 ASP HA H 72 4.430 4.430 4.472 -0.042 19498 297 1 . 1 1 72 72 ASP CA C 72 57.590 57.590 57.718 -0.128 19498 298 1 . 1 1 72 72 ASP CB C 72 40.415 40.415 40.819 -0.404 19498 299 1 . 1 1 73 73 TRP N N 73 121.657 121.657 121.223 0.434 19498 300 1 . 1 1 73 73 TRP HA H 73 4.407 4.407 4.383 0.024 19498 301 1 . 1 1 73 73 TRP CA C 73 62.951 62.951 61.652 1.299 19498 302 1 . 1 1 73 73 TRP CB C 73 29.114 29.114 29.838 -0.724 19498 303 1 . 1 1 73 73 TRP H H 73 7.780 7.780 7.627 0.154 19498 304 1 . 1 1 74 74 LEU N N 74 118.727 118.727 118.492 0.235 19498 305 1 . 1 1 74 74 LEU HA H 74 3.582 3.582 3.795 -0.213 19498 306 1 . 1 1 74 74 LEU CA C 74 58.184 58.184 57.957 0.227 19498 307 1 . 1 1 74 74 LEU CB C 74 37.610 37.610 41.609 -3.999 19498 308 1 . 1 1 74 74 LEU H H 74 8.490 8.490 7.763 0.727 19498 309 1 . 1 1 75 75 ASN N N 75 117.962 117.962 116.886 1.076 19498 310 1 . 1 1 75 75 ASN HA H 75 4.527 4.527 4.547 -0.020 19498 311 1 . 1 1 75 75 ASN CA C 75 56.501 56.501 55.817 0.683 19498 312 1 . 1 1 75 75 ASN CB C 75 37.999 37.999 38.424 -0.425 19498 313 1 . 1 1 75 75 ASN H H 75 8.639 8.639 7.952 0.687 19498 314 1 . 1 1 76 76 HIS N N 76 120.823 120.823 119.245 1.578 19498 315 1 . 1 1 76 76 HIS HA H 76 4.450 4.450 4.209 0.241 19498 316 1 . 1 1 76 76 HIS CA C 76 58.737 58.737 59.264 -0.528 19498 317 1 . 1 1 76 76 HIS CB C 76 28.007 28.007 29.782 -1.775 19498 318 1 . 1 1 76 76 HIS H H 76 8.158 8.158 7.702 0.457 19498 319 1 . 1 1 77 77 MET N N 77 118.749 118.749 115.549 3.201 19498 320 1 . 1 1 77 77 MET HA H 77 4.071 4.071 3.792 0.279 19498 321 1 . 1 1 77 77 MET CA C 77 55.827 55.827 57.631 -1.804 19498 322 1 . 1 1 77 77 MET CB C 77 29.541 29.541 31.865 -2.324 19498 323 1 . 1 1 77 77 MET H H 77 8.404 8.404 7.220 1.184 19498 324 1 . 1 1 78 78 TYR N N 78 120.762 120.762 119.719 1.043 19498 325 1 . 1 1 78 78 TYR HA H 78 3.662 3.662 3.989 -0.327 19498 326 1 . 1 1 78 78 TYR CA C 78 62.640 62.640 61.608 1.032 19498 327 1 . 1 1 78 78 TYR CB C 78 37.545 37.545 37.632 -0.087 19498 328 1 . 1 1 78 78 TYR H H 78 8.322 8.322 7.513 0.809 19498 329 1 . 1 1 79 79 ASP N N 79 116.578 116.578 117.314 -0.735 19498 330 1 . 1 1 79 79 ASP HA H 79 4.106 4.106 4.350 -0.244 19498 331 1 . 1 1 79 79 ASP CA C 79 57.410 57.410 57.149 0.261 19498 332 1 . 1 1 79 79 ASP CB C 79 40.503 40.503 40.637 -0.134 19498 333 1 . 1 1 79 79 ASP H H 79 7.460 7.460 8.101 -0.641 19498 334 1 . 1 1 80 80 GLN N N 80 116.175 116.175 119.146 -2.971 19498 335 1 . 1 1 80 80 GLN HA H 80 4.056 4.056 4.084 -0.028 19498 336 1 . 1 1 80 80 GLN CA C 80 57.629 57.629 58.251 -0.622 19498 337 1 . 1 1 80 80 GLN CB C 80 29.662 29.662 28.740 0.922 19498 338 1 . 1 1 80 80 GLN H H 80 7.552 7.552 7.780 -0.228 19498 339 1 . 1 1 81 81 LEU N N 81 118.398 118.398 117.476 0.922 19498 340 1 . 1 1 81 81 LEU HA H 81 4.233 4.233 4.192 0.041 19498 341 1 . 1 1 81 81 LEU CA C 81 55.461 55.461 56.238 -0.777 19498 342 1 . 1 1 81 81 LEU CB C 81 42.406 42.406 41.663 0.743 19498 343 1 . 1 1 81 81 LEU H H 81 7.957 7.957 7.591 0.366 19498 344 1 . 1 1 82 82 LYS N N 82 119.114 119.114 118.457 0.657 19498 345 1 . 1 1 82 82 LYS HA H 82 3.841 3.841 4.161 -0.320 19498 346 1 . 1 1 82 82 LYS CA C 82 58.510 58.510 58.448 0.062 19498 347 1 . 1 1 82 82 LYS CB C 82 30.922 30.922 32.503 -1.581 19498 348 1 . 1 1 82 82 LYS H H 82 7.664 7.664 7.601 0.063 19498 349 1 . 1 1 83 83 ASP N N 83 118.655 118.655 118.454 0.201 19498 350 1 . 1 1 83 83 ASP HA H 83 4.819 4.819 4.547 0.272 19498 351 1 . 1 1 83 83 ASP CA C 83 53.886 53.886 55.386 -1.500 19498 352 1 . 1 1 83 83 ASP CB C 83 40.986 40.986 41.331 -0.345 19498 353 1 . 1 1 83 83 ASP H H 83 7.862 7.862 7.766 0.096 19498 354 1 . 1 1 84 84 TRP N N 84 121.757 121.757 120.992 0.765 19498 355 1 . 1 1 84 84 TRP CA C 84 58.462 58.462 56.375 2.087 19498 356 1 . 1 1 84 84 TRP CB C 84 28.934 28.934 29.363 -0.429 19498 357 1 . 1 1 84 84 TRP H H 84 7.925 7.925 7.613 0.312 19498 stop_ save_