data_17843 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17843 _Entry.PDB_ID 2LHG 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 17843 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 THR N N 2 128.406 128.406 119.481 8.925 17843 2 1 1 . 1 1 2 2 THR HA H 2 4.338 4.338 3.918 0.420 17843 3 1 1 . 1 1 2 2 THR C C 2 176.278 176.278 175.649 0.629 17843 4 1 1 . 1 1 2 2 THR H H 2 7.964 7.964 8.154 -0.190 17843 5 1 1 . 1 1 3 3 TYR N N 3 124.128 124.128 114.791 9.337 17843 6 1 1 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.520 -0.318 17843 7 1 1 . 1 1 3 3 TYR C C 3 175.400 175.400 176.095 -0.695 17843 8 1 1 . 1 1 3 3 TYR CA C 3 58.072 58.072 58.625 -0.553 17843 9 1 1 . 1 1 3 3 TYR CB C 3 38.846 38.846 37.059 1.787 17843 10 1 1 . 1 1 3 3 TYR H H 3 8.369 8.369 8.299 0.070 17843 11 1 1 . 1 1 4 4 LYS N N 4 123.685 123.685 117.971 5.714 17843 12 1 1 . 1 1 4 4 LYS HA H 4 4.113 4.113 4.090 0.023 17843 13 1 1 . 1 1 4 4 LYS C C 4 175.956 175.956 177.537 -1.581 17843 14 1 1 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.868 -1.733 17843 15 1 1 . 1 1 4 4 LYS CB C 4 32.758 32.758 32.386 0.372 17843 16 1 1 . 1 1 4 4 LYS H H 4 8.012 8.012 6.862 1.150 17843 17 1 1 . 1 1 5 5 LEU N N 5 122.275 122.275 117.736 4.539 17843 18 1 1 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.249 -0.073 17843 19 1 1 . 1 1 5 5 LEU C C 5 176.937 176.937 177.566 -0.629 17843 20 1 1 . 1 1 5 5 LEU CA C 5 55.520 55.520 55.794 -0.274 17843 21 1 1 . 1 1 5 5 LEU CB C 5 42.008 42.008 43.169 -1.161 17843 22 1 1 . 1 1 5 5 LEU H H 5 7.929 7.929 7.441 0.488 17843 23 1 1 . 1 1 6 6 ILE N N 6 123.581 123.581 118.830 4.751 17843 24 1 1 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.229 -0.014 17843 25 1 1 . 1 1 6 6 ILE C C 6 176.732 176.732 175.881 0.851 17843 26 1 1 . 1 1 6 6 ILE CA C 6 60.992 60.992 60.466 0.526 17843 27 1 1 . 1 1 6 6 ILE CB C 6 38.612 38.612 38.980 -0.368 17843 28 1 1 . 1 1 6 6 ILE H H 6 8.116 8.116 7.682 0.434 17843 29 1 1 . 1 1 7 7 LEU N N 7 125.222 125.222 128.996 -3.774 17843 30 1 1 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.052 0.060 17843 31 1 1 . 1 1 7 7 LEU C C 7 177.405 177.405 178.409 -1.004 17843 32 1 1 . 1 1 7 7 LEU CA C 7 55.541 55.541 58.041 -2.500 17843 33 1 1 . 1 1 7 7 LEU CB C 7 42.593 42.593 41.794 0.799 17843 34 1 1 . 1 1 7 7 LEU H H 7 8.034 8.034 8.815 -0.781 17843 35 1 1 . 1 1 8 8 ASN N N 8 118.212 118.212 115.605 2.607 17843 36 1 1 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.552 -0.350 17843 37 1 1 . 1 1 8 8 ASN C C 8 174.463 174.463 176.731 -2.268 17843 38 1 1 . 1 1 8 8 ASN CA C 8 53.073 53.073 55.509 -2.436 17843 39 1 1 . 1 1 8 8 ASN CB C 8 38.788 38.788 38.041 0.747 17843 40 1 1 . 1 1 8 8 ASN H H 8 8.127 8.127 8.517 -0.390 17843 41 1 1 . 1 1 9 9 LEU N N 9 122.727 122.727 117.577 5.150 17843 42 1 1 . 1 1 9 9 LEU HA H 9 4.227 4.227 4.470 -0.243 17843 43 1 1 . 1 1 9 9 LEU C C 9 177.595 177.595 178.438 -0.843 17843 44 1 1 . 1 1 9 9 LEU CA C 9 58.609 58.609 55.535 3.074 17843 45 1 1 . 1 1 9 9 LEU H H 9 8.204 8.204 7.782 0.422 17843 46 1 1 . 1 1 10 10 LYS N N 10 118.199 118.199 121.730 -3.531 17843 47 1 1 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.117 -0.106 17843 48 1 1 . 1 1 10 10 LYS H H 10 7.952 7.952 8.260 -0.308 17843 49 1 1 . 1 1 11 11 GLN N N 11 117.600 117.600 117.467 0.133 17843 50 1 1 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.345 -0.361 17843 51 1 1 . 1 1 11 11 GLN C C 11 179.161 179.161 177.894 1.267 17843 52 1 1 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.300 -1.364 17843 53 1 1 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.556 1.333 17843 54 1 1 . 1 1 11 11 GLN H H 11 7.586 7.586 7.799 -0.213 17843 55 1 1 . 1 1 12 12 ALA N N 12 122.858 122.858 122.660 0.198 17843 56 1 1 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.133 -0.122 17843 57 1 1 . 1 1 12 12 ALA C C 12 179.161 179.161 178.762 0.399 17843 58 1 1 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.396 0.604 17843 59 1 1 . 1 1 12 12 ALA H H 12 8.285 8.285 7.738 0.547 17843 60 1 1 . 1 1 13 13 LYS N N 13 116.783 116.783 118.547 -1.764 17843 61 1 1 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.948 0.049 17843 62 1 1 . 1 1 13 13 LYS C C 13 177.669 177.669 178.720 -1.051 17843 63 1 1 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.144 0.358 17843 64 1 1 . 1 1 13 13 LYS H H 13 8.086 8.086 7.750 0.336 17843 65 1 1 . 1 1 14 14 GLU N N 14 116.603 116.603 120.489 -3.886 17843 66 1 1 . 1 1 14 14 GLU HA H 14 4.023 4.023 4.066 -0.043 17843 67 1 1 . 1 1 14 14 GLU C C 14 180.113 180.113 179.181 0.932 17843 68 1 1 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.383 -0.628 17843 69 1 1 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.459 0.372 17843 70 1 1 . 1 1 14 14 GLU H H 14 7.533 7.533 7.662 -0.129 17843 71 1 1 . 1 1 15 15 GLU N N 15 119.346 119.346 119.769 -0.423 17843 72 1 1 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.128 -0.092 17843 73 1 1 . 1 1 15 15 GLU C C 15 178.283 178.283 178.845 -0.562 17843 74 1 1 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.916 -1.862 17843 75 1 1 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.531 0.417 17843 76 1 1 . 1 1 15 15 GLU H H 15 8.284 8.284 8.208 0.076 17843 77 1 1 . 1 1 16 16 ALA N N 16 122.070 122.070 122.875 -0.805 17843 78 1 1 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.170 -0.147 17843 79 1 1 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.291 -0.063 17843 80 1 1 . 1 1 16 16 ALA H H 16 8.338 8.338 7.887 0.451 17843 81 1 1 . 1 1 18 18 LYS C C 18 178.327 178.327 178.572 -0.245 17843 82 1 1 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.119 -2.539 17843 83 1 1 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.299 0.166 17843 84 1 1 . 1 1 19 19 GLU N N 19 118.876 118.876 119.072 -0.196 17843 85 1 1 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.091 0.073 17843 86 1 1 . 1 1 19 19 GLU C C 19 178.210 178.210 179.310 -1.100 17843 87 1 1 . 1 1 19 19 GLU CA C 19 57.816 57.816 59.328 -1.512 17843 88 1 1 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.655 -0.058 17843 89 1 1 . 1 1 19 19 GLU H H 19 8.187 8.187 7.945 0.242 17843 90 1 1 . 1 1 20 20 LEU N N 20 120.207 120.207 120.904 -0.697 17843 91 1 1 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.103 -0.003 17843 92 1 1 . 1 1 20 20 LEU C C 20 178.825 178.825 178.953 -0.128 17843 93 1 1 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.127 -0.572 17843 94 1 1 . 1 1 20 20 LEU H H 20 7.957 7.957 7.720 0.237 17843 95 1 1 . 1 1 21 21 VAL N N 21 122.396 122.396 118.638 3.758 17843 96 1 1 . 1 1 21 21 VAL C C 21 177.830 177.830 177.673 0.157 17843 97 1 1 . 1 1 21 21 VAL H H 21 8.807 8.807 8.080 0.727 17843 98 1 1 . 1 1 22 22 ASP N N 22 122.142 122.142 121.193 0.949 17843 99 1 1 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.465 -0.275 17843 100 1 1 . 1 1 22 22 ASP H H 22 8.146 8.146 8.089 0.057 17843 101 1 1 . 1 1 23 23 ALA C C 23 177.615 177.615 178.534 -0.919 17843 102 1 1 . 1 1 24 24 GLY N N 24 108.124 108.124 107.007 1.117 17843 103 1 1 . 1 1 24 24 GLY C C 24 174.273 174.273 174.668 -0.395 17843 104 1 1 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.958 0.270 17843 105 1 1 . 1 1 24 24 GLY H H 24 8.015 8.015 7.708 0.307 17843 106 1 1 . 1 1 25 25 ILE N N 25 118.141 118.141 122.220 -4.079 17843 107 1 1 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.208 -0.236 17843 108 1 1 . 1 1 25 25 ILE C C 25 175.810 175.810 175.377 0.433 17843 109 1 1 . 1 1 25 25 ILE CA C 25 58.185 58.185 60.206 -2.021 17843 110 1 1 . 1 1 25 25 ILE H H 25 7.776 7.776 8.386 -0.610 17843 111 1 1 . 1 1 26 26 ALA N N 26 127.540 127.540 129.934 -2.394 17843 112 1 1 . 1 1 26 26 ALA HA H 26 4.087 4.087 3.932 0.155 17843 113 1 1 . 1 1 26 26 ALA C C 26 177.683 177.683 179.107 -1.424 17843 114 1 1 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.721 -0.947 17843 115 1 1 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.652 0.172 17843 116 1 1 . 1 1 26 26 ALA H H 26 8.316 8.316 8.044 0.272 17843 117 1 1 . 1 1 27 27 GLU N N 27 120.829 120.829 118.384 2.445 17843 118 1 1 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.049 0.089 17843 119 1 1 . 1 1 27 27 GLU C C 27 176.322 176.322 178.642 -2.320 17843 120 1 1 . 1 1 27 27 GLU CA C 27 57.116 57.116 60.066 -2.950 17843 121 1 1 . 1 1 27 27 GLU H H 27 8.188 8.188 8.729 -0.541 17843 122 1 1 . 1 1 28 28 LYS N N 28 116.307 116.307 116.912 -0.605 17843 123 1 1 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.082 -0.174 17843 124 1 1 . 1 1 28 28 LYS C C 28 177.464 177.464 178.713 -1.249 17843 125 1 1 . 1 1 28 28 LYS H H 28 8.018 8.018 7.686 0.332 17843 126 1 1 . 1 1 29 29 TYR N N 29 117.013 117.013 121.226 -4.213 17843 127 1 1 . 1 1 29 29 TYR C C 29 177.595 177.595 176.656 0.939 17843 128 1 1 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.400 -1.771 17843 129 1 1 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.115 0.029 17843 130 1 1 . 1 1 29 29 TYR H H 29 7.291 7.291 7.992 -0.701 17843 131 1 1 . 1 1 30 30 PHE N N 30 118.973 118.973 114.734 4.239 17843 132 1 1 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.383 -0.296 17843 133 1 1 . 1 1 30 30 PHE C C 30 177.083 177.083 176.777 0.306 17843 134 1 1 . 1 1 30 30 PHE CA C 30 57.933 57.933 60.435 -2.502 17843 135 1 1 . 1 1 30 30 PHE CB C 30 45.052 45.052 39.831 5.221 17843 136 1 1 . 1 1 30 30 PHE H H 30 7.957 7.957 8.026 -0.069 17843 137 1 1 . 1 1 31 31 LYS N N 31 118.711 118.711 118.135 0.576 17843 138 1 1 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.242 -0.231 17843 139 1 1 . 1 1 31 31 LYS C C 31 177.449 177.449 177.714 -0.265 17843 140 1 1 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.214 0.629 17843 141 1 1 . 1 1 31 31 LYS H H 31 7.863 7.863 7.778 0.085 17843 142 1 1 . 1 1 32 32 LEU N N 32 117.926 117.926 121.482 -3.556 17843 143 1 1 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.759 0.059 17843 144 1 1 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.813 -0.701 17843 145 1 1 . 1 1 32 32 LEU H H 32 7.297 7.297 7.612 -0.315 17843 146 1 1 . 1 1 33 33 ILE N N 33 118.783 118.783 117.771 1.012 17843 147 1 1 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.835 0.150 17843 148 1 1 . 1 1 33 33 ILE CA C 33 61.814 61.814 62.714 -0.900 17843 149 1 1 . 1 1 33 33 ILE H H 33 7.709 7.709 7.509 0.200 17843 150 1 1 . 1 1 35 35 ASN C C 35 175.400 175.400 174.490 0.910 17843 151 1 1 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.190 0.096 17843 152 1 1 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.600 0.305 17843 153 1 1 . 1 1 36 36 ALA N N 36 124.207 124.207 123.279 0.928 17843 154 1 1 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.604 0.353 17843 155 1 1 . 1 1 36 36 ALA CA C 36 53.501 53.501 51.994 1.507 17843 156 1 1 . 1 1 36 36 ALA H H 36 7.292 7.292 7.671 -0.379 17843 157 1 1 . 1 1 37 37 LYS C C 37 176.761 176.761 176.130 0.631 17843 158 1 1 . 1 1 37 37 LYS CA C 37 56.292 56.292 58.290 -1.998 17843 159 1 1 . 1 1 38 38 THR N N 38 106.253 106.253 107.523 -1.270 17843 160 1 1 . 1 1 38 38 THR HA H 38 4.407 4.407 4.570 -0.163 17843 161 1 1 . 1 1 38 38 THR C C 38 174.112 174.112 175.052 -0.940 17843 162 1 1 . 1 1 38 38 THR H H 38 7.273 7.273 7.303 -0.030 17843 163 1 1 . 1 1 39 39 VAL N N 39 122.396 122.396 121.241 1.155 17843 164 1 1 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.351 0.621 17843 165 1 1 . 1 1 39 39 VAL C C 39 176.527 176.527 176.457 0.070 17843 166 1 1 . 1 1 39 39 VAL CA C 39 67.551 67.551 65.008 2.543 17843 167 1 1 . 1 1 39 39 VAL H H 39 8.821 8.821 8.495 0.326 17843 168 1 1 . 1 1 40 40 GLU N N 40 117.771 117.771 118.807 -1.036 17843 169 1 1 . 1 1 40 40 GLU HA H 40 3.921 3.921 4.092 -0.171 17843 170 1 1 . 1 1 40 40 GLU C C 40 179.574 179.574 178.729 0.845 17843 171 1 1 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.458 0.636 17843 172 1 1 . 1 1 40 40 GLU H H 40 8.596 8.596 8.550 0.046 17843 173 1 1 . 1 1 41 41 GLY N N 41 108.656 108.656 108.561 0.095 17843 174 1 1 . 1 1 41 41 GLY C C 41 176.264 176.264 175.510 0.754 17843 175 1 1 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.808 -1.229 17843 176 1 1 . 1 1 41 41 GLY H H 41 7.945 7.945 7.929 0.016 17843 177 1 1 . 1 1 42 42 VAL N N 42 121.716 121.716 121.334 0.382 17843 178 1 1 . 1 1 42 42 VAL C C 42 177.273 177.273 177.641 -0.368 17843 179 1 1 . 1 1 42 42 VAL CA C 42 66.732 66.732 65.872 0.860 17843 180 1 1 . 1 1 42 42 VAL H H 42 7.809 7.809 7.610 0.199 17843 181 1 1 . 1 1 43 43 TRP N N 43 118.909 118.909 119.463 -0.554 17843 182 1 1 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.441 -0.494 17843 183 1 1 . 1 1 43 43 TRP C C 43 178.781 178.781 178.742 0.039 17843 184 1 1 . 1 1 43 43 TRP CA C 43 59.604 59.604 59.402 0.202 17843 185 1 1 . 1 1 43 43 TRP H H 43 7.498 7.498 7.934 -0.436 17843 186 1 1 . 1 1 44 44 THR N N 44 116.154 116.154 116.705 -0.551 17843 187 1 1 . 1 1 44 44 THR HA H 44 3.985 3.985 4.117 -0.132 17843 188 1 1 . 1 1 44 44 THR C C 44 177.639 177.639 176.842 0.797 17843 189 1 1 . 1 1 44 44 THR CA C 44 66.629 66.629 67.064 -0.435 17843 190 1 1 . 1 1 44 44 THR H H 44 8.157 8.157 8.158 -0.001 17843 191 1 1 . 1 1 45 45 TYR N N 45 121.630 121.630 120.321 1.309 17843 192 1 1 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.357 -0.129 17843 193 1 1 . 1 1 45 45 TYR H H 45 8.066 8.066 7.938 0.128 17843 194 1 1 . 1 1 46 46 LYS N N 46 119.502 119.502 120.639 -1.137 17843 195 1 1 . 1 1 46 46 LYS CA C 46 59.619 59.619 60.566 -0.947 17843 196 1 1 . 1 1 46 46 LYS H H 46 8.422 8.422 8.169 0.253 17843 197 1 1 . 1 1 47 47 ASP N N 47 117.441 117.441 118.231 -0.790 17843 198 1 1 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.468 -0.457 17843 199 1 1 . 1 1 47 47 ASP C C 47 174.917 174.917 178.871 -3.954 17843 200 1 1 . 1 1 47 47 ASP H H 47 7.446 7.446 7.854 -0.408 17843 201 1 1 . 1 1 48 48 GLU N N 48 121.387 121.387 119.952 1.435 17843 202 1 1 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.947 0.012 17843 203 1 1 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.444 1.453 17843 204 1 1 . 1 1 48 48 GLU H H 48 7.718 7.718 7.537 0.181 17843 205 1 1 . 1 1 50 50 LYS C C 50 176.922 176.922 179.174 -2.252 17843 206 1 1 . 1 1 51 51 THR N N 51 110.556 110.556 116.524 -5.968 17843 207 1 1 . 1 1 51 51 THR HA H 51 4.164 4.164 3.999 0.165 17843 208 1 1 . 1 1 51 51 THR C C 51 175.429 175.429 175.484 -0.055 17843 209 1 1 . 1 1 51 51 THR H H 51 7.510 7.510 7.588 -0.078 17843 210 1 1 . 1 1 52 52 PHE N N 52 121.424 121.424 117.539 3.885 17843 211 1 1 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.519 -0.777 17843 212 1 1 . 1 1 52 52 PHE C C 52 177.914 177.914 177.382 0.532 17843 213 1 1 . 1 1 52 52 PHE H H 52 7.574 7.574 7.925 -0.351 17843 214 1 1 . 1 1 53 53 THR N N 53 114.075 114.075 115.228 -1.153 17843 215 1 1 . 1 1 53 53 THR C C 53 177.639 177.639 174.881 2.758 17843 216 1 1 . 1 1 53 53 THR H H 53 7.897 7.897 8.012 -0.115 17843 217 1 1 . 1 1 54 54 VAL N N 54 122.414 122.414 122.970 -0.556 17843 218 1 1 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.950 0.291 17843 219 1 1 . 1 1 54 54 VAL C C 54 179.601 179.601 175.628 3.973 17843 220 1 1 . 1 1 54 54 VAL CA C 54 62.668 62.668 63.157 -0.489 17843 221 1 1 . 1 1 54 54 VAL CB C 54 32.816 32.816 31.920 0.896 17843 222 1 1 . 1 1 54 54 VAL H H 54 8.069 8.069 7.753 0.316 17843 223 1 1 . 1 1 55 55 THR N N 55 118.343 118.343 117.265 1.078 17843 224 1 1 . 1 1 55 55 THR HA H 55 4.126 4.126 4.538 -0.412 17843 225 1 1 . 1 1 55 55 THR C C 55 173.658 173.658 174.754 -1.096 17843 226 1 1 . 1 1 55 55 THR CA C 55 61.819 61.819 61.603 0.216 17843 227 1 1 . 1 1 55 55 THR CB C 55 70.154 70.154 70.012 0.142 17843 228 1 1 . 1 1 55 55 THR H H 55 8.189 8.189 8.472 -0.283 17843 229 1 2 . 1 1 2 2 THR N N 2 128.406 128.406 121.026 7.380 17843 230 1 2 . 1 1 2 2 THR HA H 2 4.338 4.338 4.065 0.273 17843 231 1 2 . 1 1 2 2 THR C C 2 176.278 176.278 176.184 0.094 17843 232 1 2 . 1 1 2 2 THR H H 2 7.964 7.964 8.492 -0.528 17843 233 1 2 . 1 1 3 3 TYR N N 3 124.128 124.128 119.674 4.454 17843 234 1 2 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.298 -0.096 17843 235 1 2 . 1 1 3 3 TYR C C 3 175.400 175.400 176.940 -1.540 17843 236 1 2 . 1 1 3 3 TYR CA C 3 58.072 58.072 58.633 -0.561 17843 237 1 2 . 1 1 3 3 TYR CB C 3 38.846 38.846 37.254 1.592 17843 238 1 2 . 1 1 3 3 TYR H H 3 8.369 8.369 8.263 0.106 17843 239 1 2 . 1 1 4 4 LYS N N 4 123.685 123.685 114.644 9.041 17843 240 1 2 . 1 1 4 4 LYS HA H 4 4.113 4.113 3.078 1.035 17843 241 1 2 . 1 1 4 4 LYS C C 4 175.956 175.956 176.494 -0.538 17843 242 1 2 . 1 1 4 4 LYS CA C 4 56.135 56.135 56.025 0.110 17843 243 1 2 . 1 1 4 4 LYS CB C 4 32.758 32.758 32.079 0.679 17843 244 1 2 . 1 1 4 4 LYS H H 4 8.012 8.012 7.446 0.566 17843 245 1 2 . 1 1 5 5 LEU N N 5 122.275 122.275 118.210 4.065 17843 246 1 2 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.071 0.105 17843 247 1 2 . 1 1 5 5 LEU C C 5 176.937 176.937 176.854 0.083 17843 248 1 2 . 1 1 5 5 LEU CA C 5 55.520 55.520 54.441 1.079 17843 249 1 2 . 1 1 5 5 LEU CB C 5 42.008 42.008 43.047 -1.039 17843 250 1 2 . 1 1 5 5 LEU H H 5 7.929 7.929 7.353 0.576 17843 251 1 2 . 1 1 6 6 ILE N N 6 123.581 123.581 120.441 3.140 17843 252 1 2 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.127 0.088 17843 253 1 2 . 1 1 6 6 ILE C C 6 176.732 176.732 176.510 0.222 17843 254 1 2 . 1 1 6 6 ILE CA C 6 60.992 60.992 61.825 -0.833 17843 255 1 2 . 1 1 6 6 ILE CB C 6 38.612 38.612 37.868 0.744 17843 256 1 2 . 1 1 6 6 ILE H H 6 8.116 8.116 7.221 0.895 17843 257 1 2 . 1 1 7 7 LEU N N 7 125.222 125.222 128.096 -2.874 17843 258 1 2 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.446 -0.334 17843 259 1 2 . 1 1 7 7 LEU C C 7 177.405 177.405 176.603 0.802 17843 260 1 2 . 1 1 7 7 LEU CA C 7 55.541 55.541 55.882 -0.341 17843 261 1 2 . 1 1 7 7 LEU CB C 7 42.593 42.593 42.362 0.230 17843 262 1 2 . 1 1 7 7 LEU H H 7 8.034 8.034 8.617 -0.583 17843 263 1 2 . 1 1 8 8 ASN N N 8 118.212 118.212 117.815 0.397 17843 264 1 2 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.673 -0.471 17843 265 1 2 . 1 1 8 8 ASN C C 8 174.463 174.463 176.142 -1.679 17843 266 1 2 . 1 1 8 8 ASN CA C 8 53.073 53.073 52.637 0.436 17843 267 1 2 . 1 1 8 8 ASN CB C 8 38.788 38.788 38.894 -0.106 17843 268 1 2 . 1 1 8 8 ASN H H 8 8.127 8.127 7.606 0.521 17843 269 1 2 . 1 1 9 9 LEU N N 9 122.727 122.727 129.434 -6.707 17843 270 1 2 . 1 1 9 9 LEU HA H 9 4.227 4.227 3.968 0.259 17843 271 1 2 . 1 1 9 9 LEU C C 9 177.595 177.595 177.802 -0.207 17843 272 1 2 . 1 1 9 9 LEU CA C 9 58.609 58.609 57.707 0.902 17843 273 1 2 . 1 1 9 9 LEU H H 9 8.204 8.204 8.929 -0.725 17843 274 1 2 . 1 1 10 10 LYS N N 10 118.199 118.199 119.612 -1.413 17843 275 1 2 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.887 0.124 17843 276 1 2 . 1 1 10 10 LYS H H 10 7.952 7.952 8.388 -0.436 17843 277 1 2 . 1 1 11 11 GLN N N 11 117.600 117.600 117.419 0.181 17843 278 1 2 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.279 -0.295 17843 279 1 2 . 1 1 11 11 GLN C C 11 179.161 179.161 178.476 0.685 17843 280 1 2 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.974 -2.038 17843 281 1 2 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.590 1.299 17843 282 1 2 . 1 1 11 11 GLN H H 11 7.586 7.586 8.636 -1.050 17843 283 1 2 . 1 1 12 12 ALA N N 12 122.858 122.858 123.325 -0.467 17843 284 1 2 . 1 1 12 12 ALA HA H 12 4.011 4.011 3.987 0.024 17843 285 1 2 . 1 1 12 12 ALA C C 12 179.161 179.161 179.397 -0.236 17843 286 1 2 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.495 0.506 17843 287 1 2 . 1 1 12 12 ALA H H 12 8.285 8.285 8.580 -0.295 17843 288 1 2 . 1 1 13 13 LYS N N 13 116.783 116.783 118.829 -2.046 17843 289 1 2 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.992 0.005 17843 290 1 2 . 1 1 13 13 LYS C C 13 177.669 177.669 179.071 -1.402 17843 291 1 2 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.938 -0.437 17843 292 1 2 . 1 1 13 13 LYS H H 13 8.086 8.086 8.358 -0.272 17843 293 1 2 . 1 1 14 14 GLU N N 14 116.603 116.603 119.612 -3.009 17843 294 1 2 . 1 1 14 14 GLU HA H 14 4.023 4.023 3.983 0.040 17843 295 1 2 . 1 1 14 14 GLU C C 14 180.113 180.113 179.405 0.708 17843 296 1 2 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.688 -0.933 17843 297 1 2 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.435 0.396 17843 298 1 2 . 1 1 14 14 GLU H H 14 7.533 7.533 8.018 -0.485 17843 299 1 2 . 1 1 15 15 GLU N N 15 119.346 119.346 118.977 0.369 17843 300 1 2 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.008 0.028 17843 301 1 2 . 1 1 15 15 GLU C C 15 178.283 178.283 178.556 -0.273 17843 302 1 2 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.606 -1.552 17843 303 1 2 . 1 1 15 15 GLU CB C 15 29.948 29.948 28.941 1.007 17843 304 1 2 . 1 1 15 15 GLU H H 15 8.284 8.284 8.003 0.281 17843 305 1 2 . 1 1 16 16 ALA N N 16 122.070 122.070 122.153 -0.083 17843 306 1 2 . 1 1 16 16 ALA HA H 16 4.023 4.023 3.984 0.039 17843 307 1 2 . 1 1 16 16 ALA CA C 16 55.228 55.228 54.837 0.390 17843 308 1 2 . 1 1 16 16 ALA H H 16 8.338 8.338 7.694 0.644 17843 309 1 2 . 1 1 18 18 LYS C C 18 178.327 178.327 178.575 -0.248 17843 310 1 2 . 1 1 18 18 LYS CA C 18 57.580 57.580 59.978 -2.398 17843 311 1 2 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.113 0.352 17843 312 1 2 . 1 1 19 19 GLU N N 19 118.876 118.876 119.083 -0.207 17843 313 1 2 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.167 -0.003 17843 314 1 2 . 1 1 19 19 GLU C C 19 178.210 178.210 179.112 -0.902 17843 315 1 2 . 1 1 19 19 GLU CA C 19 57.816 57.816 59.460 -1.644 17843 316 1 2 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.350 0.247 17843 317 1 2 . 1 1 19 19 GLU H H 19 8.187 8.187 7.986 0.201 17843 318 1 2 . 1 1 20 20 LEU N N 20 120.207 120.207 119.600 0.607 17843 319 1 2 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.122 -0.022 17843 320 1 2 . 1 1 20 20 LEU C C 20 178.825 178.825 179.177 -0.352 17843 321 1 2 . 1 1 20 20 LEU CA C 20 57.555 57.555 57.559 -0.004 17843 322 1 2 . 1 1 20 20 LEU H H 20 7.957 7.957 7.516 0.441 17843 323 1 2 . 1 1 21 21 VAL N N 21 122.396 122.396 120.492 1.904 17843 324 1 2 . 1 1 21 21 VAL C C 21 177.830 177.830 178.150 -0.320 17843 325 1 2 . 1 1 21 21 VAL H H 21 8.807 8.807 8.417 0.390 17843 326 1 2 . 1 1 22 22 ASP N N 22 122.142 122.142 120.138 2.004 17843 327 1 2 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.460 -0.270 17843 328 1 2 . 1 1 22 22 ASP H H 22 8.146 8.146 8.260 -0.114 17843 329 1 2 . 1 1 23 23 ALA C C 23 177.615 177.615 178.430 -0.815 17843 330 1 2 . 1 1 24 24 GLY N N 24 108.124 108.124 105.126 2.998 17843 331 1 2 . 1 1 24 24 GLY C C 24 174.273 174.273 174.304 -0.031 17843 332 1 2 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.671 0.557 17843 333 1 2 . 1 1 24 24 GLY H H 24 8.015 8.015 7.970 0.045 17843 334 1 2 . 1 1 25 25 ILE N N 25 118.141 118.141 122.383 -4.242 17843 335 1 2 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.337 -0.365 17843 336 1 2 . 1 1 25 25 ILE C C 25 175.810 175.810 174.848 0.962 17843 337 1 2 . 1 1 25 25 ILE CA C 25 58.185 58.185 60.564 -2.379 17843 338 1 2 . 1 1 25 25 ILE H H 25 7.776 7.776 8.288 -0.512 17843 339 1 2 . 1 1 26 26 ALA N N 26 127.540 127.540 130.507 -2.967 17843 340 1 2 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.709 -0.622 17843 341 1 2 . 1 1 26 26 ALA C C 26 177.683 177.683 178.866 -1.183 17843 342 1 2 . 1 1 26 26 ALA CA C 26 54.774 54.774 54.329 0.445 17843 343 1 2 . 1 1 26 26 ALA CB C 26 18.824 18.824 19.148 -0.324 17843 344 1 2 . 1 1 26 26 ALA H H 26 8.316 8.316 8.885 -0.569 17843 345 1 2 . 1 1 27 27 GLU N N 27 120.829 120.829 118.843 1.986 17843 346 1 2 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.170 -0.032 17843 347 1 2 . 1 1 27 27 GLU C C 27 176.322 176.322 178.430 -2.108 17843 348 1 2 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.297 -2.181 17843 349 1 2 . 1 1 27 27 GLU H H 27 8.188 8.188 8.663 -0.475 17843 350 1 2 . 1 1 28 28 LYS N N 28 116.307 116.307 117.213 -0.906 17843 351 1 2 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.168 -0.260 17843 352 1 2 . 1 1 28 28 LYS C C 28 177.464 177.464 178.875 -1.411 17843 353 1 2 . 1 1 28 28 LYS H H 28 8.018 8.018 8.494 -0.476 17843 354 1 2 . 1 1 29 29 TYR N N 29 117.013 117.013 119.019 -2.006 17843 355 1 2 . 1 1 29 29 TYR C C 29 177.595 177.595 177.467 0.128 17843 356 1 2 . 1 1 29 29 TYR CA C 29 59.629 59.629 60.962 -1.333 17843 357 1 2 . 1 1 29 29 TYR CB C 29 38.144 38.144 37.470 0.674 17843 358 1 2 . 1 1 29 29 TYR H H 29 7.291 7.291 8.019 -0.728 17843 359 1 2 . 1 1 30 30 PHE N N 30 118.973 118.973 117.849 1.124 17843 360 1 2 . 1 1 30 30 PHE HA H 30 4.087 4.087 3.968 0.119 17843 361 1 2 . 1 1 30 30 PHE C C 30 177.083 177.083 175.588 1.495 17843 362 1 2 . 1 1 30 30 PHE CA C 30 57.933 57.933 60.390 -2.457 17843 363 1 2 . 1 1 30 30 PHE CB C 30 45.052 45.052 39.203 5.849 17843 364 1 2 . 1 1 30 30 PHE H H 30 7.957 7.957 7.061 0.896 17843 365 1 2 . 1 1 31 31 LYS N N 31 118.711 118.711 117.595 1.116 17843 366 1 2 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.148 -0.137 17843 367 1 2 . 1 1 31 31 LYS C C 31 177.449 177.449 178.411 -0.962 17843 368 1 2 . 1 1 31 31 LYS CA C 31 58.843 58.843 57.978 0.865 17843 369 1 2 . 1 1 31 31 LYS H H 31 7.863 7.863 7.344 0.519 17843 370 1 2 . 1 1 32 32 LEU N N 32 117.926 117.926 120.535 -2.609 17843 371 1 2 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.837 -0.019 17843 372 1 2 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.540 -0.428 17843 373 1 2 . 1 1 32 32 LEU H H 32 7.297 7.297 7.951 -0.654 17843 374 1 2 . 1 1 33 33 ILE N N 33 118.783 118.783 116.332 2.451 17843 375 1 2 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.955 0.030 17843 376 1 2 . 1 1 33 33 ILE CA C 33 61.814 61.814 64.169 -2.355 17843 377 1 2 . 1 1 33 33 ILE H H 33 7.709 7.709 7.302 0.407 17843 378 1 2 . 1 1 35 35 ASN C C 35 175.400 175.400 174.285 1.115 17843 379 1 2 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.072 0.214 17843 380 1 2 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.078 0.827 17843 381 1 2 . 1 1 36 36 ALA N N 36 124.207 124.207 122.315 1.892 17843 382 1 2 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.478 0.479 17843 383 1 2 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.033 1.468 17843 384 1 2 . 1 1 36 36 ALA H H 36 7.292 7.292 7.906 -0.614 17843 385 1 2 . 1 1 37 37 LYS C C 37 176.761 176.761 176.002 0.759 17843 386 1 2 . 1 1 37 37 LYS CA C 37 56.292 56.292 57.432 -1.141 17843 387 1 2 . 1 1 38 38 THR N N 38 106.253 106.253 108.636 -2.383 17843 388 1 2 . 1 1 38 38 THR HA H 38 4.407 4.407 4.370 0.037 17843 389 1 2 . 1 1 38 38 THR C C 38 174.112 174.112 174.539 -0.427 17843 390 1 2 . 1 1 38 38 THR H H 38 7.273 7.273 7.307 -0.034 17843 391 1 2 . 1 1 39 39 VAL N N 39 122.396 122.396 122.281 0.115 17843 392 1 2 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.566 0.406 17843 393 1 2 . 1 1 39 39 VAL C C 39 176.527 176.527 176.344 0.183 17843 394 1 2 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.466 3.085 17843 395 1 2 . 1 1 39 39 VAL H H 39 8.821 8.821 8.556 0.265 17843 396 1 2 . 1 1 40 40 GLU N N 40 117.771 117.771 118.759 -0.988 17843 397 1 2 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.614 0.307 17843 398 1 2 . 1 1 40 40 GLU C C 40 179.574 179.574 178.580 0.994 17843 399 1 2 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.325 0.769 17843 400 1 2 . 1 1 40 40 GLU H H 40 8.596 8.596 8.499 0.097 17843 401 1 2 . 1 1 41 41 GLY N N 41 108.656 108.656 108.344 0.312 17843 402 1 2 . 1 1 41 41 GLY C C 41 176.264 176.264 175.272 0.992 17843 403 1 2 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.699 -1.120 17843 404 1 2 . 1 1 41 41 GLY H H 41 7.945 7.945 7.763 0.182 17843 405 1 2 . 1 1 42 42 VAL N N 42 121.716 121.716 121.238 0.478 17843 406 1 2 . 1 1 42 42 VAL C C 42 177.273 177.273 177.797 -0.524 17843 407 1 2 . 1 1 42 42 VAL CA C 42 66.732 66.732 65.732 1.000 17843 408 1 2 . 1 1 42 42 VAL H H 42 7.809 7.809 7.113 0.696 17843 409 1 2 . 1 1 43 43 TRP N N 43 118.909 118.909 119.568 -0.659 17843 410 1 2 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.418 -0.471 17843 411 1 2 . 1 1 43 43 TRP C C 43 178.781 178.781 179.056 -0.275 17843 412 1 2 . 1 1 43 43 TRP CA C 43 59.604 59.604 59.542 0.062 17843 413 1 2 . 1 1 43 43 TRP H H 43 7.498 7.498 8.073 -0.575 17843 414 1 2 . 1 1 44 44 THR N N 44 116.154 116.154 115.580 0.574 17843 415 1 2 . 1 1 44 44 THR HA H 44 3.985 3.985 4.146 -0.161 17843 416 1 2 . 1 1 44 44 THR C C 44 177.639 177.639 177.111 0.528 17843 417 1 2 . 1 1 44 44 THR CA C 44 66.629 66.629 66.409 0.220 17843 418 1 2 . 1 1 44 44 THR H H 44 8.157 8.157 7.846 0.311 17843 419 1 2 . 1 1 45 45 TYR N N 45 121.630 121.630 121.212 0.418 17843 420 1 2 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.277 -0.049 17843 421 1 2 . 1 1 45 45 TYR H H 45 8.066 8.066 8.052 0.014 17843 422 1 2 . 1 1 46 46 LYS N N 46 119.502 119.502 120.331 -0.829 17843 423 1 2 . 1 1 46 46 LYS CA C 46 59.619 59.619 59.706 -0.087 17843 424 1 2 . 1 1 46 46 LYS H H 46 8.422 8.422 7.721 0.701 17843 425 1 2 . 1 1 47 47 ASP N N 47 117.441 117.441 118.317 -0.876 17843 426 1 2 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.370 -0.359 17843 427 1 2 . 1 1 47 47 ASP C C 47 174.917 174.917 178.340 -3.423 17843 428 1 2 . 1 1 47 47 ASP H H 47 7.446 7.446 8.029 -0.583 17843 429 1 2 . 1 1 48 48 GLU N N 48 121.387 121.387 118.667 2.720 17843 430 1 2 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.922 0.037 17843 431 1 2 . 1 1 48 48 GLU CA C 48 59.897 59.897 59.027 0.870 17843 432 1 2 . 1 1 48 48 GLU H H 48 7.718 7.718 7.459 0.259 17843 433 1 2 . 1 1 50 50 LYS C C 50 176.922 176.922 178.651 -1.729 17843 434 1 2 . 1 1 51 51 THR N N 51 110.556 110.556 115.941 -5.385 17843 435 1 2 . 1 1 51 51 THR HA H 51 4.164 4.164 4.066 0.098 17843 436 1 2 . 1 1 51 51 THR C C 51 175.429 175.429 176.864 -1.435 17843 437 1 2 . 1 1 51 51 THR H H 51 7.510 7.510 7.491 0.019 17843 438 1 2 . 1 1 52 52 PHE N N 52 121.424 121.424 120.406 1.018 17843 439 1 2 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.578 -0.836 17843 440 1 2 . 1 1 52 52 PHE C C 52 177.914 177.914 178.563 -0.649 17843 441 1 2 . 1 1 52 52 PHE H H 52 7.574 7.574 7.474 0.100 17843 442 1 2 . 1 1 53 53 THR N N 53 114.075 114.075 114.970 -0.895 17843 443 1 2 . 1 1 53 53 THR C C 53 177.639 177.639 176.320 1.319 17843 444 1 2 . 1 1 53 53 THR H H 53 7.897 7.897 8.134 -0.237 17843 445 1 2 . 1 1 54 54 VAL N N 54 122.414 122.414 119.861 2.553 17843 446 1 2 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.799 0.442 17843 447 1 2 . 1 1 54 54 VAL C C 54 179.601 179.601 177.483 2.118 17843 448 1 2 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.284 -2.616 17843 449 1 2 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.099 0.717 17843 450 1 2 . 1 1 54 54 VAL H H 54 8.069 8.069 7.744 0.325 17843 451 1 2 . 1 1 55 55 THR N N 55 118.343 118.343 109.820 8.523 17843 452 1 2 . 1 1 55 55 THR HA H 55 4.126 4.126 4.306 -0.180 17843 453 1 2 . 1 1 55 55 THR C C 55 173.658 173.658 175.431 -1.773 17843 454 1 2 . 1 1 55 55 THR CA C 55 61.819 61.819 63.461 -1.642 17843 455 1 2 . 1 1 55 55 THR CB C 55 70.154 70.154 69.368 0.786 17843 456 1 2 . 1 1 55 55 THR H H 55 8.189 8.189 8.022 0.167 17843 457 1 3 . 1 1 2 2 THR N N 2 128.406 128.406 119.230 9.176 17843 458 1 3 . 1 1 2 2 THR HA H 2 4.338 4.338 4.417 -0.079 17843 459 1 3 . 1 1 2 2 THR C C 2 176.278 176.278 175.547 0.731 17843 460 1 3 . 1 1 2 2 THR H H 2 7.964 7.964 8.005 -0.041 17843 461 1 3 . 1 1 3 3 TYR N N 3 124.128 124.128 126.612 -2.484 17843 462 1 3 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.169 0.033 17843 463 1 3 . 1 1 3 3 TYR C C 3 175.400 175.400 175.272 0.128 17843 464 1 3 . 1 1 3 3 TYR CA C 3 58.072 58.072 59.922 -1.850 17843 465 1 3 . 1 1 3 3 TYR CB C 3 38.846 38.846 37.563 1.282 17843 466 1 3 . 1 1 3 3 TYR H H 3 8.369 8.369 8.298 0.071 17843 467 1 3 . 1 1 4 4 LYS N N 4 123.685 123.685 117.761 5.924 17843 468 1 3 . 1 1 4 4 LYS HA H 4 4.113 4.113 3.801 0.312 17843 469 1 3 . 1 1 4 4 LYS C C 4 175.956 175.956 176.843 -0.887 17843 470 1 3 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.407 -1.272 17843 471 1 3 . 1 1 4 4 LYS CB C 4 32.758 32.758 31.849 0.909 17843 472 1 3 . 1 1 4 4 LYS H H 4 8.012 8.012 7.294 0.718 17843 473 1 3 . 1 1 5 5 LEU N N 5 122.275 122.275 117.601 4.674 17843 474 1 3 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.275 -0.099 17843 475 1 3 . 1 1 5 5 LEU C C 5 176.937 176.937 177.090 -0.153 17843 476 1 3 . 1 1 5 5 LEU CA C 5 55.520 55.520 54.986 0.534 17843 477 1 3 . 1 1 5 5 LEU CB C 5 42.008 42.008 43.358 -1.350 17843 478 1 3 . 1 1 5 5 LEU H H 5 7.929 7.929 7.564 0.365 17843 479 1 3 . 1 1 6 6 ILE N N 6 123.581 123.581 119.521 4.060 17843 480 1 3 . 1 1 6 6 ILE HA H 6 4.215 4.215 3.995 0.220 17843 481 1 3 . 1 1 6 6 ILE C C 6 176.732 176.732 175.676 1.056 17843 482 1 3 . 1 1 6 6 ILE CA C 6 60.992 60.992 60.581 0.411 17843 483 1 3 . 1 1 6 6 ILE CB C 6 38.612 38.612 37.375 1.237 17843 484 1 3 . 1 1 6 6 ILE H H 6 8.116 8.116 7.876 0.240 17843 485 1 3 . 1 1 7 7 LEU N N 7 125.222 125.222 128.946 -3.724 17843 486 1 3 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.308 -0.196 17843 487 1 3 . 1 1 7 7 LEU C C 7 177.405 177.405 176.615 0.790 17843 488 1 3 . 1 1 7 7 LEU CA C 7 55.541 55.541 56.141 -0.599 17843 489 1 3 . 1 1 7 7 LEU CB C 7 42.593 42.593 43.178 -0.585 17843 490 1 3 . 1 1 7 7 LEU H H 7 8.034 8.034 8.319 -0.285 17843 491 1 3 . 1 1 8 8 ASN N N 8 118.212 118.212 116.510 1.702 17843 492 1 3 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.917 -0.715 17843 493 1 3 . 1 1 8 8 ASN C C 8 174.463 174.463 176.280 -1.817 17843 494 1 3 . 1 1 8 8 ASN CA C 8 53.073 53.073 52.115 0.958 17843 495 1 3 . 1 1 8 8 ASN CB C 8 38.788 38.788 39.654 -0.866 17843 496 1 3 . 1 1 8 8 ASN H H 8 8.127 8.127 8.466 -0.339 17843 497 1 3 . 1 1 9 9 LEU N N 9 122.727 122.727 125.484 -2.757 17843 498 1 3 . 1 1 9 9 LEU HA H 9 4.227 4.227 4.029 0.198 17843 499 1 3 . 1 1 9 9 LEU C C 9 177.595 177.595 178.239 -0.644 17843 500 1 3 . 1 1 9 9 LEU CA C 9 58.609 58.609 58.472 0.137 17843 501 1 3 . 1 1 9 9 LEU H H 9 8.204 8.204 8.571 -0.367 17843 502 1 3 . 1 1 10 10 LYS N N 10 118.199 118.199 118.763 -0.564 17843 503 1 3 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.951 0.060 17843 504 1 3 . 1 1 10 10 LYS H H 10 7.952 7.952 8.400 -0.448 17843 505 1 3 . 1 1 11 11 GLN N N 11 117.600 117.600 116.482 1.118 17843 506 1 3 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.042 -0.058 17843 507 1 3 . 1 1 11 11 GLN C C 11 179.161 179.161 178.455 0.706 17843 508 1 3 . 1 1 11 11 GLN CA C 11 56.936 56.936 59.124 -2.188 17843 509 1 3 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.411 1.478 17843 510 1 3 . 1 1 11 11 GLN H H 11 7.586 7.586 8.526 -0.940 17843 511 1 3 . 1 1 12 12 ALA N N 12 122.858 122.858 121.886 0.972 17843 512 1 3 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.162 -0.151 17843 513 1 3 . 1 1 12 12 ALA C C 12 179.161 179.161 179.245 -0.084 17843 514 1 3 . 1 1 12 12 ALA CA C 12 56.000 56.000 54.872 1.128 17843 515 1 3 . 1 1 12 12 ALA H H 12 8.285 8.285 7.395 0.890 17843 516 1 3 . 1 1 13 13 LYS N N 13 116.783 116.783 118.584 -1.801 17843 517 1 3 . 1 1 13 13 LYS HA H 13 3.997 3.997 4.035 -0.038 17843 518 1 3 . 1 1 13 13 LYS C C 13 177.669 177.669 178.409 -0.740 17843 519 1 3 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.224 0.278 17843 520 1 3 . 1 1 13 13 LYS H H 13 8.086 8.086 8.409 -0.322 17843 521 1 3 . 1 1 14 14 GLU N N 14 116.603 116.603 120.799 -4.196 17843 522 1 3 . 1 1 14 14 GLU HA H 14 4.023 4.023 3.991 0.032 17843 523 1 3 . 1 1 14 14 GLU C C 14 180.113 180.113 178.959 1.154 17843 524 1 3 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.791 -1.036 17843 525 1 3 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.496 0.335 17843 526 1 3 . 1 1 14 14 GLU H H 14 7.533 7.533 8.268 -0.735 17843 527 1 3 . 1 1 15 15 GLU N N 15 119.346 119.346 118.719 0.627 17843 528 1 3 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.218 -0.182 17843 529 1 3 . 1 1 15 15 GLU C C 15 178.283 178.283 178.771 -0.488 17843 530 1 3 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.029 -0.975 17843 531 1 3 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.424 0.524 17843 532 1 3 . 1 1 15 15 GLU H H 15 8.284 8.284 7.645 0.639 17843 533 1 3 . 1 1 16 16 ALA N N 16 122.070 122.070 123.192 -1.122 17843 534 1 3 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.128 -0.105 17843 535 1 3 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.118 0.110 17843 536 1 3 . 1 1 16 16 ALA H H 16 8.338 8.338 7.643 0.695 17843 537 1 3 . 1 1 18 18 LYS C C 18 178.327 178.327 179.098 -0.771 17843 538 1 3 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.161 -2.581 17843 539 1 3 . 1 1 18 18 LYS CB C 18 32.465 32.465 31.993 0.472 17843 540 1 3 . 1 1 19 19 GLU N N 19 118.876 118.876 119.207 -0.331 17843 541 1 3 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.197 -0.033 17843 542 1 3 . 1 1 19 19 GLU C C 19 178.210 178.210 179.141 -0.931 17843 543 1 3 . 1 1 19 19 GLU CA C 19 57.816 57.816 58.449 -0.633 17843 544 1 3 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.363 0.234 17843 545 1 3 . 1 1 19 19 GLU H H 19 8.187 8.187 7.889 0.298 17843 546 1 3 . 1 1 20 20 LEU N N 20 120.207 120.207 120.977 -0.770 17843 547 1 3 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.872 0.228 17843 548 1 3 . 1 1 20 20 LEU C C 20 178.825 178.825 178.819 0.006 17843 549 1 3 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.049 -0.494 17843 550 1 3 . 1 1 20 20 LEU H H 20 7.957 7.957 8.223 -0.266 17843 551 1 3 . 1 1 21 21 VAL N N 21 122.396 122.396 120.083 2.313 17843 552 1 3 . 1 1 21 21 VAL C C 21 177.830 177.830 178.204 -0.374 17843 553 1 3 . 1 1 21 21 VAL H H 21 8.807 8.807 7.980 0.827 17843 554 1 3 . 1 1 22 22 ASP N N 22 122.142 122.142 120.163 1.979 17843 555 1 3 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.390 -0.200 17843 556 1 3 . 1 1 22 22 ASP H H 22 8.146 8.146 7.949 0.197 17843 557 1 3 . 1 1 23 23 ALA C C 23 177.615 177.615 178.173 -0.558 17843 558 1 3 . 1 1 24 24 GLY N N 24 108.124 108.124 107.134 0.990 17843 559 1 3 . 1 1 24 24 GLY C C 24 174.273 174.273 174.460 -0.187 17843 560 1 3 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.862 0.366 17843 561 1 3 . 1 1 24 24 GLY H H 24 8.015 8.015 7.633 0.382 17843 562 1 3 . 1 1 25 25 ILE N N 25 118.141 118.141 121.371 -3.230 17843 563 1 3 . 1 1 25 25 ILE HA H 25 3.972 3.972 3.964 0.008 17843 564 1 3 . 1 1 25 25 ILE C C 25 175.810 175.810 175.298 0.512 17843 565 1 3 . 1 1 25 25 ILE CA C 25 58.185 58.185 59.898 -1.713 17843 566 1 3 . 1 1 25 25 ILE H H 25 7.776 7.776 8.083 -0.307 17843 567 1 3 . 1 1 26 26 ALA N N 26 127.540 127.540 129.789 -2.249 17843 568 1 3 . 1 1 26 26 ALA HA H 26 4.087 4.087 3.892 0.195 17843 569 1 3 . 1 1 26 26 ALA C C 26 177.683 177.683 179.126 -1.443 17843 570 1 3 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.739 -0.965 17843 571 1 3 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.598 0.226 17843 572 1 3 . 1 1 26 26 ALA H H 26 8.316 8.316 8.040 0.276 17843 573 1 3 . 1 1 27 27 GLU N N 27 120.829 120.829 118.375 2.454 17843 574 1 3 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.093 0.045 17843 575 1 3 . 1 1 27 27 GLU C C 27 176.322 176.322 178.494 -2.172 17843 576 1 3 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.852 -2.736 17843 577 1 3 . 1 1 27 27 GLU H H 27 8.188 8.188 8.716 -0.528 17843 578 1 3 . 1 1 28 28 LYS N N 28 116.307 116.307 117.262 -0.955 17843 579 1 3 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.123 -0.215 17843 580 1 3 . 1 1 28 28 LYS C C 28 177.464 177.464 178.567 -1.103 17843 581 1 3 . 1 1 28 28 LYS H H 28 8.018 8.018 8.129 -0.111 17843 582 1 3 . 1 1 29 29 TYR N N 29 117.013 117.013 121.671 -4.658 17843 583 1 3 . 1 1 29 29 TYR C C 29 177.595 177.595 176.847 0.748 17843 584 1 3 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.779 -2.150 17843 585 1 3 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.256 -0.112 17843 586 1 3 . 1 1 29 29 TYR H H 29 7.291 7.291 7.937 -0.646 17843 587 1 3 . 1 1 30 30 PHE N N 30 118.973 118.973 115.750 3.223 17843 588 1 3 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.410 -0.323 17843 589 1 3 . 1 1 30 30 PHE C C 30 177.083 177.083 176.749 0.334 17843 590 1 3 . 1 1 30 30 PHE CA C 30 57.933 57.933 60.389 -2.455 17843 591 1 3 . 1 1 30 30 PHE CB C 30 45.052 45.052 39.852 5.199 17843 592 1 3 . 1 1 30 30 PHE H H 30 7.957 7.957 7.943 0.014 17843 593 1 3 . 1 1 31 31 LYS N N 31 118.711 118.711 118.109 0.602 17843 594 1 3 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.215 -0.204 17843 595 1 3 . 1 1 31 31 LYS C C 31 177.449 177.449 177.698 -0.249 17843 596 1 3 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.637 0.206 17843 597 1 3 . 1 1 31 31 LYS H H 31 7.863 7.863 8.149 -0.286 17843 598 1 3 . 1 1 32 32 LEU N N 32 117.926 117.926 120.964 -3.038 17843 599 1 3 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.988 -0.170 17843 600 1 3 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.537 -0.425 17843 601 1 3 . 1 1 32 32 LEU H H 32 7.297 7.297 7.494 -0.197 17843 602 1 3 . 1 1 33 33 ILE N N 33 118.783 118.783 119.329 -0.546 17843 603 1 3 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.786 0.199 17843 604 1 3 . 1 1 33 33 ILE CA C 33 61.814 61.814 63.043 -1.229 17843 605 1 3 . 1 1 33 33 ILE H H 33 7.709 7.709 8.017 -0.308 17843 606 1 3 . 1 1 35 35 ASN C C 35 175.400 175.400 174.908 0.492 17843 607 1 3 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.389 -0.103 17843 608 1 3 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.768 0.137 17843 609 1 3 . 1 1 36 36 ALA N N 36 124.207 124.207 122.447 1.760 17843 610 1 3 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.312 0.645 17843 611 1 3 . 1 1 36 36 ALA CA C 36 53.501 53.501 53.237 0.264 17843 612 1 3 . 1 1 36 36 ALA H H 36 7.292 7.292 7.245 0.047 17843 613 1 3 . 1 1 37 37 LYS C C 37 176.761 176.761 176.350 0.411 17843 614 1 3 . 1 1 37 37 LYS CA C 37 56.292 56.292 56.285 0.007 17843 615 1 3 . 1 1 38 38 THR N N 38 106.253 106.253 110.853 -4.600 17843 616 1 3 . 1 1 38 38 THR HA H 38 4.407 4.407 4.460 -0.053 17843 617 1 3 . 1 1 38 38 THR C C 38 174.112 174.112 174.459 -0.347 17843 618 1 3 . 1 1 38 38 THR H H 38 7.273 7.273 7.397 -0.124 17843 619 1 3 . 1 1 39 39 VAL N N 39 122.396 122.396 118.666 3.730 17843 620 1 3 . 1 1 39 39 VAL HA H 39 3.972 3.972 4.052 -0.080 17843 621 1 3 . 1 1 39 39 VAL C C 39 176.527 176.527 176.726 -0.199 17843 622 1 3 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.873 2.678 17843 623 1 3 . 1 1 39 39 VAL H H 39 8.821 8.821 8.770 0.051 17843 624 1 3 . 1 1 40 40 GLU N N 40 117.771 117.771 121.625 -3.854 17843 625 1 3 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.815 0.106 17843 626 1 3 . 1 1 40 40 GLU C C 40 179.574 179.574 178.549 1.025 17843 627 1 3 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.295 0.799 17843 628 1 3 . 1 1 40 40 GLU H H 40 8.596 8.596 8.249 0.347 17843 629 1 3 . 1 1 41 41 GLY N N 41 108.656 108.656 107.861 0.795 17843 630 1 3 . 1 1 41 41 GLY C C 41 176.264 176.264 175.751 0.513 17843 631 1 3 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.585 -1.006 17843 632 1 3 . 1 1 41 41 GLY H H 41 7.945 7.945 8.247 -0.302 17843 633 1 3 . 1 1 42 42 VAL N N 42 121.716 121.716 121.484 0.232 17843 634 1 3 . 1 1 42 42 VAL C C 42 177.273 177.273 177.068 0.205 17843 635 1 3 . 1 1 42 42 VAL CA C 42 66.732 66.732 65.628 1.104 17843 636 1 3 . 1 1 42 42 VAL H H 42 7.809 7.809 7.456 0.353 17843 637 1 3 . 1 1 43 43 TRP N N 43 118.909 118.909 121.989 -3.080 17843 638 1 3 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.340 -0.393 17843 639 1 3 . 1 1 43 43 TRP C C 43 178.781 178.781 178.089 0.692 17843 640 1 3 . 1 1 43 43 TRP CA C 43 59.604 59.604 61.774 -2.170 17843 641 1 3 . 1 1 43 43 TRP H H 43 7.498 7.498 8.336 -0.838 17843 642 1 3 . 1 1 44 44 THR N N 44 116.154 116.154 116.433 -0.279 17843 643 1 3 . 1 1 44 44 THR HA H 44 3.985 3.985 3.798 0.187 17843 644 1 3 . 1 1 44 44 THR C C 44 177.639 177.639 176.580 1.059 17843 645 1 3 . 1 1 44 44 THR CA C 44 66.629 66.629 66.811 -0.183 17843 646 1 3 . 1 1 44 44 THR H H 44 8.157 8.157 7.991 0.166 17843 647 1 3 . 1 1 45 45 TYR N N 45 121.630 121.630 120.183 1.447 17843 648 1 3 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.191 0.037 17843 649 1 3 . 1 1 45 45 TYR H H 45 8.066 8.066 7.944 0.122 17843 650 1 3 . 1 1 46 46 LYS N N 46 119.502 119.502 120.569 -1.067 17843 651 1 3 . 1 1 46 46 LYS CA C 46 59.619 59.619 60.028 -0.409 17843 652 1 3 . 1 1 46 46 LYS H H 46 8.422 8.422 7.900 0.522 17843 653 1 3 . 1 1 47 47 ASP N N 47 117.441 117.441 119.187 -1.746 17843 654 1 3 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.263 -0.252 17843 655 1 3 . 1 1 47 47 ASP C C 47 174.917 174.917 178.893 -3.976 17843 656 1 3 . 1 1 47 47 ASP H H 47 7.446 7.446 7.527 -0.081 17843 657 1 3 . 1 1 48 48 GLU N N 48 121.387 121.387 120.138 1.249 17843 658 1 3 . 1 1 48 48 GLU HA H 48 3.959 3.959 4.146 -0.187 17843 659 1 3 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.972 0.925 17843 660 1 3 . 1 1 48 48 GLU H H 48 7.718 7.718 7.697 0.021 17843 661 1 3 . 1 1 50 50 LYS C C 50 176.922 176.922 179.151 -2.229 17843 662 1 3 . 1 1 51 51 THR N N 51 110.556 110.556 116.992 -6.436 17843 663 1 3 . 1 1 51 51 THR HA H 51 4.164 4.164 3.998 0.166 17843 664 1 3 . 1 1 51 51 THR C C 51 175.429 175.429 176.135 -0.706 17843 665 1 3 . 1 1 51 51 THR H H 51 7.510 7.510 8.007 -0.497 17843 666 1 3 . 1 1 52 52 PHE N N 52 121.424 121.424 122.477 -1.053 17843 667 1 3 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.254 -0.512 17843 668 1 3 . 1 1 52 52 PHE C C 52 177.914 177.914 177.330 0.584 17843 669 1 3 . 1 1 52 52 PHE H H 52 7.574 7.574 8.435 -0.861 17843 670 1 3 . 1 1 53 53 THR N N 53 114.075 114.075 115.305 -1.230 17843 671 1 3 . 1 1 53 53 THR C C 53 177.639 177.639 176.119 1.520 17843 672 1 3 . 1 1 53 53 THR H H 53 7.897 7.897 7.882 0.015 17843 673 1 3 . 1 1 54 54 VAL N N 54 122.414 122.414 120.567 1.847 17843 674 1 3 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.748 0.493 17843 675 1 3 . 1 1 54 54 VAL C C 54 179.601 179.601 177.299 2.302 17843 676 1 3 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.154 -2.486 17843 677 1 3 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.100 0.716 17843 678 1 3 . 1 1 54 54 VAL H H 54 8.069 8.069 7.855 0.214 17843 679 1 3 . 1 1 55 55 THR N N 55 118.343 118.343 108.984 9.359 17843 680 1 3 . 1 1 55 55 THR HA H 55 4.126 4.126 4.236 -0.110 17843 681 1 3 . 1 1 55 55 THR C C 55 173.658 173.658 175.122 -1.464 17843 682 1 3 . 1 1 55 55 THR CA C 55 61.819 61.819 61.750 0.069 17843 683 1 3 . 1 1 55 55 THR CB C 55 70.154 70.154 69.166 0.988 17843 684 1 3 . 1 1 55 55 THR H H 55 8.189 8.189 7.826 0.363 17843 685 1 4 . 1 1 2 2 THR N N 2 128.406 128.406 117.367 11.039 17843 686 1 4 . 1 1 2 2 THR HA H 2 4.338 4.338 4.012 0.326 17843 687 1 4 . 1 1 2 2 THR C C 2 176.278 176.278 174.493 1.785 17843 688 1 4 . 1 1 2 2 THR H H 2 7.964 7.964 7.981 -0.017 17843 689 1 4 . 1 1 3 3 TYR N N 3 124.128 124.128 116.710 7.418 17843 690 1 4 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.559 -0.357 17843 691 1 4 . 1 1 3 3 TYR C C 3 175.400 175.400 177.290 -1.890 17843 692 1 4 . 1 1 3 3 TYR CA C 3 58.072 58.072 58.889 -0.818 17843 693 1 4 . 1 1 3 3 TYR CB C 3 38.846 38.846 38.208 0.638 17843 694 1 4 . 1 1 3 3 TYR H H 3 8.369 8.369 8.189 0.180 17843 695 1 4 . 1 1 4 4 LYS N N 4 123.685 123.685 117.934 5.751 17843 696 1 4 . 1 1 4 4 LYS HA H 4 4.113 4.113 2.727 1.386 17843 697 1 4 . 1 1 4 4 LYS C C 4 175.956 175.956 176.588 -0.632 17843 698 1 4 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.584 -1.449 17843 699 1 4 . 1 1 4 4 LYS CB C 4 32.758 32.758 31.087 1.671 17843 700 1 4 . 1 1 4 4 LYS H H 4 8.012 8.012 7.970 0.042 17843 701 1 4 . 1 1 5 5 LEU N N 5 122.275 122.275 117.345 4.930 17843 702 1 4 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.083 0.093 17843 703 1 4 . 1 1 5 5 LEU C C 5 176.937 176.937 176.727 0.210 17843 704 1 4 . 1 1 5 5 LEU CA C 5 55.520 55.520 54.376 1.144 17843 705 1 4 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.654 -0.646 17843 706 1 4 . 1 1 5 5 LEU H H 5 7.929 7.929 7.352 0.577 17843 707 1 4 . 1 1 6 6 ILE N N 6 123.581 123.581 120.496 3.085 17843 708 1 4 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.186 0.029 17843 709 1 4 . 1 1 6 6 ILE C C 6 176.732 176.732 176.324 0.408 17843 710 1 4 . 1 1 6 6 ILE CA C 6 60.992 60.992 61.387 -0.395 17843 711 1 4 . 1 1 6 6 ILE CB C 6 38.612 38.612 38.134 0.478 17843 712 1 4 . 1 1 6 6 ILE H H 6 8.116 8.116 7.455 0.661 17843 713 1 4 . 1 1 7 7 LEU N N 7 125.222 125.222 127.942 -2.720 17843 714 1 4 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.422 -0.310 17843 715 1 4 . 1 1 7 7 LEU C C 7 177.405 177.405 176.490 0.915 17843 716 1 4 . 1 1 7 7 LEU CA C 7 55.541 55.541 56.019 -0.478 17843 717 1 4 . 1 1 7 7 LEU CB C 7 42.593 42.593 42.380 0.213 17843 718 1 4 . 1 1 7 7 LEU H H 7 8.034 8.034 8.594 -0.560 17843 719 1 4 . 1 1 8 8 ASN N N 8 118.212 118.212 117.593 0.619 17843 720 1 4 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.652 -0.450 17843 721 1 4 . 1 1 8 8 ASN C C 8 174.463 174.463 176.193 -1.730 17843 722 1 4 . 1 1 8 8 ASN CA C 8 53.073 53.073 53.026 0.047 17843 723 1 4 . 1 1 8 8 ASN CB C 8 38.788 38.788 39.137 -0.349 17843 724 1 4 . 1 1 8 8 ASN H H 8 8.127 8.127 7.539 0.588 17843 725 1 4 . 1 1 9 9 LEU N N 9 122.727 122.727 129.097 -6.370 17843 726 1 4 . 1 1 9 9 LEU HA H 9 4.227 4.227 4.010 0.217 17843 727 1 4 . 1 1 9 9 LEU C C 9 177.595 177.595 177.865 -0.270 17843 728 1 4 . 1 1 9 9 LEU CA C 9 58.609 58.609 58.178 0.431 17843 729 1 4 . 1 1 9 9 LEU H H 9 8.204 8.204 8.881 -0.677 17843 730 1 4 . 1 1 10 10 LYS N N 10 118.199 118.199 118.737 -0.538 17843 731 1 4 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.775 0.236 17843 732 1 4 . 1 1 10 10 LYS H H 10 7.952 7.952 7.876 0.076 17843 733 1 4 . 1 1 11 11 GLN N N 11 117.600 117.600 119.155 -1.555 17843 734 1 4 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.024 -0.040 17843 735 1 4 . 1 1 11 11 GLN C C 11 179.161 179.161 178.022 1.139 17843 736 1 4 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.582 -1.646 17843 737 1 4 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.339 1.550 17843 738 1 4 . 1 1 11 11 GLN H H 11 7.586 7.586 8.559 -0.973 17843 739 1 4 . 1 1 12 12 ALA N N 12 122.858 122.858 121.418 1.440 17843 740 1 4 . 1 1 12 12 ALA HA H 12 4.011 4.011 3.835 0.176 17843 741 1 4 . 1 1 12 12 ALA C C 12 179.161 179.161 179.496 -0.335 17843 742 1 4 . 1 1 12 12 ALA CA C 12 56.000 56.000 54.807 1.193 17843 743 1 4 . 1 1 12 12 ALA H H 12 8.285 8.285 7.941 0.344 17843 744 1 4 . 1 1 13 13 LYS N N 13 116.783 116.783 119.722 -2.939 17843 745 1 4 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.879 0.118 17843 746 1 4 . 1 1 13 13 LYS C C 13 177.669 177.669 178.592 -0.923 17843 747 1 4 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.942 -0.440 17843 748 1 4 . 1 1 13 13 LYS H H 13 8.086 8.086 8.362 -0.276 17843 749 1 4 . 1 1 14 14 GLU N N 14 116.603 116.603 118.972 -2.369 17843 750 1 4 . 1 1 14 14 GLU HA H 14 4.023 4.023 3.961 0.062 17843 751 1 4 . 1 1 14 14 GLU C C 14 180.113 180.113 179.253 0.860 17843 752 1 4 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.487 -0.732 17843 753 1 4 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.467 0.364 17843 754 1 4 . 1 1 14 14 GLU H H 14 7.533 7.533 8.035 -0.502 17843 755 1 4 . 1 1 15 15 GLU N N 15 119.346 119.346 119.038 0.308 17843 756 1 4 . 1 1 15 15 GLU HA H 15 4.036 4.036 3.971 0.065 17843 757 1 4 . 1 1 15 15 GLU C C 15 178.283 178.283 178.582 -0.299 17843 758 1 4 . 1 1 15 15 GLU CA C 15 57.054 57.054 59.062 -2.008 17843 759 1 4 . 1 1 15 15 GLU CB C 15 29.948 29.948 28.813 1.135 17843 760 1 4 . 1 1 15 15 GLU H H 15 8.284 8.284 7.901 0.383 17843 761 1 4 . 1 1 16 16 ALA N N 16 122.070 122.070 121.912 0.158 17843 762 1 4 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.215 -0.192 17843 763 1 4 . 1 1 16 16 ALA CA C 16 55.228 55.228 54.974 0.254 17843 764 1 4 . 1 1 16 16 ALA H H 16 8.338 8.338 7.764 0.574 17843 765 1 4 . 1 1 18 18 LYS C C 18 178.327 178.327 179.212 -0.885 17843 766 1 4 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.159 -2.579 17843 767 1 4 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.110 0.355 17843 768 1 4 . 1 1 19 19 GLU N N 19 118.876 118.876 119.537 -0.661 17843 769 1 4 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.244 -0.080 17843 770 1 4 . 1 1 19 19 GLU C C 19 178.210 178.210 179.292 -1.082 17843 771 1 4 . 1 1 19 19 GLU CA C 19 57.816 57.816 58.884 -1.068 17843 772 1 4 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.477 0.120 17843 773 1 4 . 1 1 19 19 GLU H H 19 8.187 8.187 7.864 0.323 17843 774 1 4 . 1 1 20 20 LEU N N 20 120.207 120.207 120.586 -0.379 17843 775 1 4 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.048 0.052 17843 776 1 4 . 1 1 20 20 LEU C C 20 178.825 178.825 178.854 -0.029 17843 777 1 4 . 1 1 20 20 LEU CA C 20 57.555 57.555 57.786 -0.231 17843 778 1 4 . 1 1 20 20 LEU H H 20 7.957 7.957 7.918 0.039 17843 779 1 4 . 1 1 21 21 VAL N N 21 122.396 122.396 120.870 1.526 17843 780 1 4 . 1 1 21 21 VAL C C 21 177.830 177.830 178.205 -0.375 17843 781 1 4 . 1 1 21 21 VAL H H 21 8.807 8.807 7.974 0.833 17843 782 1 4 . 1 1 22 22 ASP N N 22 122.142 122.142 119.892 2.250 17843 783 1 4 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.448 -0.258 17843 784 1 4 . 1 1 22 22 ASP H H 22 8.146 8.146 8.097 0.049 17843 785 1 4 . 1 1 23 23 ALA C C 23 177.615 177.615 178.548 -0.933 17843 786 1 4 . 1 1 24 24 GLY N N 24 108.124 108.124 105.591 2.533 17843 787 1 4 . 1 1 24 24 GLY C C 24 174.273 174.273 174.224 0.049 17843 788 1 4 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.829 0.399 17843 789 1 4 . 1 1 24 24 GLY H H 24 8.015 8.015 7.780 0.235 17843 790 1 4 . 1 1 25 25 ILE N N 25 118.141 118.141 121.659 -3.518 17843 791 1 4 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.214 -0.242 17843 792 1 4 . 1 1 25 25 ILE C C 25 175.810 175.810 175.296 0.514 17843 793 1 4 . 1 1 25 25 ILE CA C 25 58.185 58.185 58.529 -0.343 17843 794 1 4 . 1 1 25 25 ILE H H 25 7.776 7.776 8.174 -0.398 17843 795 1 4 . 1 1 26 26 ALA N N 26 127.540 127.540 130.837 -3.297 17843 796 1 4 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.062 0.025 17843 797 1 4 . 1 1 26 26 ALA C C 26 177.683 177.683 179.225 -1.542 17843 798 1 4 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.192 -0.418 17843 799 1 4 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.658 0.166 17843 800 1 4 . 1 1 26 26 ALA H H 26 8.316 8.316 8.485 -0.169 17843 801 1 4 . 1 1 27 27 GLU N N 27 120.829 120.829 118.598 2.231 17843 802 1 4 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.060 0.078 17843 803 1 4 . 1 1 27 27 GLU C C 27 176.322 176.322 178.117 -1.795 17843 804 1 4 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.896 -2.780 17843 805 1 4 . 1 1 27 27 GLU H H 27 8.188 8.188 8.556 -0.368 17843 806 1 4 . 1 1 28 28 LYS N N 28 116.307 116.307 116.577 -0.270 17843 807 1 4 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.173 -0.265 17843 808 1 4 . 1 1 28 28 LYS C C 28 177.464 177.464 178.663 -1.199 17843 809 1 4 . 1 1 28 28 LYS H H 28 8.018 8.018 8.134 -0.116 17843 810 1 4 . 1 1 29 29 TYR N N 29 117.013 117.013 120.739 -3.726 17843 811 1 4 . 1 1 29 29 TYR C C 29 177.595 177.595 176.220 1.375 17843 812 1 4 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.450 -1.821 17843 813 1 4 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.397 -0.253 17843 814 1 4 . 1 1 29 29 TYR H H 29 7.291 7.291 7.715 -0.424 17843 815 1 4 . 1 1 30 30 PHE N N 30 118.973 118.973 116.307 2.666 17843 816 1 4 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.419 -0.332 17843 817 1 4 . 1 1 30 30 PHE C C 30 177.083 177.083 176.773 0.310 17843 818 1 4 . 1 1 30 30 PHE CA C 30 57.933 57.933 58.878 -0.945 17843 819 1 4 . 1 1 30 30 PHE CB C 30 45.052 45.052 40.802 4.250 17843 820 1 4 . 1 1 30 30 PHE H H 30 7.957 7.957 7.609 0.348 17843 821 1 4 . 1 1 31 31 LYS N N 31 118.711 118.711 120.273 -1.562 17843 822 1 4 . 1 1 31 31 LYS HA H 31 4.011 4.011 3.796 0.215 17843 823 1 4 . 1 1 31 31 LYS C C 31 177.449 177.449 178.586 -1.137 17843 824 1 4 . 1 1 31 31 LYS CA C 31 58.843 58.843 59.962 -1.119 17843 825 1 4 . 1 1 31 31 LYS H H 31 7.863 7.863 8.039 -0.176 17843 826 1 4 . 1 1 32 32 LEU N N 32 117.926 117.926 119.519 -1.593 17843 827 1 4 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.829 -0.011 17843 828 1 4 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.672 -0.560 17843 829 1 4 . 1 1 32 32 LEU H H 32 7.297 7.297 7.409 -0.112 17843 830 1 4 . 1 1 33 33 ILE N N 33 118.783 118.783 117.083 1.700 17843 831 1 4 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.798 0.187 17843 832 1 4 . 1 1 33 33 ILE CA C 33 61.814 61.814 64.560 -2.746 17843 833 1 4 . 1 1 33 33 ILE H H 33 7.709 7.709 7.234 0.475 17843 834 1 4 . 1 1 35 35 ASN C C 35 175.400 175.400 174.868 0.532 17843 835 1 4 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.856 -0.570 17843 836 1 4 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.668 0.237 17843 837 1 4 . 1 1 36 36 ALA N N 36 124.207 124.207 122.677 1.530 17843 838 1 4 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.231 0.726 17843 839 1 4 . 1 1 36 36 ALA CA C 36 53.501 53.501 53.006 0.495 17843 840 1 4 . 1 1 36 36 ALA H H 36 7.292 7.292 7.446 -0.154 17843 841 1 4 . 1 1 37 37 LYS C C 37 176.761 176.761 176.069 0.692 17843 842 1 4 . 1 1 37 37 LYS CA C 37 56.292 56.292 56.386 -0.094 17843 843 1 4 . 1 1 38 38 THR N N 38 106.253 106.253 109.878 -3.625 17843 844 1 4 . 1 1 38 38 THR HA H 38 4.407 4.407 4.355 0.052 17843 845 1 4 . 1 1 38 38 THR C C 38 174.112 174.112 173.957 0.155 17843 846 1 4 . 1 1 38 38 THR H H 38 7.273 7.273 7.322 -0.049 17843 847 1 4 . 1 1 39 39 VAL N N 39 122.396 122.396 120.705 1.691 17843 848 1 4 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.549 0.423 17843 849 1 4 . 1 1 39 39 VAL C C 39 176.527 176.527 176.438 0.089 17843 850 1 4 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.425 3.126 17843 851 1 4 . 1 1 39 39 VAL H H 39 8.821 8.821 8.580 0.241 17843 852 1 4 . 1 1 40 40 GLU N N 40 117.771 117.771 118.821 -1.050 17843 853 1 4 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.400 0.521 17843 854 1 4 . 1 1 40 40 GLU C C 40 179.574 179.574 178.592 0.982 17843 855 1 4 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.284 0.810 17843 856 1 4 . 1 1 40 40 GLU H H 40 8.596 8.596 8.386 0.210 17843 857 1 4 . 1 1 41 41 GLY N N 41 108.656 108.656 107.999 0.657 17843 858 1 4 . 1 1 41 41 GLY C C 41 176.264 176.264 175.335 0.929 17843 859 1 4 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.714 -1.135 17843 860 1 4 . 1 1 41 41 GLY H H 41 7.945 7.945 7.800 0.145 17843 861 1 4 . 1 1 42 42 VAL N N 42 121.716 121.716 121.532 0.184 17843 862 1 4 . 1 1 42 42 VAL C C 42 177.273 177.273 177.669 -0.396 17843 863 1 4 . 1 1 42 42 VAL CA C 42 66.732 66.732 66.018 0.714 17843 864 1 4 . 1 1 42 42 VAL H H 42 7.809 7.809 6.965 0.844 17843 865 1 4 . 1 1 43 43 TRP N N 43 118.909 118.909 119.633 -0.724 17843 866 1 4 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.419 -0.472 17843 867 1 4 . 1 1 43 43 TRP C C 43 178.781 178.781 178.738 0.043 17843 868 1 4 . 1 1 43 43 TRP CA C 43 59.604 59.604 59.694 -0.090 17843 869 1 4 . 1 1 43 43 TRP H H 43 7.498 7.498 8.135 -0.637 17843 870 1 4 . 1 1 44 44 THR N N 44 116.154 116.154 115.923 0.231 17843 871 1 4 . 1 1 44 44 THR HA H 44 3.985 3.985 4.170 -0.185 17843 872 1 4 . 1 1 44 44 THR C C 44 177.639 177.639 176.873 0.766 17843 873 1 4 . 1 1 44 44 THR CA C 44 66.629 66.629 66.931 -0.302 17843 874 1 4 . 1 1 44 44 THR H H 44 8.157 8.157 7.747 0.410 17843 875 1 4 . 1 1 45 45 TYR N N 45 121.630 121.630 120.555 1.075 17843 876 1 4 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.358 -0.130 17843 877 1 4 . 1 1 45 45 TYR H H 45 8.066 8.066 7.903 0.163 17843 878 1 4 . 1 1 46 46 LYS N N 46 119.502 119.502 120.654 -1.152 17843 879 1 4 . 1 1 46 46 LYS CA C 46 59.619 59.619 60.323 -0.704 17843 880 1 4 . 1 1 46 46 LYS H H 46 8.422 8.422 8.307 0.115 17843 881 1 4 . 1 1 47 47 ASP N N 47 117.441 117.441 119.152 -1.711 17843 882 1 4 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.526 -0.515 17843 883 1 4 . 1 1 47 47 ASP C C 47 174.917 174.917 178.947 -4.030 17843 884 1 4 . 1 1 47 47 ASP H H 47 7.446 7.446 7.886 -0.440 17843 885 1 4 . 1 1 48 48 GLU N N 48 121.387 121.387 119.974 1.413 17843 886 1 4 . 1 1 48 48 GLU HA H 48 3.959 3.959 4.137 -0.178 17843 887 1 4 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.634 1.263 17843 888 1 4 . 1 1 48 48 GLU H H 48 7.718 7.718 7.693 0.025 17843 889 1 4 . 1 1 50 50 LYS C C 50 176.922 176.922 178.698 -1.776 17843 890 1 4 . 1 1 51 51 THR N N 51 110.556 110.556 115.739 -5.183 17843 891 1 4 . 1 1 51 51 THR HA H 51 4.164 4.164 3.950 0.214 17843 892 1 4 . 1 1 51 51 THR C C 51 175.429 175.429 176.527 -1.098 17843 893 1 4 . 1 1 51 51 THR H H 51 7.510 7.510 7.761 -0.251 17843 894 1 4 . 1 1 52 52 PHE N N 52 121.424 121.424 119.948 1.476 17843 895 1 4 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.529 -0.787 17843 896 1 4 . 1 1 52 52 PHE C C 52 177.914 177.914 177.515 0.399 17843 897 1 4 . 1 1 52 52 PHE H H 52 7.574 7.574 7.434 0.140 17843 898 1 4 . 1 1 53 53 THR N N 53 114.075 114.075 116.385 -2.310 17843 899 1 4 . 1 1 53 53 THR C C 53 177.639 177.639 176.109 1.530 17843 900 1 4 . 1 1 53 53 THR H H 53 7.897 7.897 8.398 -0.501 17843 901 1 4 . 1 1 54 54 VAL N N 54 122.414 122.414 120.474 1.940 17843 902 1 4 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.760 0.481 17843 903 1 4 . 1 1 54 54 VAL C C 54 179.601 179.601 177.389 2.212 17843 904 1 4 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.450 -2.782 17843 905 1 4 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.005 0.811 17843 906 1 4 . 1 1 54 54 VAL H H 54 8.069 8.069 8.167 -0.098 17843 907 1 4 . 1 1 55 55 THR N N 55 118.343 118.343 114.958 3.385 17843 908 1 4 . 1 1 55 55 THR HA H 55 4.126 4.126 4.087 0.039 17843 909 1 4 . 1 1 55 55 THR C C 55 173.658 173.658 175.050 -1.392 17843 910 1 4 . 1 1 55 55 THR CA C 55 61.819 61.819 64.929 -3.110 17843 911 1 4 . 1 1 55 55 THR CB C 55 70.154 70.154 69.088 1.066 17843 912 1 4 . 1 1 55 55 THR H H 55 8.189 8.189 7.727 0.462 17843 913 1 5 . 1 1 2 2 THR N N 2 128.406 128.406 114.930 13.476 17843 914 1 5 . 1 1 2 2 THR HA H 2 4.338 4.338 4.428 -0.090 17843 915 1 5 . 1 1 2 2 THR C C 2 176.278 176.278 173.775 2.503 17843 916 1 5 . 1 1 2 2 THR H H 2 7.964 7.964 8.388 -0.424 17843 917 1 5 . 1 1 3 3 TYR N N 3 124.128 124.128 121.009 3.119 17843 918 1 5 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.642 -0.440 17843 919 1 5 . 1 1 3 3 TYR C C 3 175.400 175.400 175.749 -0.349 17843 920 1 5 . 1 1 3 3 TYR CA C 3 58.072 58.072 56.414 1.658 17843 921 1 5 . 1 1 3 3 TYR CB C 3 38.846 38.846 40.683 -1.837 17843 922 1 5 . 1 1 3 3 TYR H H 3 8.369 8.369 7.416 0.953 17843 923 1 5 . 1 1 4 4 LYS N N 4 123.685 123.685 118.821 4.864 17843 924 1 5 . 1 1 4 4 LYS HA H 4 4.113 4.113 4.142 -0.029 17843 925 1 5 . 1 1 4 4 LYS C C 4 175.956 175.956 176.209 -0.253 17843 926 1 5 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.747 -1.612 17843 927 1 5 . 1 1 4 4 LYS CB C 4 32.758 32.758 32.455 0.303 17843 928 1 5 . 1 1 4 4 LYS H H 4 8.012 8.012 8.367 -0.355 17843 929 1 5 . 1 1 5 5 LEU N N 5 122.275 122.275 120.481 1.794 17843 930 1 5 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.256 -0.080 17843 931 1 5 . 1 1 5 5 LEU C C 5 176.937 176.937 175.499 1.438 17843 932 1 5 . 1 1 5 5 LEU CA C 5 55.520 55.520 53.937 1.583 17843 933 1 5 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.474 -0.466 17843 934 1 5 . 1 1 5 5 LEU H H 5 7.929 7.929 7.242 0.687 17843 935 1 5 . 1 1 6 6 ILE N N 6 123.581 123.581 125.228 -1.647 17843 936 1 5 . 1 1 6 6 ILE HA H 6 4.215 4.215 3.922 0.293 17843 937 1 5 . 1 1 6 6 ILE C C 6 176.732 176.732 176.403 0.329 17843 938 1 5 . 1 1 6 6 ILE CA C 6 60.992 60.992 62.307 -1.315 17843 939 1 5 . 1 1 6 6 ILE CB C 6 38.612 38.612 38.031 0.581 17843 940 1 5 . 1 1 6 6 ILE H H 6 8.116 8.116 8.569 -0.453 17843 941 1 5 . 1 1 7 7 LEU N N 7 125.222 125.222 126.208 -0.986 17843 942 1 5 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.186 -0.074 17843 943 1 5 . 1 1 7 7 LEU C C 7 177.405 177.405 177.182 0.223 17843 944 1 5 . 1 1 7 7 LEU CA C 7 55.541 55.541 55.500 0.041 17843 945 1 5 . 1 1 7 7 LEU CB C 7 42.593 42.593 42.243 0.350 17843 946 1 5 . 1 1 7 7 LEU H H 7 8.034 8.034 8.177 -0.143 17843 947 1 5 . 1 1 8 8 ASN N N 8 118.212 118.212 118.516 -0.304 17843 948 1 5 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.696 -0.494 17843 949 1 5 . 1 1 8 8 ASN C C 8 174.463 174.463 175.919 -1.456 17843 950 1 5 . 1 1 8 8 ASN CA C 8 53.073 53.073 52.432 0.641 17843 951 1 5 . 1 1 8 8 ASN CB C 8 38.788 38.788 39.091 -0.303 17843 952 1 5 . 1 1 8 8 ASN H H 8 8.127 8.127 7.593 0.534 17843 953 1 5 . 1 1 9 9 LEU N N 9 122.727 122.727 129.288 -6.561 17843 954 1 5 . 1 1 9 9 LEU HA H 9 4.227 4.227 3.993 0.234 17843 955 1 5 . 1 1 9 9 LEU C C 9 177.595 177.595 177.842 -0.247 17843 956 1 5 . 1 1 9 9 LEU CA C 9 58.609 58.609 57.721 0.888 17843 957 1 5 . 1 1 9 9 LEU H H 9 8.204 8.204 8.957 -0.753 17843 958 1 5 . 1 1 10 10 LYS N N 10 118.199 118.199 119.610 -1.411 17843 959 1 5 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.920 0.091 17843 960 1 5 . 1 1 10 10 LYS H H 10 7.952 7.952 8.335 -0.383 17843 961 1 5 . 1 1 11 11 GLN N N 11 117.600 117.600 117.450 0.150 17843 962 1 5 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.302 -0.318 17843 963 1 5 . 1 1 11 11 GLN C C 11 179.161 179.161 178.484 0.677 17843 964 1 5 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.976 -2.040 17843 965 1 5 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.576 1.313 17843 966 1 5 . 1 1 11 11 GLN H H 11 7.586 7.586 8.661 -1.075 17843 967 1 5 . 1 1 12 12 ALA N N 12 122.858 122.858 123.319 -0.461 17843 968 1 5 . 1 1 12 12 ALA HA H 12 4.011 4.011 3.965 0.046 17843 969 1 5 . 1 1 12 12 ALA C C 12 179.161 179.161 179.338 -0.177 17843 970 1 5 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.504 0.496 17843 971 1 5 . 1 1 12 12 ALA H H 12 8.285 8.285 8.661 -0.376 17843 972 1 5 . 1 1 13 13 LYS N N 13 116.783 116.783 118.875 -2.092 17843 973 1 5 . 1 1 13 13 LYS HA H 13 3.997 3.997 4.026 -0.029 17843 974 1 5 . 1 1 13 13 LYS C C 13 177.669 177.669 179.083 -1.414 17843 975 1 5 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.904 -0.402 17843 976 1 5 . 1 1 13 13 LYS H H 13 8.086 8.086 8.263 -0.177 17843 977 1 5 . 1 1 14 14 GLU N N 14 116.603 116.603 119.585 -2.982 17843 978 1 5 . 1 1 14 14 GLU HA H 14 4.023 4.023 3.956 0.067 17843 979 1 5 . 1 1 14 14 GLU C C 14 180.113 180.113 179.049 1.064 17843 980 1 5 . 1 1 14 14 GLU CA C 14 58.755 58.755 60.026 -1.271 17843 981 1 5 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.526 0.305 17843 982 1 5 . 1 1 14 14 GLU H H 14 7.533 7.533 8.108 -0.575 17843 983 1 5 . 1 1 15 15 GLU N N 15 119.346 119.346 118.466 0.880 17843 984 1 5 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.200 -0.164 17843 985 1 5 . 1 1 15 15 GLU C C 15 178.283 178.283 178.919 -0.636 17843 986 1 5 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.600 -1.546 17843 987 1 5 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.290 0.658 17843 988 1 5 . 1 1 15 15 GLU H H 15 8.284 8.284 8.180 0.104 17843 989 1 5 . 1 1 16 16 ALA N N 16 122.070 122.070 123.194 -1.124 17843 990 1 5 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.195 -0.172 17843 991 1 5 . 1 1 16 16 ALA CA C 16 55.228 55.228 54.877 0.351 17843 992 1 5 . 1 1 16 16 ALA H H 16 8.338 8.338 7.951 0.387 17843 993 1 5 . 1 1 18 18 LYS C C 18 178.327 178.327 179.188 -0.861 17843 994 1 5 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.210 -2.630 17843 995 1 5 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.050 0.415 17843 996 1 5 . 1 1 19 19 GLU N N 19 118.876 118.876 119.687 -0.811 17843 997 1 5 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.089 0.075 17843 998 1 5 . 1 1 19 19 GLU C C 19 178.210 178.210 179.174 -0.964 17843 999 1 5 . 1 1 19 19 GLU CA C 19 57.816 57.816 59.253 -1.437 17843 1000 1 5 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.667 -0.070 17843 1001 1 5 . 1 1 19 19 GLU H H 19 8.187 8.187 7.807 0.380 17843 1002 1 5 . 1 1 20 20 LEU N N 20 120.207 120.207 120.921 -0.714 17843 1003 1 5 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.850 0.250 17843 1004 1 5 . 1 1 20 20 LEU C C 20 178.825 178.825 178.817 0.008 17843 1005 1 5 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.218 -0.663 17843 1006 1 5 . 1 1 20 20 LEU H H 20 7.957 7.957 8.301 -0.344 17843 1007 1 5 . 1 1 21 21 VAL N N 21 122.396 122.396 119.906 2.490 17843 1008 1 5 . 1 1 21 21 VAL C C 21 177.830 177.830 177.947 -0.117 17843 1009 1 5 . 1 1 21 21 VAL H H 21 8.807 8.807 8.406 0.401 17843 1010 1 5 . 1 1 22 22 ASP N N 22 122.142 122.142 119.644 2.498 17843 1011 1 5 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.379 -0.189 17843 1012 1 5 . 1 1 22 22 ASP H H 22 8.146 8.146 7.886 0.260 17843 1013 1 5 . 1 1 23 23 ALA C C 23 177.615 177.615 177.836 -0.221 17843 1014 1 5 . 1 1 24 24 GLY N N 24 108.124 108.124 105.525 2.599 17843 1015 1 5 . 1 1 24 24 GLY C C 24 174.273 174.273 174.616 -0.343 17843 1016 1 5 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.850 0.378 17843 1017 1 5 . 1 1 24 24 GLY H H 24 8.015 8.015 7.505 0.510 17843 1018 1 5 . 1 1 25 25 ILE N N 25 118.141 118.141 122.344 -4.203 17843 1019 1 5 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.109 -0.137 17843 1020 1 5 . 1 1 25 25 ILE C C 25 175.810 175.810 175.218 0.592 17843 1021 1 5 . 1 1 25 25 ILE CA C 25 58.185 58.185 60.165 -1.980 17843 1022 1 5 . 1 1 25 25 ILE H H 25 7.776 7.776 8.266 -0.490 17843 1023 1 5 . 1 1 26 26 ALA N N 26 127.540 127.540 129.766 -2.226 17843 1024 1 5 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.337 -0.250 17843 1025 1 5 . 1 1 26 26 ALA C C 26 177.683 177.683 178.876 -1.193 17843 1026 1 5 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.411 -0.637 17843 1027 1 5 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.745 0.079 17843 1028 1 5 . 1 1 26 26 ALA H H 26 8.316 8.316 8.176 0.140 17843 1029 1 5 . 1 1 27 27 GLU N N 27 120.829 120.829 118.147 2.682 17843 1030 1 5 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.013 0.125 17843 1031 1 5 . 1 1 27 27 GLU C C 27 176.322 176.322 178.408 -2.086 17843 1032 1 5 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.371 -2.255 17843 1033 1 5 . 1 1 27 27 GLU H H 27 8.188 8.188 8.631 -0.443 17843 1034 1 5 . 1 1 28 28 LYS N N 28 116.307 116.307 118.034 -1.727 17843 1035 1 5 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.056 -0.148 17843 1036 1 5 . 1 1 28 28 LYS C C 28 177.464 177.464 179.137 -1.673 17843 1037 1 5 . 1 1 28 28 LYS H H 28 8.018 8.018 7.692 0.326 17843 1038 1 5 . 1 1 29 29 TYR N N 29 117.013 117.013 117.456 -0.443 17843 1039 1 5 . 1 1 29 29 TYR C C 29 177.595 177.595 175.435 2.160 17843 1040 1 5 . 1 1 29 29 TYR CA C 29 59.629 59.629 59.945 -0.316 17843 1041 1 5 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.109 0.035 17843 1042 1 5 . 1 1 29 29 TYR H H 29 7.291 7.291 7.616 -0.325 17843 1043 1 5 . 1 1 30 30 PHE N N 30 118.973 118.973 117.993 0.980 17843 1044 1 5 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.235 -0.148 17843 1045 1 5 . 1 1 30 30 PHE C C 30 177.083 177.083 175.966 1.117 17843 1046 1 5 . 1 1 30 30 PHE CA C 30 57.933 57.933 58.392 -0.459 17843 1047 1 5 . 1 1 30 30 PHE CB C 30 45.052 45.052 40.744 4.308 17843 1048 1 5 . 1 1 30 30 PHE H H 30 7.957 7.957 7.033 0.924 17843 1049 1 5 . 1 1 31 31 LYS N N 31 118.711 118.711 118.064 0.647 17843 1050 1 5 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.070 -0.059 17843 1051 1 5 . 1 1 31 31 LYS C C 31 177.449 177.449 177.784 -0.335 17843 1052 1 5 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.189 0.654 17843 1053 1 5 . 1 1 31 31 LYS H H 31 7.863 7.863 7.643 0.220 17843 1054 1 5 . 1 1 32 32 LEU N N 32 117.926 117.926 120.882 -2.956 17843 1055 1 5 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.999 -0.181 17843 1056 1 5 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.704 -0.592 17843 1057 1 5 . 1 1 32 32 LEU H H 32 7.297 7.297 7.564 -0.267 17843 1058 1 5 . 1 1 33 33 ILE N N 33 118.783 118.783 119.410 -0.627 17843 1059 1 5 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.903 0.082 17843 1060 1 5 . 1 1 33 33 ILE CA C 33 61.814 61.814 63.306 -1.492 17843 1061 1 5 . 1 1 33 33 ILE H H 33 7.709 7.709 8.344 -0.635 17843 1062 1 5 . 1 1 35 35 ASN C C 35 175.400 175.400 174.570 0.830 17843 1063 1 5 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.057 0.229 17843 1064 1 5 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.949 -0.044 17843 1065 1 5 . 1 1 36 36 ALA N N 36 124.207 124.207 122.909 1.298 17843 1066 1 5 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.308 0.649 17843 1067 1 5 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.814 0.687 17843 1068 1 5 . 1 1 36 36 ALA H H 36 7.292 7.292 7.218 0.074 17843 1069 1 5 . 1 1 37 37 LYS C C 37 176.761 176.761 176.058 0.703 17843 1070 1 5 . 1 1 37 37 LYS CA C 37 56.292 56.292 56.840 -0.548 17843 1071 1 5 . 1 1 38 38 THR N N 38 106.253 106.253 111.923 -5.670 17843 1072 1 5 . 1 1 38 38 THR HA H 38 4.407 4.407 4.442 -0.035 17843 1073 1 5 . 1 1 38 38 THR C C 38 174.112 174.112 173.926 0.186 17843 1074 1 5 . 1 1 38 38 THR H H 38 7.273 7.273 7.368 -0.095 17843 1075 1 5 . 1 1 39 39 VAL N N 39 122.396 122.396 120.146 2.250 17843 1076 1 5 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.910 0.062 17843 1077 1 5 . 1 1 39 39 VAL C C 39 176.527 176.527 176.676 -0.149 17843 1078 1 5 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.646 2.905 17843 1079 1 5 . 1 1 39 39 VAL H H 39 8.821 8.821 8.712 0.109 17843 1080 1 5 . 1 1 40 40 GLU N N 40 117.771 117.771 121.328 -3.557 17843 1081 1 5 . 1 1 40 40 GLU HA H 40 3.921 3.921 4.025 -0.104 17843 1082 1 5 . 1 1 40 40 GLU C C 40 179.574 179.574 178.988 0.586 17843 1083 1 5 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.296 0.798 17843 1084 1 5 . 1 1 40 40 GLU H H 40 8.596 8.596 7.728 0.868 17843 1085 1 5 . 1 1 41 41 GLY N N 41 108.656 108.656 107.751 0.905 17843 1086 1 5 . 1 1 41 41 GLY C C 41 176.264 176.264 175.356 0.908 17843 1087 1 5 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.442 -0.863 17843 1088 1 5 . 1 1 41 41 GLY H H 41 7.945 7.945 7.568 0.377 17843 1089 1 5 . 1 1 42 42 VAL N N 42 121.716 121.716 121.652 0.064 17843 1090 1 5 . 1 1 42 42 VAL C C 42 177.273 177.273 177.134 0.139 17843 1091 1 5 . 1 1 42 42 VAL CA C 42 66.732 66.732 66.002 0.730 17843 1092 1 5 . 1 1 42 42 VAL H H 42 7.809 7.809 7.175 0.634 17843 1093 1 5 . 1 1 43 43 TRP N N 43 118.909 118.909 121.161 -2.252 17843 1094 1 5 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.295 -0.348 17843 1095 1 5 . 1 1 43 43 TRP C C 43 178.781 178.781 177.769 1.012 17843 1096 1 5 . 1 1 43 43 TRP CA C 43 59.604 59.604 60.681 -1.077 17843 1097 1 5 . 1 1 43 43 TRP H H 43 7.498 7.498 8.301 -0.803 17843 1098 1 5 . 1 1 44 44 THR N N 44 116.154 116.154 115.879 0.275 17843 1099 1 5 . 1 1 44 44 THR HA H 44 3.985 3.985 3.976 0.009 17843 1100 1 5 . 1 1 44 44 THR C C 44 177.639 177.639 176.719 0.920 17843 1101 1 5 . 1 1 44 44 THR CA C 44 66.629 66.629 66.904 -0.275 17843 1102 1 5 . 1 1 44 44 THR H H 44 8.157 8.157 7.750 0.407 17843 1103 1 5 . 1 1 45 45 TYR N N 45 121.630 121.630 119.747 1.883 17843 1104 1 5 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.342 -0.114 17843 1105 1 5 . 1 1 45 45 TYR H H 45 8.066 8.066 8.071 -0.005 17843 1106 1 5 . 1 1 46 46 LYS N N 46 119.502 119.502 121.140 -1.638 17843 1107 1 5 . 1 1 46 46 LYS CA C 46 59.619 59.619 59.682 -0.063 17843 1108 1 5 . 1 1 46 46 LYS H H 46 8.422 8.422 7.710 0.712 17843 1109 1 5 . 1 1 47 47 ASP N N 47 117.441 117.441 119.608 -2.167 17843 1110 1 5 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.315 -0.304 17843 1111 1 5 . 1 1 47 47 ASP C C 47 174.917 174.917 178.805 -3.888 17843 1112 1 5 . 1 1 47 47 ASP H H 47 7.446 7.446 7.744 -0.298 17843 1113 1 5 . 1 1 48 48 GLU N N 48 121.387 121.387 120.173 1.214 17843 1114 1 5 . 1 1 48 48 GLU HA H 48 3.959 3.959 4.163 -0.204 17843 1115 1 5 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.837 1.060 17843 1116 1 5 . 1 1 48 48 GLU H H 48 7.718 7.718 7.917 -0.199 17843 1117 1 5 . 1 1 50 50 LYS C C 50 176.922 176.922 179.181 -2.259 17843 1118 1 5 . 1 1 51 51 THR N N 51 110.556 110.556 112.110 -1.554 17843 1119 1 5 . 1 1 51 51 THR HA H 51 4.164 4.164 4.278 -0.114 17843 1120 1 5 . 1 1 51 51 THR C C 51 175.429 175.429 175.976 -0.547 17843 1121 1 5 . 1 1 51 51 THR H H 51 7.510 7.510 7.833 -0.323 17843 1122 1 5 . 1 1 52 52 PHE N N 52 121.424 121.424 124.300 -2.876 17843 1123 1 5 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.446 -0.704 17843 1124 1 5 . 1 1 52 52 PHE C C 52 177.914 177.914 176.882 1.032 17843 1125 1 5 . 1 1 52 52 PHE H H 52 7.574 7.574 8.130 -0.556 17843 1126 1 5 . 1 1 53 53 THR N N 53 114.075 114.075 111.149 2.926 17843 1127 1 5 . 1 1 53 53 THR C C 53 177.639 177.639 175.901 1.738 17843 1128 1 5 . 1 1 53 53 THR H H 53 7.897 7.897 8.053 -0.156 17843 1129 1 5 . 1 1 54 54 VAL N N 54 122.414 122.414 121.475 0.939 17843 1130 1 5 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.875 0.366 17843 1131 1 5 . 1 1 54 54 VAL C C 54 179.601 179.601 177.296 2.305 17843 1132 1 5 . 1 1 54 54 VAL CA C 54 62.668 62.668 64.910 -2.242 17843 1133 1 5 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.093 0.724 17843 1134 1 5 . 1 1 54 54 VAL H H 54 8.069 8.069 7.714 0.355 17843 1135 1 5 . 1 1 55 55 THR N N 55 118.343 118.343 108.915 9.428 17843 1136 1 5 . 1 1 55 55 THR HA H 55 4.126 4.126 4.260 -0.134 17843 1137 1 5 . 1 1 55 55 THR C C 55 173.658 173.658 174.857 -1.199 17843 1138 1 5 . 1 1 55 55 THR CA C 55 61.819 61.819 61.848 -0.029 17843 1139 1 5 . 1 1 55 55 THR CB C 55 70.154 70.154 69.122 1.032 17843 1140 1 5 . 1 1 55 55 THR H H 55 8.189 8.189 7.547 0.642 17843 1141 1 6 . 1 1 2 2 THR N N 2 128.406 128.406 111.387 17.019 17843 1142 1 6 . 1 1 2 2 THR HA H 2 4.338 4.338 4.248 0.090 17843 1143 1 6 . 1 1 2 2 THR C C 2 176.278 176.278 175.775 0.503 17843 1144 1 6 . 1 1 2 2 THR H H 2 7.964 7.964 8.478 -0.514 17843 1145 1 6 . 1 1 3 3 TYR N N 3 124.128 124.128 123.421 0.707 17843 1146 1 6 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.027 0.175 17843 1147 1 6 . 1 1 3 3 TYR C C 3 175.400 175.400 176.318 -0.918 17843 1148 1 6 . 1 1 3 3 TYR CA C 3 58.072 58.072 61.907 -3.835 17843 1149 1 6 . 1 1 3 3 TYR CB C 3 38.846 38.846 38.539 0.307 17843 1150 1 6 . 1 1 3 3 TYR H H 3 8.369 8.369 7.725 0.644 17843 1151 1 6 . 1 1 4 4 LYS N N 4 123.685 123.685 115.194 8.491 17843 1152 1 6 . 1 1 4 4 LYS HA H 4 4.113 4.113 3.942 0.171 17843 1153 1 6 . 1 1 4 4 LYS C C 4 175.956 175.956 177.722 -1.766 17843 1154 1 6 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.936 -1.801 17843 1155 1 6 . 1 1 4 4 LYS CB C 4 32.758 32.758 32.499 0.259 17843 1156 1 6 . 1 1 4 4 LYS H H 4 8.012 8.012 8.152 -0.140 17843 1157 1 6 . 1 1 5 5 LEU N N 5 122.275 122.275 118.136 4.139 17843 1158 1 6 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.116 0.060 17843 1159 1 6 . 1 1 5 5 LEU C C 5 176.937 176.937 177.564 -0.627 17843 1160 1 6 . 1 1 5 5 LEU CA C 5 55.520 55.520 56.285 -0.765 17843 1161 1 6 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.837 -0.829 17843 1162 1 6 . 1 1 5 5 LEU H H 5 7.929 7.929 7.291 0.638 17843 1163 1 6 . 1 1 6 6 ILE N N 6 123.581 123.581 118.080 5.501 17843 1164 1 6 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.188 0.027 17843 1165 1 6 . 1 1 6 6 ILE C C 6 176.732 176.732 175.643 1.089 17843 1166 1 6 . 1 1 6 6 ILE CA C 6 60.992 60.992 60.281 0.711 17843 1167 1 6 . 1 1 6 6 ILE CB C 6 38.612 38.612 39.118 -0.506 17843 1168 1 6 . 1 1 6 6 ILE H H 6 8.116 8.116 7.919 0.197 17843 1169 1 6 . 1 1 7 7 LEU N N 7 125.222 125.222 128.425 -3.203 17843 1170 1 6 . 1 1 7 7 LEU HA H 7 4.112 4.112 3.911 0.201 17843 1171 1 6 . 1 1 7 7 LEU C C 7 177.405 177.405 178.327 -0.922 17843 1172 1 6 . 1 1 7 7 LEU CA C 7 55.541 55.541 57.940 -2.398 17843 1173 1 6 . 1 1 7 7 LEU CB C 7 42.593 42.593 41.684 0.909 17843 1174 1 6 . 1 1 7 7 LEU H H 7 8.034 8.034 8.737 -0.703 17843 1175 1 6 . 1 1 8 8 ASN N N 8 118.212 118.212 117.160 1.052 17843 1176 1 6 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.478 -0.276 17843 1177 1 6 . 1 1 8 8 ASN C C 8 174.463 174.463 177.666 -3.203 17843 1178 1 6 . 1 1 8 8 ASN CA C 8 53.073 53.073 55.972 -2.899 17843 1179 1 6 . 1 1 8 8 ASN CB C 8 38.788 38.788 37.593 1.195 17843 1180 1 6 . 1 1 8 8 ASN H H 8 8.127 8.127 8.595 -0.468 17843 1181 1 6 . 1 1 9 9 LEU N N 9 122.727 122.727 120.632 2.095 17843 1182 1 6 . 1 1 9 9 LEU HA H 9 4.227 4.227 4.066 0.161 17843 1183 1 6 . 1 1 9 9 LEU C C 9 177.595 177.595 178.286 -0.691 17843 1184 1 6 . 1 1 9 9 LEU CA C 9 58.609 58.609 57.372 1.237 17843 1185 1 6 . 1 1 9 9 LEU H H 9 8.204 8.204 7.607 0.597 17843 1186 1 6 . 1 1 10 10 LYS N N 10 118.199 118.199 119.833 -1.634 17843 1187 1 6 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.875 0.136 17843 1188 1 6 . 1 1 10 10 LYS H H 10 7.952 7.952 7.316 0.636 17843 1189 1 6 . 1 1 11 11 GLN N N 11 117.600 117.600 118.657 -1.057 17843 1190 1 6 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.109 -0.125 17843 1191 1 6 . 1 1 11 11 GLN C C 11 179.161 179.161 178.417 0.744 17843 1192 1 6 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.686 -1.750 17843 1193 1 6 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.736 1.153 17843 1194 1 6 . 1 1 11 11 GLN H H 11 7.586 7.586 7.789 -0.203 17843 1195 1 6 . 1 1 12 12 ALA N N 12 122.858 122.858 122.885 -0.027 17843 1196 1 6 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.193 -0.182 17843 1197 1 6 . 1 1 12 12 ALA C C 12 179.161 179.161 179.101 0.060 17843 1198 1 6 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.041 0.959 17843 1199 1 6 . 1 1 12 12 ALA H H 12 8.285 8.285 8.193 0.092 17843 1200 1 6 . 1 1 13 13 LYS N N 13 116.783 116.783 118.981 -2.198 17843 1201 1 6 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.938 0.059 17843 1202 1 6 . 1 1 13 13 LYS C C 13 177.669 177.669 178.748 -1.079 17843 1203 1 6 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.911 -0.409 17843 1204 1 6 . 1 1 13 13 LYS H H 13 8.086 8.086 8.010 0.076 17843 1205 1 6 . 1 1 14 14 GLU N N 14 116.603 116.603 118.795 -2.192 17843 1206 1 6 . 1 1 14 14 GLU HA H 14 4.023 4.023 3.987 0.036 17843 1207 1 6 . 1 1 14 14 GLU C C 14 180.113 180.113 179.154 0.959 17843 1208 1 6 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.588 -0.833 17843 1209 1 6 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.443 0.388 17843 1210 1 6 . 1 1 14 14 GLU H H 14 7.533 7.533 7.879 -0.346 17843 1211 1 6 . 1 1 15 15 GLU N N 15 119.346 119.346 119.792 -0.446 17843 1212 1 6 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.022 0.014 17843 1213 1 6 . 1 1 15 15 GLU C C 15 178.283 178.283 178.963 -0.680 17843 1214 1 6 . 1 1 15 15 GLU CA C 15 57.054 57.054 59.447 -2.393 17843 1215 1 6 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.583 0.365 17843 1216 1 6 . 1 1 15 15 GLU H H 15 8.284 8.284 8.053 0.231 17843 1217 1 6 . 1 1 16 16 ALA N N 16 122.070 122.070 122.069 0.001 17843 1218 1 6 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.187 -0.164 17843 1219 1 6 . 1 1 16 16 ALA CA C 16 55.228 55.228 54.908 0.320 17843 1220 1 6 . 1 1 16 16 ALA H H 16 8.338 8.338 7.742 0.596 17843 1221 1 6 . 1 1 18 18 LYS C C 18 178.327 178.327 179.206 -0.879 17843 1222 1 6 . 1 1 18 18 LYS CA C 18 57.580 57.580 59.949 -2.369 17843 1223 1 6 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.118 0.347 17843 1224 1 6 . 1 1 19 19 GLU N N 19 118.876 118.876 119.947 -1.071 17843 1225 1 6 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.235 -0.071 17843 1226 1 6 . 1 1 19 19 GLU C C 19 178.210 178.210 179.224 -1.014 17843 1227 1 6 . 1 1 19 19 GLU CA C 19 57.816 57.816 58.588 -0.772 17843 1228 1 6 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.428 0.169 17843 1229 1 6 . 1 1 19 19 GLU H H 19 8.187 8.187 7.953 0.234 17843 1230 1 6 . 1 1 20 20 LEU N N 20 120.207 120.207 121.067 -0.860 17843 1231 1 6 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.084 0.016 17843 1232 1 6 . 1 1 20 20 LEU C C 20 178.825 178.825 178.837 -0.012 17843 1233 1 6 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.063 -0.508 17843 1234 1 6 . 1 1 20 20 LEU H H 20 7.957 7.957 8.388 -0.431 17843 1235 1 6 . 1 1 21 21 VAL N N 21 122.396 122.396 120.229 2.167 17843 1236 1 6 . 1 1 21 21 VAL C C 21 177.830 177.830 178.194 -0.364 17843 1237 1 6 . 1 1 21 21 VAL H H 21 8.807 8.807 7.850 0.957 17843 1238 1 6 . 1 1 22 22 ASP N N 22 122.142 122.142 119.651 2.491 17843 1239 1 6 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.452 -0.262 17843 1240 1 6 . 1 1 22 22 ASP H H 22 8.146 8.146 8.092 0.054 17843 1241 1 6 . 1 1 23 23 ALA C C 23 177.615 177.615 178.312 -0.697 17843 1242 1 6 . 1 1 24 24 GLY N N 24 108.124 108.124 106.135 1.989 17843 1243 1 6 . 1 1 24 24 GLY C C 24 174.273 174.273 174.431 -0.158 17843 1244 1 6 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.984 0.244 17843 1245 1 6 . 1 1 24 24 GLY H H 24 8.015 8.015 7.873 0.142 17843 1246 1 6 . 1 1 25 25 ILE N N 25 118.141 118.141 121.687 -3.546 17843 1247 1 6 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.278 -0.306 17843 1248 1 6 . 1 1 25 25 ILE C C 25 175.810 175.810 175.342 0.468 17843 1249 1 6 . 1 1 25 25 ILE CA C 25 58.185 58.185 58.583 -0.398 17843 1250 1 6 . 1 1 25 25 ILE H H 25 7.776 7.776 7.878 -0.102 17843 1251 1 6 . 1 1 26 26 ALA N N 26 127.540 127.540 130.924 -3.384 17843 1252 1 6 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.009 0.078 17843 1253 1 6 . 1 1 26 26 ALA C C 26 177.683 177.683 179.198 -1.515 17843 1254 1 6 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.272 -0.498 17843 1255 1 6 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.757 0.067 17843 1256 1 6 . 1 1 26 26 ALA H H 26 8.316 8.316 8.517 -0.201 17843 1257 1 6 . 1 1 27 27 GLU N N 27 120.829 120.829 118.499 2.330 17843 1258 1 6 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.142 -0.004 17843 1259 1 6 . 1 1 27 27 GLU C C 27 176.322 176.322 178.393 -2.071 17843 1260 1 6 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.906 -2.790 17843 1261 1 6 . 1 1 27 27 GLU H H 27 8.188 8.188 8.534 -0.346 17843 1262 1 6 . 1 1 28 28 LYS N N 28 116.307 116.307 117.141 -0.834 17843 1263 1 6 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.146 -0.238 17843 1264 1 6 . 1 1 28 28 LYS C C 28 177.464 177.464 178.539 -1.075 17843 1265 1 6 . 1 1 28 28 LYS H H 28 8.018 8.018 8.218 -0.200 17843 1266 1 6 . 1 1 29 29 TYR N N 29 117.013 117.013 119.394 -2.381 17843 1267 1 6 . 1 1 29 29 TYR C C 29 177.595 177.595 175.497 2.098 17843 1268 1 6 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.171 -1.542 17843 1269 1 6 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.099 0.045 17843 1270 1 6 . 1 1 29 29 TYR H H 29 7.291 7.291 7.626 -0.335 17843 1271 1 6 . 1 1 30 30 PHE N N 30 118.973 118.973 114.078 4.895 17843 1272 1 6 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.436 -0.349 17843 1273 1 6 . 1 1 30 30 PHE C C 30 177.083 177.083 176.441 0.642 17843 1274 1 6 . 1 1 30 30 PHE CA C 30 57.933 57.933 59.562 -1.629 17843 1275 1 6 . 1 1 30 30 PHE CB C 30 45.052 45.052 40.269 4.783 17843 1276 1 6 . 1 1 30 30 PHE H H 30 7.957 7.957 7.407 0.550 17843 1277 1 6 . 1 1 31 31 LYS N N 31 118.711 118.711 118.355 0.356 17843 1278 1 6 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.209 -0.198 17843 1279 1 6 . 1 1 31 31 LYS C C 31 177.449 177.449 177.647 -0.198 17843 1280 1 6 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.399 0.444 17843 1281 1 6 . 1 1 31 31 LYS H H 31 7.863 7.863 8.058 -0.195 17843 1282 1 6 . 1 1 32 32 LEU N N 32 117.926 117.926 120.935 -3.009 17843 1283 1 6 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.860 -0.042 17843 1284 1 6 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.587 -0.475 17843 1285 1 6 . 1 1 32 32 LEU H H 32 7.297 7.297 7.602 -0.305 17843 1286 1 6 . 1 1 33 33 ILE N N 33 118.783 118.783 119.500 -0.717 17843 1287 1 6 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.729 0.256 17843 1288 1 6 . 1 1 33 33 ILE CA C 33 61.814 61.814 62.031 -0.217 17843 1289 1 6 . 1 1 33 33 ILE H H 33 7.709 7.709 7.609 0.100 17843 1290 1 6 . 1 1 35 35 ASN C C 35 175.400 175.400 174.402 0.998 17843 1291 1 6 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.311 -0.025 17843 1292 1 6 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.547 0.357 17843 1293 1 6 . 1 1 36 36 ALA N N 36 124.207 124.207 123.845 0.362 17843 1294 1 6 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.240 0.717 17843 1295 1 6 . 1 1 36 36 ALA CA C 36 53.501 53.501 53.321 0.180 17843 1296 1 6 . 1 1 36 36 ALA H H 36 7.292 7.292 7.372 -0.080 17843 1297 1 6 . 1 1 37 37 LYS C C 37 176.761 176.761 176.036 0.725 17843 1298 1 6 . 1 1 37 37 LYS CA C 37 56.292 56.292 57.171 -0.879 17843 1299 1 6 . 1 1 38 38 THR N N 38 106.253 106.253 109.512 -3.259 17843 1300 1 6 . 1 1 38 38 THR HA H 38 4.407 4.407 4.539 -0.132 17843 1301 1 6 . 1 1 38 38 THR C C 38 174.112 174.112 175.378 -1.266 17843 1302 1 6 . 1 1 38 38 THR H H 38 7.273 7.273 7.365 -0.092 17843 1303 1 6 . 1 1 39 39 VAL N N 39 122.396 122.396 121.204 1.192 17843 1304 1 6 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.368 0.604 17843 1305 1 6 . 1 1 39 39 VAL C C 39 176.527 176.527 175.961 0.566 17843 1306 1 6 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.847 2.704 17843 1307 1 6 . 1 1 39 39 VAL H H 39 8.821 8.821 8.253 0.568 17843 1308 1 6 . 1 1 40 40 GLU N N 40 117.771 117.771 119.055 -1.284 17843 1309 1 6 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.988 -0.067 17843 1310 1 6 . 1 1 40 40 GLU C C 40 179.574 179.574 178.626 0.948 17843 1311 1 6 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.151 0.943 17843 1312 1 6 . 1 1 40 40 GLU H H 40 8.596 8.596 7.961 0.635 17843 1313 1 6 . 1 1 41 41 GLY N N 41 108.656 108.656 108.459 0.197 17843 1314 1 6 . 1 1 41 41 GLY C C 41 176.264 176.264 175.449 0.815 17843 1315 1 6 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.731 -1.152 17843 1316 1 6 . 1 1 41 41 GLY H H 41 7.945 7.945 7.999 -0.054 17843 1317 1 6 . 1 1 42 42 VAL N N 42 121.716 121.716 121.309 0.407 17843 1318 1 6 . 1 1 42 42 VAL C C 42 177.273 177.273 177.599 -0.326 17843 1319 1 6 . 1 1 42 42 VAL CA C 42 66.732 66.732 65.909 0.823 17843 1320 1 6 . 1 1 42 42 VAL H H 42 7.809 7.809 7.613 0.196 17843 1321 1 6 . 1 1 43 43 TRP N N 43 118.909 118.909 120.159 -1.250 17843 1322 1 6 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.437 -0.490 17843 1323 1 6 . 1 1 43 43 TRP C C 43 178.781 178.781 178.894 -0.113 17843 1324 1 6 . 1 1 43 43 TRP CA C 43 59.604 59.604 59.729 -0.125 17843 1325 1 6 . 1 1 43 43 TRP H H 43 7.498 7.498 8.095 -0.597 17843 1326 1 6 . 1 1 44 44 THR N N 44 116.154 116.154 116.934 -0.780 17843 1327 1 6 . 1 1 44 44 THR HA H 44 3.985 3.985 4.089 -0.104 17843 1328 1 6 . 1 1 44 44 THR C C 44 177.639 177.639 176.904 0.735 17843 1329 1 6 . 1 1 44 44 THR CA C 44 66.629 66.629 66.990 -0.361 17843 1330 1 6 . 1 1 44 44 THR H H 44 8.157 8.157 8.236 -0.079 17843 1331 1 6 . 1 1 45 45 TYR N N 45 121.630 121.630 120.293 1.337 17843 1332 1 6 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.241 -0.013 17843 1333 1 6 . 1 1 45 45 TYR H H 45 8.066 8.066 7.939 0.127 17843 1334 1 6 . 1 1 46 46 LYS N N 46 119.502 119.502 120.057 -0.555 17843 1335 1 6 . 1 1 46 46 LYS CA C 46 59.619 59.619 60.190 -0.571 17843 1336 1 6 . 1 1 46 46 LYS H H 46 8.422 8.422 8.340 0.082 17843 1337 1 6 . 1 1 47 47 ASP N N 47 117.441 117.441 120.076 -2.635 17843 1338 1 6 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.407 -0.396 17843 1339 1 6 . 1 1 47 47 ASP C C 47 174.917 174.917 178.802 -3.885 17843 1340 1 6 . 1 1 47 47 ASP H H 47 7.446 7.446 8.243 -0.797 17843 1341 1 6 . 1 1 48 48 GLU N N 48 121.387 121.387 119.385 2.002 17843 1342 1 6 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.897 0.062 17843 1343 1 6 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.112 1.785 17843 1344 1 6 . 1 1 48 48 GLU H H 48 7.718 7.718 7.746 -0.028 17843 1345 1 6 . 1 1 50 50 LYS C C 50 176.922 176.922 178.726 -1.804 17843 1346 1 6 . 1 1 51 51 THR N N 51 110.556 110.556 115.294 -4.738 17843 1347 1 6 . 1 1 51 51 THR HA H 51 4.164 4.164 4.131 0.033 17843 1348 1 6 . 1 1 51 51 THR C C 51 175.429 175.429 176.441 -1.012 17843 1349 1 6 . 1 1 51 51 THR H H 51 7.510 7.510 7.167 0.343 17843 1350 1 6 . 1 1 52 52 PHE N N 52 121.424 121.424 120.507 0.917 17843 1351 1 6 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.399 -0.657 17843 1352 1 6 . 1 1 52 52 PHE C C 52 177.914 177.914 177.726 0.188 17843 1353 1 6 . 1 1 52 52 PHE H H 52 7.574 7.574 7.997 -0.423 17843 1354 1 6 . 1 1 53 53 THR N N 53 114.075 114.075 109.804 4.271 17843 1355 1 6 . 1 1 53 53 THR C C 53 177.639 177.639 175.856 1.783 17843 1356 1 6 . 1 1 53 53 THR H H 53 7.897 7.897 8.317 -0.420 17843 1357 1 6 . 1 1 54 54 VAL N N 54 122.414 122.414 121.911 0.503 17843 1358 1 6 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.891 0.350 17843 1359 1 6 . 1 1 54 54 VAL C C 54 179.601 179.601 177.685 1.916 17843 1360 1 6 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.114 -2.446 17843 1361 1 6 . 1 1 54 54 VAL CB C 54 32.816 32.816 31.995 0.821 17843 1362 1 6 . 1 1 54 54 VAL H H 54 8.069 8.069 7.598 0.471 17843 1363 1 6 . 1 1 55 55 THR N N 55 118.343 118.343 114.771 3.572 17843 1364 1 6 . 1 1 55 55 THR HA H 55 4.126 4.126 4.204 -0.078 17843 1365 1 6 . 1 1 55 55 THR C C 55 173.658 173.658 174.884 -1.226 17843 1366 1 6 . 1 1 55 55 THR CA C 55 61.819 61.819 65.383 -3.564 17843 1367 1 6 . 1 1 55 55 THR CB C 55 70.154 70.154 69.341 0.813 17843 1368 1 6 . 1 1 55 55 THR H H 55 8.189 8.189 8.020 0.169 17843 1369 1 7 . 1 1 2 2 THR N N 2 128.406 128.406 120.150 8.256 17843 1370 1 7 . 1 1 2 2 THR HA H 2 4.338 4.338 4.037 0.301 17843 1371 1 7 . 1 1 2 2 THR C C 2 176.278 176.278 176.032 0.246 17843 1372 1 7 . 1 1 2 2 THR H H 2 7.964 7.964 8.472 -0.508 17843 1373 1 7 . 1 1 3 3 TYR N N 3 124.128 124.128 116.179 7.949 17843 1374 1 7 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.462 -0.260 17843 1375 1 7 . 1 1 3 3 TYR C C 3 175.400 175.400 176.329 -0.929 17843 1376 1 7 . 1 1 3 3 TYR CA C 3 58.072 58.072 59.289 -1.218 17843 1377 1 7 . 1 1 3 3 TYR CB C 3 38.846 38.846 37.178 1.669 17843 1378 1 7 . 1 1 3 3 TYR H H 3 8.369 8.369 8.300 0.069 17843 1379 1 7 . 1 1 4 4 LYS N N 4 123.685 123.685 118.374 5.311 17843 1380 1 7 . 1 1 4 4 LYS HA H 4 4.113 4.113 3.757 0.356 17843 1381 1 7 . 1 1 4 4 LYS C C 4 175.956 175.956 177.469 -1.513 17843 1382 1 7 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.839 -1.704 17843 1383 1 7 . 1 1 4 4 LYS CB C 4 32.758 32.758 31.942 0.816 17843 1384 1 7 . 1 1 4 4 LYS H H 4 8.012 8.012 6.697 1.315 17843 1385 1 7 . 1 1 5 5 LEU N N 5 122.275 122.275 117.628 4.647 17843 1386 1 7 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.222 -0.046 17843 1387 1 7 . 1 1 5 5 LEU C C 5 176.937 176.937 177.074 -0.137 17843 1388 1 7 . 1 1 5 5 LEU CA C 5 55.520 55.520 55.804 -0.284 17843 1389 1 7 . 1 1 5 5 LEU CB C 5 42.008 42.008 43.137 -1.129 17843 1390 1 7 . 1 1 5 5 LEU H H 5 7.929 7.929 7.412 0.517 17843 1391 1 7 . 1 1 6 6 ILE N N 6 123.581 123.581 119.784 3.797 17843 1392 1 7 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.236 -0.021 17843 1393 1 7 . 1 1 6 6 ILE C C 6 176.732 176.732 175.091 1.641 17843 1394 1 7 . 1 1 6 6 ILE CA C 6 60.992 60.992 60.714 0.278 17843 1395 1 7 . 1 1 6 6 ILE CB C 6 38.612 38.612 38.769 -0.157 17843 1396 1 7 . 1 1 6 6 ILE H H 6 8.116 8.116 8.134 -0.018 17843 1397 1 7 . 1 1 7 7 LEU N N 7 125.222 125.222 125.915 -0.693 17843 1398 1 7 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.360 -0.248 17843 1399 1 7 . 1 1 7 7 LEU C C 7 177.405 177.405 176.736 0.669 17843 1400 1 7 . 1 1 7 7 LEU CA C 7 55.541 55.541 54.850 0.691 17843 1401 1 7 . 1 1 7 7 LEU CB C 7 42.593 42.593 42.601 -0.008 17843 1402 1 7 . 1 1 7 7 LEU H H 7 8.034 8.034 8.453 -0.419 17843 1403 1 7 . 1 1 8 8 ASN N N 8 118.212 118.212 118.634 -0.422 17843 1404 1 7 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.667 -0.465 17843 1405 1 7 . 1 1 8 8 ASN C C 8 174.463 174.463 176.183 -1.720 17843 1406 1 7 . 1 1 8 8 ASN CA C 8 53.073 53.073 52.719 0.354 17843 1407 1 7 . 1 1 8 8 ASN CB C 8 38.788 38.788 38.755 0.033 17843 1408 1 7 . 1 1 8 8 ASN H H 8 8.127 8.127 7.537 0.590 17843 1409 1 7 . 1 1 9 9 LEU N N 9 122.727 122.727 129.517 -6.790 17843 1410 1 7 . 1 1 9 9 LEU HA H 9 4.227 4.227 4.062 0.165 17843 1411 1 7 . 1 1 9 9 LEU C C 9 177.595 177.595 177.960 -0.365 17843 1412 1 7 . 1 1 9 9 LEU CA C 9 58.609 58.609 57.881 0.728 17843 1413 1 7 . 1 1 9 9 LEU H H 9 8.204 8.204 8.916 -0.712 17843 1414 1 7 . 1 1 10 10 LYS N N 10 118.199 118.199 116.853 1.346 17843 1415 1 7 . 1 1 10 10 LYS HA H 10 4.011 4.011 4.023 -0.012 17843 1416 1 7 . 1 1 10 10 LYS H H 10 7.952 7.952 8.391 -0.439 17843 1417 1 7 . 1 1 11 11 GLN N N 11 117.600 117.600 117.132 0.468 17843 1418 1 7 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.333 -0.349 17843 1419 1 7 . 1 1 11 11 GLN C C 11 179.161 179.161 178.200 0.961 17843 1420 1 7 . 1 1 11 11 GLN CA C 11 56.936 56.936 57.819 -0.883 17843 1421 1 7 . 1 1 11 11 GLN CB C 11 29.889 29.889 29.609 0.280 17843 1422 1 7 . 1 1 11 11 GLN H H 11 7.586 7.586 7.632 -0.046 17843 1423 1 7 . 1 1 12 12 ALA N N 12 122.858 122.858 123.993 -1.135 17843 1424 1 7 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.111 -0.100 17843 1425 1 7 . 1 1 12 12 ALA C C 12 179.161 179.161 179.142 0.019 17843 1426 1 7 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.227 0.773 17843 1427 1 7 . 1 1 12 12 ALA H H 12 8.285 8.285 8.564 -0.279 17843 1428 1 7 . 1 1 13 13 LYS N N 13 116.783 116.783 117.391 -0.608 17843 1429 1 7 . 1 1 13 13 LYS HA H 13 3.997 3.997 4.024 -0.027 17843 1430 1 7 . 1 1 13 13 LYS C C 13 177.669 177.669 177.908 -0.239 17843 1431 1 7 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.251 0.251 17843 1432 1 7 . 1 1 13 13 LYS H H 13 8.086 8.086 8.576 -0.490 17843 1433 1 7 . 1 1 14 14 GLU N N 14 116.603 116.603 119.580 -2.977 17843 1434 1 7 . 1 1 14 14 GLU HA H 14 4.023 4.023 4.041 -0.018 17843 1435 1 7 . 1 1 14 14 GLU C C 14 180.113 180.113 178.779 1.334 17843 1436 1 7 . 1 1 14 14 GLU CA C 14 58.755 58.755 58.897 -0.141 17843 1437 1 7 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.222 0.609 17843 1438 1 7 . 1 1 14 14 GLU H H 14 7.533 7.533 7.693 -0.160 17843 1439 1 7 . 1 1 15 15 GLU N N 15 119.346 119.346 120.635 -1.289 17843 1440 1 7 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.086 -0.050 17843 1441 1 7 . 1 1 15 15 GLU C C 15 178.283 178.283 178.042 0.241 17843 1442 1 7 . 1 1 15 15 GLU CA C 15 57.054 57.054 59.228 -2.174 17843 1443 1 7 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.313 0.635 17843 1444 1 7 . 1 1 15 15 GLU H H 15 8.284 8.284 7.949 0.335 17843 1445 1 7 . 1 1 16 16 ALA N N 16 122.070 122.070 121.294 0.776 17843 1446 1 7 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.072 -0.049 17843 1447 1 7 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.006 0.222 17843 1448 1 7 . 1 1 16 16 ALA H H 16 8.338 8.338 7.744 0.594 17843 1449 1 7 . 1 1 18 18 LYS C C 18 178.327 178.327 178.580 -0.253 17843 1450 1 7 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.463 -2.883 17843 1451 1 7 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.196 0.269 17843 1452 1 7 . 1 1 19 19 GLU N N 19 118.876 118.876 117.826 1.050 17843 1453 1 7 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.174 -0.010 17843 1454 1 7 . 1 1 19 19 GLU C C 19 178.210 178.210 179.284 -1.074 17843 1455 1 7 . 1 1 19 19 GLU CA C 19 57.816 57.816 58.846 -1.030 17843 1456 1 7 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.160 0.437 17843 1457 1 7 . 1 1 19 19 GLU H H 19 8.187 8.187 7.591 0.596 17843 1458 1 7 . 1 1 20 20 LEU N N 20 120.207 120.207 121.370 -1.163 17843 1459 1 7 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.996 0.104 17843 1460 1 7 . 1 1 20 20 LEU C C 20 178.825 178.825 178.920 -0.095 17843 1461 1 7 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.406 -0.851 17843 1462 1 7 . 1 1 20 20 LEU H H 20 7.957 7.957 8.405 -0.448 17843 1463 1 7 . 1 1 21 21 VAL N N 21 122.396 122.396 119.639 2.757 17843 1464 1 7 . 1 1 21 21 VAL C C 21 177.830 177.830 178.327 -0.497 17843 1465 1 7 . 1 1 21 21 VAL H H 21 8.807 8.807 8.490 0.317 17843 1466 1 7 . 1 1 22 22 ASP N N 22 122.142 122.142 120.804 1.338 17843 1467 1 7 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.398 -0.208 17843 1468 1 7 . 1 1 22 22 ASP H H 22 8.146 8.146 8.113 0.033 17843 1469 1 7 . 1 1 23 23 ALA C C 23 177.615 177.615 178.224 -0.609 17843 1470 1 7 . 1 1 24 24 GLY N N 24 108.124 108.124 107.486 0.638 17843 1471 1 7 . 1 1 24 24 GLY C C 24 174.273 174.273 174.555 -0.282 17843 1472 1 7 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.937 0.291 17843 1473 1 7 . 1 1 24 24 GLY H H 24 8.015 8.015 7.679 0.336 17843 1474 1 7 . 1 1 25 25 ILE N N 25 118.141 118.141 121.374 -3.233 17843 1475 1 7 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.462 -0.490 17843 1476 1 7 . 1 1 25 25 ILE C C 25 175.810 175.810 175.395 0.415 17843 1477 1 7 . 1 1 25 25 ILE CA C 25 58.185 58.185 58.343 -0.158 17843 1478 1 7 . 1 1 25 25 ILE H H 25 7.776 7.776 8.261 -0.485 17843 1479 1 7 . 1 1 26 26 ALA N N 26 127.540 127.540 130.857 -3.317 17843 1480 1 7 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.000 0.087 17843 1481 1 7 . 1 1 26 26 ALA C C 26 177.683 177.683 179.284 -1.601 17843 1482 1 7 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.479 -0.705 17843 1483 1 7 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.761 0.063 17843 1484 1 7 . 1 1 26 26 ALA H H 26 8.316 8.316 8.546 -0.230 17843 1485 1 7 . 1 1 27 27 GLU N N 27 120.829 120.829 118.545 2.284 17843 1486 1 7 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.093 0.045 17843 1487 1 7 . 1 1 27 27 GLU C C 27 176.322 176.322 178.640 -2.318 17843 1488 1 7 . 1 1 27 27 GLU CA C 27 57.116 57.116 60.022 -2.906 17843 1489 1 7 . 1 1 27 27 GLU H H 27 8.188 8.188 8.689 -0.501 17843 1490 1 7 . 1 1 28 28 LYS N N 28 116.307 116.307 117.038 -0.731 17843 1491 1 7 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.220 -0.312 17843 1492 1 7 . 1 1 28 28 LYS C C 28 177.464 177.464 178.743 -1.279 17843 1493 1 7 . 1 1 28 28 LYS H H 28 8.018 8.018 7.795 0.223 17843 1494 1 7 . 1 1 29 29 TYR N N 29 117.013 117.013 121.559 -4.546 17843 1495 1 7 . 1 1 29 29 TYR C C 29 177.595 177.595 177.255 0.340 17843 1496 1 7 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.847 -2.219 17843 1497 1 7 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.189 -0.045 17843 1498 1 7 . 1 1 29 29 TYR H H 29 7.291 7.291 7.884 -0.593 17843 1499 1 7 . 1 1 30 30 PHE N N 30 118.973 118.973 115.457 3.516 17843 1500 1 7 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.457 -0.370 17843 1501 1 7 . 1 1 30 30 PHE C C 30 177.083 177.083 176.741 0.342 17843 1502 1 7 . 1 1 30 30 PHE CA C 30 57.933 57.933 60.373 -2.440 17843 1503 1 7 . 1 1 30 30 PHE CB C 30 45.052 45.052 39.764 5.288 17843 1504 1 7 . 1 1 30 30 PHE H H 30 7.957 7.957 8.083 -0.126 17843 1505 1 7 . 1 1 31 31 LYS N N 31 118.711 118.711 118.346 0.365 17843 1506 1 7 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.193 -0.182 17843 1507 1 7 . 1 1 31 31 LYS C C 31 177.449 177.449 177.849 -0.400 17843 1508 1 7 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.502 0.341 17843 1509 1 7 . 1 1 31 31 LYS H H 31 7.863 7.863 7.879 -0.016 17843 1510 1 7 . 1 1 32 32 LEU N N 32 117.926 117.926 121.150 -3.224 17843 1511 1 7 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.866 -0.048 17843 1512 1 7 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.688 -0.577 17843 1513 1 7 . 1 1 32 32 LEU H H 32 7.297 7.297 7.347 -0.050 17843 1514 1 7 . 1 1 33 33 ILE N N 33 118.783 118.783 119.199 -0.416 17843 1515 1 7 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.864 0.121 17843 1516 1 7 . 1 1 33 33 ILE CA C 33 61.814 61.814 62.643 -0.829 17843 1517 1 7 . 1 1 33 33 ILE H H 33 7.709 7.709 7.658 0.051 17843 1518 1 7 . 1 1 35 35 ASN C C 35 175.400 175.400 174.628 0.772 17843 1519 1 7 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.716 -0.430 17843 1520 1 7 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.973 -0.068 17843 1521 1 7 . 1 1 36 36 ALA N N 36 124.207 124.207 123.456 0.751 17843 1522 1 7 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.271 0.686 17843 1523 1 7 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.100 1.401 17843 1524 1 7 . 1 1 36 36 ALA H H 36 7.292 7.292 7.528 -0.236 17843 1525 1 7 . 1 1 37 37 LYS C C 37 176.761 176.761 176.608 0.153 17843 1526 1 7 . 1 1 37 37 LYS CA C 37 56.292 56.292 57.976 -1.684 17843 1527 1 7 . 1 1 38 38 THR N N 38 106.253 106.253 105.730 0.523 17843 1528 1 7 . 1 1 38 38 THR HA H 38 4.407 4.407 4.498 -0.091 17843 1529 1 7 . 1 1 38 38 THR C C 38 174.112 174.112 175.491 -1.379 17843 1530 1 7 . 1 1 38 38 THR H H 38 7.273 7.273 7.308 -0.035 17843 1531 1 7 . 1 1 39 39 VAL N N 39 122.396 122.396 116.873 5.523 17843 1532 1 7 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.898 0.074 17843 1533 1 7 . 1 1 39 39 VAL C C 39 176.527 176.527 177.230 -0.703 17843 1534 1 7 . 1 1 39 39 VAL CA C 39 67.551 67.551 65.045 2.506 17843 1535 1 7 . 1 1 39 39 VAL H H 39 8.821 8.821 8.696 0.125 17843 1536 1 7 . 1 1 40 40 GLU N N 40 117.771 117.771 121.137 -3.366 17843 1537 1 7 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.999 -0.078 17843 1538 1 7 . 1 1 40 40 GLU C C 40 179.574 179.574 178.798 0.776 17843 1539 1 7 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.463 0.631 17843 1540 1 7 . 1 1 40 40 GLU H H 40 8.596 8.596 8.779 -0.183 17843 1541 1 7 . 1 1 41 41 GLY N N 41 108.656 108.656 108.535 0.121 17843 1542 1 7 . 1 1 41 41 GLY C C 41 176.264 176.264 175.404 0.860 17843 1543 1 7 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.730 -1.151 17843 1544 1 7 . 1 1 41 41 GLY H H 41 7.945 7.945 8.048 -0.103 17843 1545 1 7 . 1 1 42 42 VAL N N 42 121.716 121.716 121.674 0.042 17843 1546 1 7 . 1 1 42 42 VAL C C 42 177.273 177.273 176.938 0.335 17843 1547 1 7 . 1 1 42 42 VAL CA C 42 66.732 66.732 66.294 0.438 17843 1548 1 7 . 1 1 42 42 VAL H H 42 7.809 7.809 7.562 0.247 17843 1549 1 7 . 1 1 43 43 TRP N N 43 118.909 118.909 121.573 -2.664 17843 1550 1 7 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.066 -0.119 17843 1551 1 7 . 1 1 43 43 TRP C C 43 178.781 178.781 177.506 1.275 17843 1552 1 7 . 1 1 43 43 TRP CA C 43 59.604 59.604 60.551 -0.947 17843 1553 1 7 . 1 1 43 43 TRP H H 43 7.498 7.498 7.932 -0.434 17843 1554 1 7 . 1 1 44 44 THR N N 44 116.154 116.154 115.420 0.734 17843 1555 1 7 . 1 1 44 44 THR HA H 44 3.985 3.985 3.690 0.295 17843 1556 1 7 . 1 1 44 44 THR C C 44 177.639 177.639 176.660 0.979 17843 1557 1 7 . 1 1 44 44 THR CA C 44 66.629 66.629 66.865 -0.236 17843 1558 1 7 . 1 1 44 44 THR H H 44 8.157 8.157 7.970 0.187 17843 1559 1 7 . 1 1 45 45 TYR N N 45 121.630 121.630 119.950 1.680 17843 1560 1 7 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.253 -0.025 17843 1561 1 7 . 1 1 45 45 TYR H H 45 8.066 8.066 7.898 0.168 17843 1562 1 7 . 1 1 46 46 LYS N N 46 119.502 119.502 121.511 -2.009 17843 1563 1 7 . 1 1 46 46 LYS CA C 46 59.619 59.619 59.910 -0.291 17843 1564 1 7 . 1 1 46 46 LYS H H 46 8.422 8.422 8.030 0.392 17843 1565 1 7 . 1 1 47 47 ASP N N 47 117.441 117.441 119.164 -1.723 17843 1566 1 7 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.151 -0.140 17843 1567 1 7 . 1 1 47 47 ASP C C 47 174.917 174.917 178.675 -3.758 17843 1568 1 7 . 1 1 47 47 ASP H H 47 7.446 7.446 7.573 -0.127 17843 1569 1 7 . 1 1 48 48 GLU N N 48 121.387 121.387 119.879 1.508 17843 1570 1 7 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.659 0.300 17843 1571 1 7 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.648 1.249 17843 1572 1 7 . 1 1 48 48 GLU H H 48 7.718 7.718 7.882 -0.164 17843 1573 1 7 . 1 1 50 50 LYS C C 50 176.922 176.922 178.588 -1.666 17843 1574 1 7 . 1 1 51 51 THR N N 51 110.556 110.556 116.699 -6.143 17843 1575 1 7 . 1 1 51 51 THR HA H 51 4.164 4.164 4.003 0.161 17843 1576 1 7 . 1 1 51 51 THR C C 51 175.429 175.429 176.814 -1.385 17843 1577 1 7 . 1 1 51 51 THR H H 51 7.510 7.510 7.683 -0.173 17843 1578 1 7 . 1 1 52 52 PHE N N 52 121.424 121.424 120.625 0.799 17843 1579 1 7 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.573 -0.831 17843 1580 1 7 . 1 1 52 52 PHE C C 52 177.914 177.914 178.585 -0.671 17843 1581 1 7 . 1 1 52 52 PHE H H 52 7.574 7.574 8.272 -0.698 17843 1582 1 7 . 1 1 53 53 THR N N 53 114.075 114.075 115.162 -1.087 17843 1583 1 7 . 1 1 53 53 THR C C 53 177.639 177.639 176.509 1.130 17843 1584 1 7 . 1 1 53 53 THR H H 53 7.897 7.897 8.016 -0.119 17843 1585 1 7 . 1 1 54 54 VAL N N 54 122.414 122.414 120.822 1.592 17843 1586 1 7 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.779 0.462 17843 1587 1 7 . 1 1 54 54 VAL C C 54 179.601 179.601 177.422 2.179 17843 1588 1 7 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.270 -2.602 17843 1589 1 7 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.078 0.738 17843 1590 1 7 . 1 1 54 54 VAL H H 54 8.069 8.069 7.683 0.386 17843 1591 1 7 . 1 1 55 55 THR N N 55 118.343 118.343 109.680 8.663 17843 1592 1 7 . 1 1 55 55 THR HA H 55 4.126 4.126 4.282 -0.156 17843 1593 1 7 . 1 1 55 55 THR C C 55 173.658 173.658 175.289 -1.631 17843 1594 1 7 . 1 1 55 55 THR CA C 55 61.819 61.819 62.559 -0.740 17843 1595 1 7 . 1 1 55 55 THR CB C 55 70.154 70.154 69.229 0.925 17843 1596 1 7 . 1 1 55 55 THR H H 55 8.189 8.189 7.891 0.298 17843 1597 1 8 . 1 1 2 2 THR N N 2 128.406 128.406 120.510 7.896 17843 1598 1 8 . 1 1 2 2 THR HA H 2 4.338 4.338 4.387 -0.049 17843 1599 1 8 . 1 1 2 2 THR C C 2 176.278 176.278 173.723 2.555 17843 1600 1 8 . 1 1 2 2 THR H H 2 7.964 7.964 8.241 -0.277 17843 1601 1 8 . 1 1 3 3 TYR N N 3 124.128 124.128 124.592 -0.464 17843 1602 1 8 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.546 -0.344 17843 1603 1 8 . 1 1 3 3 TYR C C 3 175.400 175.400 175.819 -0.419 17843 1604 1 8 . 1 1 3 3 TYR CA C 3 58.072 58.072 57.562 0.510 17843 1605 1 8 . 1 1 3 3 TYR CB C 3 38.846 38.846 38.937 -0.091 17843 1606 1 8 . 1 1 3 3 TYR H H 3 8.369 8.369 8.576 -0.207 17843 1607 1 8 . 1 1 4 4 LYS N N 4 123.685 123.685 120.474 3.211 17843 1608 1 8 . 1 1 4 4 LYS HA H 4 4.113 4.113 4.324 -0.211 17843 1609 1 8 . 1 1 4 4 LYS C C 4 175.956 175.956 176.128 -0.172 17843 1610 1 8 . 1 1 4 4 LYS CA C 4 56.135 56.135 55.317 0.818 17843 1611 1 8 . 1 1 4 4 LYS CB C 4 32.758 32.758 33.550 -0.792 17843 1612 1 8 . 1 1 4 4 LYS H H 4 8.012 8.012 7.758 0.254 17843 1613 1 8 . 1 1 5 5 LEU N N 5 122.275 122.275 122.831 -0.556 17843 1614 1 8 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.010 0.166 17843 1615 1 8 . 1 1 5 5 LEU C C 5 176.937 176.937 175.660 1.277 17843 1616 1 8 . 1 1 5 5 LEU CA C 5 55.520 55.520 55.051 0.469 17843 1617 1 8 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.062 -0.054 17843 1618 1 8 . 1 1 5 5 LEU H H 5 7.929 7.929 8.059 -0.130 17843 1619 1 8 . 1 1 6 6 ILE N N 6 123.581 123.581 125.478 -1.897 17843 1620 1 8 . 1 1 6 6 ILE HA H 6 4.215 4.215 3.347 0.868 17843 1621 1 8 . 1 1 6 6 ILE C C 6 176.732 176.732 175.202 1.530 17843 1622 1 8 . 1 1 6 6 ILE CA C 6 60.992 60.992 58.993 1.999 17843 1623 1 8 . 1 1 6 6 ILE CB C 6 38.612 38.612 37.981 0.631 17843 1624 1 8 . 1 1 6 6 ILE H H 6 8.116 8.116 7.721 0.395 17843 1625 1 8 . 1 1 7 7 LEU N N 7 125.222 125.222 126.499 -1.277 17843 1626 1 8 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.365 -0.253 17843 1627 1 8 . 1 1 7 7 LEU C C 7 177.405 177.405 176.535 0.870 17843 1628 1 8 . 1 1 7 7 LEU CA C 7 55.541 55.541 53.770 1.771 17843 1629 1 8 . 1 1 7 7 LEU CB C 7 42.593 42.593 43.105 -0.512 17843 1630 1 8 . 1 1 7 7 LEU H H 7 8.034 8.034 8.203 -0.169 17843 1631 1 8 . 1 1 8 8 ASN N N 8 118.212 118.212 118.789 -0.577 17843 1632 1 8 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.559 -0.357 17843 1633 1 8 . 1 1 8 8 ASN C C 8 174.463 174.463 177.186 -2.723 17843 1634 1 8 . 1 1 8 8 ASN CA C 8 53.073 53.073 53.793 -0.720 17843 1635 1 8 . 1 1 8 8 ASN CB C 8 38.788 38.788 39.677 -0.889 17843 1636 1 8 . 1 1 8 8 ASN H H 8 8.127 8.127 8.494 -0.367 17843 1637 1 8 . 1 1 9 9 LEU N N 9 122.727 122.727 127.416 -4.689 17843 1638 1 8 . 1 1 9 9 LEU HA H 9 4.227 4.227 3.894 0.333 17843 1639 1 8 . 1 1 9 9 LEU C C 9 177.595 177.595 178.489 -0.894 17843 1640 1 8 . 1 1 9 9 LEU CA C 9 58.609 58.609 58.015 0.594 17843 1641 1 8 . 1 1 9 9 LEU H H 9 8.204 8.204 8.804 -0.600 17843 1642 1 8 . 1 1 10 10 LYS N N 10 118.199 118.199 118.466 -0.267 17843 1643 1 8 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.829 0.182 17843 1644 1 8 . 1 1 10 10 LYS H H 10 7.952 7.952 8.366 -0.414 17843 1645 1 8 . 1 1 11 11 GLN N N 11 117.600 117.600 119.017 -1.417 17843 1646 1 8 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.139 -0.155 17843 1647 1 8 . 1 1 11 11 GLN C C 11 179.161 179.161 178.205 0.956 17843 1648 1 8 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.392 -1.456 17843 1649 1 8 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.323 1.566 17843 1650 1 8 . 1 1 11 11 GLN H H 11 7.586 7.586 7.855 -0.269 17843 1651 1 8 . 1 1 12 12 ALA N N 12 122.858 122.858 122.446 0.412 17843 1652 1 8 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.033 -0.022 17843 1653 1 8 . 1 1 12 12 ALA C C 12 179.161 179.161 179.185 -0.024 17843 1654 1 8 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.583 0.417 17843 1655 1 8 . 1 1 12 12 ALA H H 12 8.285 8.285 8.695 -0.410 17843 1656 1 8 . 1 1 13 13 LYS N N 13 116.783 116.783 119.409 -2.626 17843 1657 1 8 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.947 0.050 17843 1658 1 8 . 1 1 13 13 LYS C C 13 177.669 177.669 178.754 -1.085 17843 1659 1 8 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.818 -0.316 17843 1660 1 8 . 1 1 13 13 LYS H H 13 8.086 8.086 8.311 -0.225 17843 1661 1 8 . 1 1 14 14 GLU N N 14 116.603 116.603 119.061 -2.458 17843 1662 1 8 . 1 1 14 14 GLU HA H 14 4.023 4.023 3.989 0.034 17843 1663 1 8 . 1 1 14 14 GLU C C 14 180.113 180.113 179.251 0.862 17843 1664 1 8 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.476 -0.721 17843 1665 1 8 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.481 0.350 17843 1666 1 8 . 1 1 14 14 GLU H H 14 7.533 7.533 7.728 -0.195 17843 1667 1 8 . 1 1 15 15 GLU N N 15 119.346 119.346 119.100 0.246 17843 1668 1 8 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.019 0.017 17843 1669 1 8 . 1 1 15 15 GLU C C 15 178.283 178.283 178.918 -0.635 17843 1670 1 8 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.850 -1.796 17843 1671 1 8 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.153 0.795 17843 1672 1 8 . 1 1 15 15 GLU H H 15 8.284 8.284 8.336 -0.052 17843 1673 1 8 . 1 1 16 16 ALA N N 16 122.070 122.070 122.241 -0.171 17843 1674 1 8 . 1 1 16 16 ALA HA H 16 4.023 4.023 3.992 0.031 17843 1675 1 8 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.025 0.203 17843 1676 1 8 . 1 1 16 16 ALA H H 16 8.338 8.338 8.106 0.232 17843 1677 1 8 . 1 1 18 18 LYS C C 18 178.327 178.327 179.074 -0.747 17843 1678 1 8 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.231 -2.651 17843 1679 1 8 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.037 0.428 17843 1680 1 8 . 1 1 19 19 GLU N N 19 118.876 118.876 118.674 0.202 17843 1681 1 8 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.188 -0.024 17843 1682 1 8 . 1 1 19 19 GLU C C 19 178.210 178.210 178.918 -0.708 17843 1683 1 8 . 1 1 19 19 GLU CA C 19 57.816 57.816 58.144 -0.327 17843 1684 1 8 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.295 0.302 17843 1685 1 8 . 1 1 19 19 GLU H H 19 8.187 8.187 7.440 0.747 17843 1686 1 8 . 1 1 20 20 LEU N N 20 120.207 120.207 121.675 -1.468 17843 1687 1 8 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.025 0.075 17843 1688 1 8 . 1 1 20 20 LEU C C 20 178.825 178.825 179.237 -0.412 17843 1689 1 8 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.257 -0.702 17843 1690 1 8 . 1 1 20 20 LEU H H 20 7.957 7.957 8.334 -0.377 17843 1691 1 8 . 1 1 21 21 VAL N N 21 122.396 122.396 118.150 4.246 17843 1692 1 8 . 1 1 21 21 VAL C C 21 177.830 177.830 177.329 0.501 17843 1693 1 8 . 1 1 21 21 VAL H H 21 8.807 8.807 8.248 0.559 17843 1694 1 8 . 1 1 22 22 ASP N N 22 122.142 122.142 119.893 2.249 17843 1695 1 8 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.459 -0.269 17843 1696 1 8 . 1 1 22 22 ASP H H 22 8.146 8.146 7.640 0.506 17843 1697 1 8 . 1 1 23 23 ALA C C 23 177.615 177.615 178.447 -0.832 17843 1698 1 8 . 1 1 24 24 GLY N N 24 108.124 108.124 106.462 1.662 17843 1699 1 8 . 1 1 24 24 GLY C C 24 174.273 174.273 174.700 -0.427 17843 1700 1 8 . 1 1 24 24 GLY CA C 24 45.228 45.228 45.096 0.132 17843 1701 1 8 . 1 1 24 24 GLY H H 24 8.015 8.015 7.652 0.363 17843 1702 1 8 . 1 1 25 25 ILE N N 25 118.141 118.141 122.422 -4.281 17843 1703 1 8 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.240 -0.268 17843 1704 1 8 . 1 1 25 25 ILE C C 25 175.810 175.810 175.556 0.254 17843 1705 1 8 . 1 1 25 25 ILE CA C 25 58.185 58.185 60.298 -2.113 17843 1706 1 8 . 1 1 25 25 ILE H H 25 7.776 7.776 7.512 0.264 17843 1707 1 8 . 1 1 26 26 ALA N N 26 127.540 127.540 130.852 -3.312 17843 1708 1 8 . 1 1 26 26 ALA HA H 26 4.087 4.087 3.982 0.105 17843 1709 1 8 . 1 1 26 26 ALA C C 26 177.683 177.683 179.107 -1.424 17843 1710 1 8 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.401 -0.627 17843 1711 1 8 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.660 0.164 17843 1712 1 8 . 1 1 26 26 ALA H H 26 8.316 8.316 8.662 -0.346 17843 1713 1 8 . 1 1 27 27 GLU N N 27 120.829 120.829 118.590 2.239 17843 1714 1 8 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.094 0.044 17843 1715 1 8 . 1 1 27 27 GLU C C 27 176.322 176.322 178.669 -2.347 17843 1716 1 8 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.841 -2.725 17843 1717 1 8 . 1 1 27 27 GLU H H 27 8.188 8.188 8.614 -0.426 17843 1718 1 8 . 1 1 28 28 LYS N N 28 116.307 116.307 117.568 -1.261 17843 1719 1 8 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.213 -0.305 17843 1720 1 8 . 1 1 28 28 LYS C C 28 177.464 177.464 178.919 -1.455 17843 1721 1 8 . 1 1 28 28 LYS H H 28 8.018 8.018 7.732 0.286 17843 1722 1 8 . 1 1 29 29 TYR N N 29 117.013 117.013 120.258 -3.245 17843 1723 1 8 . 1 1 29 29 TYR C C 29 177.595 177.595 176.087 1.508 17843 1724 1 8 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.321 -1.692 17843 1725 1 8 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.218 -0.074 17843 1726 1 8 . 1 1 29 29 TYR H H 29 7.291 7.291 7.814 -0.523 17843 1727 1 8 . 1 1 30 30 PHE N N 30 118.973 118.973 113.118 5.855 17843 1728 1 8 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.594 -0.507 17843 1729 1 8 . 1 1 30 30 PHE C C 30 177.083 177.083 176.899 0.184 17843 1730 1 8 . 1 1 30 30 PHE CA C 30 57.933 57.933 59.665 -1.732 17843 1731 1 8 . 1 1 30 30 PHE CB C 30 45.052 45.052 40.338 4.714 17843 1732 1 8 . 1 1 30 30 PHE H H 30 7.957 7.957 7.562 0.395 17843 1733 1 8 . 1 1 31 31 LYS N N 31 118.711 118.711 120.365 -1.654 17843 1734 1 8 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.122 -0.111 17843 1735 1 8 . 1 1 31 31 LYS C C 31 177.449 177.449 178.153 -0.704 17843 1736 1 8 . 1 1 31 31 LYS CA C 31 58.843 58.843 59.184 -0.341 17843 1737 1 8 . 1 1 31 31 LYS H H 31 7.863 7.863 8.260 -0.397 17843 1738 1 8 . 1 1 32 32 LEU N N 32 117.926 117.926 120.574 -2.648 17843 1739 1 8 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.892 -0.074 17843 1740 1 8 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.667 -0.555 17843 1741 1 8 . 1 1 32 32 LEU H H 32 7.297 7.297 7.585 -0.288 17843 1742 1 8 . 1 1 33 33 ILE N N 33 118.783 118.783 118.101 0.682 17843 1743 1 8 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.938 0.047 17843 1744 1 8 . 1 1 33 33 ILE CA C 33 61.814 61.814 63.041 -1.227 17843 1745 1 8 . 1 1 33 33 ILE H H 33 7.709 7.709 7.612 0.097 17843 1746 1 8 . 1 1 35 35 ASN C C 35 175.400 175.400 174.510 0.890 17843 1747 1 8 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.653 -0.367 17843 1748 1 8 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.774 0.131 17843 1749 1 8 . 1 1 36 36 ALA N N 36 124.207 124.207 122.589 1.618 17843 1750 1 8 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.567 0.390 17843 1751 1 8 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.469 1.032 17843 1752 1 8 . 1 1 36 36 ALA H H 36 7.292 7.292 7.330 -0.038 17843 1753 1 8 . 1 1 37 37 LYS C C 37 176.761 176.761 176.035 0.726 17843 1754 1 8 . 1 1 37 37 LYS CA C 37 56.292 56.292 56.631 -0.339 17843 1755 1 8 . 1 1 38 38 THR N N 38 106.253 106.253 110.226 -3.973 17843 1756 1 8 . 1 1 38 38 THR HA H 38 4.407 4.407 4.515 -0.108 17843 1757 1 8 . 1 1 38 38 THR C C 38 174.112 174.112 174.481 -0.369 17843 1758 1 8 . 1 1 38 38 THR H H 38 7.273 7.273 7.268 0.005 17843 1759 1 8 . 1 1 39 39 VAL N N 39 122.396 122.396 121.780 0.616 17843 1760 1 8 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.699 0.273 17843 1761 1 8 . 1 1 39 39 VAL C C 39 176.527 176.527 177.232 -0.705 17843 1762 1 8 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.626 2.925 17843 1763 1 8 . 1 1 39 39 VAL H H 39 8.821 8.821 8.474 0.347 17843 1764 1 8 . 1 1 40 40 GLU N N 40 117.771 117.771 119.458 -1.687 17843 1765 1 8 . 1 1 40 40 GLU HA H 40 3.921 3.921 4.062 -0.141 17843 1766 1 8 . 1 1 40 40 GLU C C 40 179.574 179.574 178.743 0.831 17843 1767 1 8 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.330 0.764 17843 1768 1 8 . 1 1 40 40 GLU H H 40 8.596 8.596 8.693 -0.097 17843 1769 1 8 . 1 1 41 41 GLY N N 41 108.656 108.656 108.611 0.045 17843 1770 1 8 . 1 1 41 41 GLY C C 41 176.264 176.264 175.490 0.774 17843 1771 1 8 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.733 -1.154 17843 1772 1 8 . 1 1 41 41 GLY H H 41 7.945 7.945 7.993 -0.048 17843 1773 1 8 . 1 1 42 42 VAL N N 42 121.716 121.716 121.328 0.388 17843 1774 1 8 . 1 1 42 42 VAL C C 42 177.273 177.273 177.682 -0.409 17843 1775 1 8 . 1 1 42 42 VAL CA C 42 66.732 66.732 66.021 0.711 17843 1776 1 8 . 1 1 42 42 VAL H H 42 7.809 7.809 7.812 -0.003 17843 1777 1 8 . 1 1 43 43 TRP N N 43 118.909 118.909 120.865 -1.956 17843 1778 1 8 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.398 -0.451 17843 1779 1 8 . 1 1 43 43 TRP C C 43 178.781 178.781 178.551 0.230 17843 1780 1 8 . 1 1 43 43 TRP CA C 43 59.604 59.604 60.921 -1.317 17843 1781 1 8 . 1 1 43 43 TRP H H 43 7.498 7.498 7.642 -0.144 17843 1782 1 8 . 1 1 44 44 THR N N 44 116.154 116.154 117.008 -0.854 17843 1783 1 8 . 1 1 44 44 THR HA H 44 3.985 3.985 3.873 0.112 17843 1784 1 8 . 1 1 44 44 THR C C 44 177.639 177.639 176.649 0.990 17843 1785 1 8 . 1 1 44 44 THR CA C 44 66.629 66.629 66.684 -0.055 17843 1786 1 8 . 1 1 44 44 THR H H 44 8.157 8.157 8.412 -0.255 17843 1787 1 8 . 1 1 45 45 TYR N N 45 121.630 121.630 120.406 1.224 17843 1788 1 8 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.159 0.069 17843 1789 1 8 . 1 1 45 45 TYR H H 45 8.066 8.066 8.079 -0.013 17843 1790 1 8 . 1 1 46 46 LYS N N 46 119.502 119.502 119.796 -0.294 17843 1791 1 8 . 1 1 46 46 LYS CA C 46 59.619 59.619 59.217 0.402 17843 1792 1 8 . 1 1 46 46 LYS H H 46 8.422 8.422 7.446 0.976 17843 1793 1 8 . 1 1 47 47 ASP N N 47 117.441 117.441 117.472 -0.031 17843 1794 1 8 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.571 -0.560 17843 1795 1 8 . 1 1 47 47 ASP C C 47 174.917 174.917 177.970 -3.053 17843 1796 1 8 . 1 1 47 47 ASP H H 47 7.446 7.446 7.744 -0.298 17843 1797 1 8 . 1 1 48 48 GLU N N 48 121.387 121.387 120.690 0.697 17843 1798 1 8 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.798 0.161 17843 1799 1 8 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.608 1.289 17843 1800 1 8 . 1 1 48 48 GLU H H 48 7.718 7.718 7.560 0.158 17843 1801 1 8 . 1 1 50 50 LYS C C 50 176.922 176.922 178.822 -1.900 17843 1802 1 8 . 1 1 51 51 THR N N 51 110.556 110.556 116.883 -6.327 17843 1803 1 8 . 1 1 51 51 THR HA H 51 4.164 4.164 4.064 0.100 17843 1804 1 8 . 1 1 51 51 THR C C 51 175.429 175.429 176.620 -1.191 17843 1805 1 8 . 1 1 51 51 THR H H 51 7.510 7.510 7.425 0.085 17843 1806 1 8 . 1 1 52 52 PHE N N 52 121.424 121.424 120.429 0.995 17843 1807 1 8 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.677 -0.935 17843 1808 1 8 . 1 1 52 52 PHE C C 52 177.914 177.914 178.591 -0.677 17843 1809 1 8 . 1 1 52 52 PHE H H 52 7.574 7.574 7.998 -0.424 17843 1810 1 8 . 1 1 53 53 THR N N 53 114.075 114.075 115.175 -1.100 17843 1811 1 8 . 1 1 53 53 THR C C 53 177.639 177.639 176.355 1.284 17843 1812 1 8 . 1 1 53 53 THR H H 53 7.897 7.897 8.020 -0.122 17843 1813 1 8 . 1 1 54 54 VAL N N 54 122.414 122.414 120.899 1.515 17843 1814 1 8 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.784 0.457 17843 1815 1 8 . 1 1 54 54 VAL C C 54 179.601 179.601 177.425 2.176 17843 1816 1 8 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.260 -2.592 17843 1817 1 8 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.100 0.716 17843 1818 1 8 . 1 1 54 54 VAL H H 54 8.069 8.069 7.688 0.381 17843 1819 1 8 . 1 1 55 55 THR N N 55 118.343 118.343 109.587 8.756 17843 1820 1 8 . 1 1 55 55 THR HA H 55 4.126 4.126 4.283 -0.157 17843 1821 1 8 . 1 1 55 55 THR C C 55 173.658 173.658 175.339 -1.681 17843 1822 1 8 . 1 1 55 55 THR CA C 55 61.819 61.819 62.110 -0.291 17843 1823 1 8 . 1 1 55 55 THR CB C 55 70.154 70.154 69.205 0.949 17843 1824 1 8 . 1 1 55 55 THR H H 55 8.189 8.189 7.983 0.206 17843 1825 1 9 . 1 1 2 2 THR N N 2 128.406 128.406 118.313 10.093 17843 1826 1 9 . 1 1 2 2 THR HA H 2 4.338 4.338 4.027 0.311 17843 1827 1 9 . 1 1 2 2 THR C C 2 176.278 176.278 175.658 0.620 17843 1828 1 9 . 1 1 2 2 THR H H 2 7.964 7.964 8.449 -0.485 17843 1829 1 9 . 1 1 3 3 TYR N N 3 124.128 124.128 118.405 5.723 17843 1830 1 9 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.245 -0.043 17843 1831 1 9 . 1 1 3 3 TYR C C 3 175.400 175.400 177.393 -1.993 17843 1832 1 9 . 1 1 3 3 TYR CA C 3 58.072 58.072 59.771 -1.699 17843 1833 1 9 . 1 1 3 3 TYR CB C 3 38.846 38.846 37.050 1.796 17843 1834 1 9 . 1 1 3 3 TYR H H 3 8.369 8.369 8.270 0.099 17843 1835 1 9 . 1 1 4 4 LYS N N 4 123.685 123.685 117.873 5.812 17843 1836 1 9 . 1 1 4 4 LYS HA H 4 4.113 4.113 3.938 0.175 17843 1837 1 9 . 1 1 4 4 LYS C C 4 175.956 175.956 177.100 -1.144 17843 1838 1 9 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.914 -1.779 17843 1839 1 9 . 1 1 4 4 LYS CB C 4 32.758 32.758 32.090 0.668 17843 1840 1 9 . 1 1 4 4 LYS H H 4 8.012 8.012 6.938 1.074 17843 1841 1 9 . 1 1 5 5 LEU N N 5 122.275 122.275 117.492 4.783 17843 1842 1 9 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.190 -0.014 17843 1843 1 9 . 1 1 5 5 LEU C C 5 176.937 176.937 176.716 0.221 17843 1844 1 9 . 1 1 5 5 LEU CA C 5 55.520 55.520 54.340 1.180 17843 1845 1 9 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.421 -0.413 17843 1846 1 9 . 1 1 5 5 LEU H H 5 7.929 7.929 7.456 0.473 17843 1847 1 9 . 1 1 6 6 ILE N N 6 123.581 123.581 119.881 3.700 17843 1848 1 9 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.150 0.065 17843 1849 1 9 . 1 1 6 6 ILE C C 6 176.732 176.732 176.827 -0.095 17843 1850 1 9 . 1 1 6 6 ILE CA C 6 60.992 60.992 59.975 1.017 17843 1851 1 9 . 1 1 6 6 ILE CB C 6 38.612 38.612 37.265 1.347 17843 1852 1 9 . 1 1 6 6 ILE H H 6 8.116 8.116 7.295 0.821 17843 1853 1 9 . 1 1 7 7 LEU N N 7 125.222 125.222 129.496 -4.274 17843 1854 1 9 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.119 -0.007 17843 1855 1 9 . 1 1 7 7 LEU C C 7 177.405 177.405 177.487 -0.082 17843 1856 1 9 . 1 1 7 7 LEU CA C 7 55.541 55.541 57.347 -1.806 17843 1857 1 9 . 1 1 7 7 LEU CB C 7 42.593 42.593 41.720 0.873 17843 1858 1 9 . 1 1 7 7 LEU H H 7 8.034 8.034 8.805 -0.771 17843 1859 1 9 . 1 1 8 8 ASN N N 8 118.212 118.212 116.461 1.751 17843 1860 1 9 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.858 -0.656 17843 1861 1 9 . 1 1 8 8 ASN C C 8 174.463 174.463 176.576 -2.113 17843 1862 1 9 . 1 1 8 8 ASN CA C 8 53.073 53.073 53.452 -0.379 17843 1863 1 9 . 1 1 8 8 ASN CB C 8 38.788 38.788 37.571 1.217 17843 1864 1 9 . 1 1 8 8 ASN H H 8 8.127 8.127 8.404 -0.277 17843 1865 1 9 . 1 1 9 9 LEU N N 9 122.727 122.727 123.545 -0.818 17843 1866 1 9 . 1 1 9 9 LEU HA H 9 4.227 4.227 3.933 0.294 17843 1867 1 9 . 1 1 9 9 LEU C C 9 177.595 177.595 177.713 -0.118 17843 1868 1 9 . 1 1 9 9 LEU CA C 9 58.609 58.609 59.166 -0.557 17843 1869 1 9 . 1 1 9 9 LEU H H 9 8.204 8.204 7.703 0.501 17843 1870 1 9 . 1 1 10 10 LYS N N 10 118.199 118.199 117.165 1.034 17843 1871 1 9 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.962 0.049 17843 1872 1 9 . 1 1 10 10 LYS H H 10 7.952 7.952 8.164 -0.212 17843 1873 1 9 . 1 1 11 11 GLN N N 11 117.600 117.600 119.882 -2.282 17843 1874 1 9 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.054 -0.070 17843 1875 1 9 . 1 1 11 11 GLN C C 11 179.161 179.161 177.994 1.167 17843 1876 1 9 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.757 -1.821 17843 1877 1 9 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.172 1.717 17843 1878 1 9 . 1 1 11 11 GLN H H 11 7.586 7.586 8.394 -0.808 17843 1879 1 9 . 1 1 12 12 ALA N N 12 122.858 122.858 121.469 1.389 17843 1880 1 9 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.348 -0.337 17843 1881 1 9 . 1 1 12 12 ALA C C 12 179.161 179.161 179.413 -0.252 17843 1882 1 9 . 1 1 12 12 ALA CA C 12 56.000 56.000 54.874 1.126 17843 1883 1 9 . 1 1 12 12 ALA H H 12 8.285 8.285 8.210 0.075 17843 1884 1 9 . 1 1 13 13 LYS N N 13 116.783 116.783 119.322 -2.539 17843 1885 1 9 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.881 0.116 17843 1886 1 9 . 1 1 13 13 LYS C C 13 177.669 177.669 178.735 -1.066 17843 1887 1 9 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.976 -0.474 17843 1888 1 9 . 1 1 13 13 LYS H H 13 8.086 8.086 7.772 0.314 17843 1889 1 9 . 1 1 14 14 GLU N N 14 116.603 116.603 118.413 -1.810 17843 1890 1 9 . 1 1 14 14 GLU HA H 14 4.023 4.023 4.082 -0.059 17843 1891 1 9 . 1 1 14 14 GLU C C 14 180.113 180.113 179.321 0.792 17843 1892 1 9 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.367 -0.612 17843 1893 1 9 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.658 0.173 17843 1894 1 9 . 1 1 14 14 GLU H H 14 7.533 7.533 8.271 -0.738 17843 1895 1 9 . 1 1 15 15 GLU N N 15 119.346 119.346 120.140 -0.794 17843 1896 1 9 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.113 -0.077 17843 1897 1 9 . 1 1 15 15 GLU C C 15 178.283 178.283 178.925 -0.642 17843 1898 1 9 . 1 1 15 15 GLU CA C 15 57.054 57.054 59.111 -2.058 17843 1899 1 9 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.502 0.446 17843 1900 1 9 . 1 1 15 15 GLU H H 15 8.284 8.284 8.122 0.162 17843 1901 1 9 . 1 1 16 16 ALA N N 16 122.070 122.070 122.793 -0.723 17843 1902 1 9 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.196 -0.173 17843 1903 1 9 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.384 -0.156 17843 1904 1 9 . 1 1 16 16 ALA H H 16 8.338 8.338 8.186 0.152 17843 1905 1 9 . 1 1 18 18 LYS C C 18 178.327 178.327 178.570 -0.243 17843 1906 1 9 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.170 -2.590 17843 1907 1 9 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.367 0.098 17843 1908 1 9 . 1 1 19 19 GLU N N 19 118.876 118.876 118.972 -0.096 17843 1909 1 9 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.164 -0.000 17843 1910 1 9 . 1 1 19 19 GLU C C 19 178.210 178.210 179.315 -1.105 17843 1911 1 9 . 1 1 19 19 GLU CA C 19 57.816 57.816 59.042 -1.226 17843 1912 1 9 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.709 -0.112 17843 1913 1 9 . 1 1 19 19 GLU H H 19 8.187 8.187 7.952 0.235 17843 1914 1 9 . 1 1 20 20 LEU N N 20 120.207 120.207 120.767 -0.560 17843 1915 1 9 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.085 0.015 17843 1916 1 9 . 1 1 20 20 LEU C C 20 178.825 178.825 178.756 0.069 17843 1917 1 9 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.185 -0.630 17843 1918 1 9 . 1 1 20 20 LEU H H 20 7.957 7.957 8.070 -0.113 17843 1919 1 9 . 1 1 21 21 VAL N N 21 122.396 122.396 119.768 2.628 17843 1920 1 9 . 1 1 21 21 VAL C C 21 177.830 177.830 178.212 -0.382 17843 1921 1 9 . 1 1 21 21 VAL H H 21 8.807 8.807 7.917 0.890 17843 1922 1 9 . 1 1 22 22 ASP N N 22 122.142 122.142 120.326 1.816 17843 1923 1 9 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.409 -0.219 17843 1924 1 9 . 1 1 22 22 ASP H H 22 8.146 8.146 7.853 0.293 17843 1925 1 9 . 1 1 23 23 ALA C C 23 177.615 177.615 177.792 -0.177 17843 1926 1 9 . 1 1 24 24 GLY N N 24 108.124 108.124 106.215 1.909 17843 1927 1 9 . 1 1 24 24 GLY C C 24 174.273 174.273 174.654 -0.381 17843 1928 1 9 . 1 1 24 24 GLY CA C 24 45.228 45.228 45.065 0.164 17843 1929 1 9 . 1 1 24 24 GLY H H 24 8.015 8.015 7.766 0.249 17843 1930 1 9 . 1 1 25 25 ILE N N 25 118.141 118.141 121.876 -3.735 17843 1931 1 9 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.305 -0.333 17843 1932 1 9 . 1 1 25 25 ILE C C 25 175.810 175.810 175.389 0.421 17843 1933 1 9 . 1 1 25 25 ILE CA C 25 58.185 58.185 58.528 -0.343 17843 1934 1 9 . 1 1 25 25 ILE H H 25 7.776 7.776 8.358 -0.582 17843 1935 1 9 . 1 1 26 26 ALA N N 26 127.540 127.540 130.317 -2.777 17843 1936 1 9 . 1 1 26 26 ALA HA H 26 4.087 4.087 3.967 0.120 17843 1937 1 9 . 1 1 26 26 ALA C C 26 177.683 177.683 179.318 -1.635 17843 1938 1 9 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.628 -0.854 17843 1939 1 9 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.688 0.136 17843 1940 1 9 . 1 1 26 26 ALA H H 26 8.316 8.316 7.937 0.379 17843 1941 1 9 . 1 1 27 27 GLU N N 27 120.829 120.829 118.371 2.458 17843 1942 1 9 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.097 0.041 17843 1943 1 9 . 1 1 27 27 GLU C C 27 176.322 176.322 178.371 -2.049 17843 1944 1 9 . 1 1 27 27 GLU CA C 27 57.116 57.116 60.140 -3.024 17843 1945 1 9 . 1 1 27 27 GLU H H 27 8.188 8.188 8.735 -0.547 17843 1946 1 9 . 1 1 28 28 LYS N N 28 116.307 116.307 117.028 -0.721 17843 1947 1 9 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.115 -0.207 17843 1948 1 9 . 1 1 28 28 LYS C C 28 177.464 177.464 178.552 -1.088 17843 1949 1 9 . 1 1 28 28 LYS H H 28 8.018 8.018 8.118 -0.100 17843 1950 1 9 . 1 1 29 29 TYR N N 29 117.013 117.013 121.495 -4.482 17843 1951 1 9 . 1 1 29 29 TYR C C 29 177.595 177.595 176.787 0.808 17843 1952 1 9 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.536 -1.907 17843 1953 1 9 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.129 0.015 17843 1954 1 9 . 1 1 29 29 TYR H H 29 7.291 7.291 7.863 -0.572 17843 1955 1 9 . 1 1 30 30 PHE N N 30 118.973 118.973 115.469 3.504 17843 1956 1 9 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.283 -0.196 17843 1957 1 9 . 1 1 30 30 PHE C C 30 177.083 177.083 177.089 -0.006 17843 1958 1 9 . 1 1 30 30 PHE CA C 30 57.933 57.933 60.880 -2.947 17843 1959 1 9 . 1 1 30 30 PHE CB C 30 45.052 45.052 39.648 5.404 17843 1960 1 9 . 1 1 30 30 PHE H H 30 7.957 7.957 8.183 -0.226 17843 1961 1 9 . 1 1 31 31 LYS N N 31 118.711 118.711 117.739 0.972 17843 1962 1 9 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.200 -0.189 17843 1963 1 9 . 1 1 31 31 LYS C C 31 177.449 177.449 177.773 -0.324 17843 1964 1 9 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.692 0.151 17843 1965 1 9 . 1 1 31 31 LYS H H 31 7.863 7.863 8.108 -0.245 17843 1966 1 9 . 1 1 32 32 LEU N N 32 117.926 117.926 121.258 -3.332 17843 1967 1 9 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.930 -0.112 17843 1968 1 9 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.793 -0.681 17843 1969 1 9 . 1 1 32 32 LEU H H 32 7.297 7.297 7.552 -0.255 17843 1970 1 9 . 1 1 33 33 ILE N N 33 118.783 118.783 117.361 1.422 17843 1971 1 9 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.813 0.172 17843 1972 1 9 . 1 1 33 33 ILE CA C 33 61.814 61.814 62.693 -0.879 17843 1973 1 9 . 1 1 33 33 ILE H H 33 7.709 7.709 7.736 -0.027 17843 1974 1 9 . 1 1 35 35 ASN C C 35 175.400 175.400 174.740 0.660 17843 1975 1 9 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.368 -0.082 17843 1976 1 9 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.891 0.014 17843 1977 1 9 . 1 1 36 36 ALA N N 36 124.207 124.207 122.378 1.829 17843 1978 1 9 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.322 0.635 17843 1979 1 9 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.931 0.570 17843 1980 1 9 . 1 1 36 36 ALA H H 36 7.292 7.292 7.290 0.002 17843 1981 1 9 . 1 1 37 37 LYS C C 37 176.761 176.761 175.713 1.048 17843 1982 1 9 . 1 1 37 37 LYS CA C 37 56.292 56.292 56.814 -0.522 17843 1983 1 9 . 1 1 38 38 THR N N 38 106.253 106.253 109.007 -2.754 17843 1984 1 9 . 1 1 38 38 THR HA H 38 4.407 4.407 3.606 0.801 17843 1985 1 9 . 1 1 38 38 THR C C 38 174.112 174.112 174.119 -0.007 17843 1986 1 9 . 1 1 38 38 THR H H 38 7.273 7.273 7.329 -0.056 17843 1987 1 9 . 1 1 39 39 VAL N N 39 122.396 122.396 121.379 1.017 17843 1988 1 9 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.382 0.590 17843 1989 1 9 . 1 1 39 39 VAL C C 39 176.527 176.527 176.325 0.202 17843 1990 1 9 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.578 2.973 17843 1991 1 9 . 1 1 39 39 VAL H H 39 8.821 8.821 8.374 0.447 17843 1992 1 9 . 1 1 40 40 GLU N N 40 117.771 117.771 118.909 -1.138 17843 1993 1 9 . 1 1 40 40 GLU HA H 40 3.921 3.921 4.144 -0.223 17843 1994 1 9 . 1 1 40 40 GLU C C 40 179.574 179.574 178.740 0.834 17843 1995 1 9 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.596 0.498 17843 1996 1 9 . 1 1 40 40 GLU H H 40 8.596 8.596 8.551 0.045 17843 1997 1 9 . 1 1 41 41 GLY N N 41 108.656 108.656 108.437 0.219 17843 1998 1 9 . 1 1 41 41 GLY C C 41 176.264 176.264 175.393 0.871 17843 1999 1 9 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.743 -1.165 17843 2000 1 9 . 1 1 41 41 GLY H H 41 7.945 7.945 7.994 -0.049 17843 2001 1 9 . 1 1 42 42 VAL N N 42 121.716 121.716 121.484 0.232 17843 2002 1 9 . 1 1 42 42 VAL C C 42 177.273 177.273 177.639 -0.366 17843 2003 1 9 . 1 1 42 42 VAL CA C 42 66.732 66.732 66.118 0.614 17843 2004 1 9 . 1 1 42 42 VAL H H 42 7.809 7.809 7.292 0.517 17843 2005 1 9 . 1 1 43 43 TRP N N 43 118.909 118.909 119.642 -0.733 17843 2006 1 9 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.458 -0.511 17843 2007 1 9 . 1 1 43 43 TRP C C 43 178.781 178.781 178.895 -0.114 17843 2008 1 9 . 1 1 43 43 TRP CA C 43 59.604 59.604 59.510 0.094 17843 2009 1 9 . 1 1 43 43 TRP H H 43 7.498 7.498 8.090 -0.592 17843 2010 1 9 . 1 1 44 44 THR N N 44 116.154 116.154 116.037 0.117 17843 2011 1 9 . 1 1 44 44 THR HA H 44 3.985 3.985 4.122 -0.137 17843 2012 1 9 . 1 1 44 44 THR C C 44 177.639 177.639 176.677 0.962 17843 2013 1 9 . 1 1 44 44 THR CA C 44 66.629 66.629 66.534 0.095 17843 2014 1 9 . 1 1 44 44 THR H H 44 8.157 8.157 7.948 0.209 17843 2015 1 9 . 1 1 45 45 TYR N N 45 121.630 121.630 119.942 1.688 17843 2016 1 9 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.185 0.043 17843 2017 1 9 . 1 1 45 45 TYR H H 45 8.066 8.066 8.143 -0.077 17843 2018 1 9 . 1 1 46 46 LYS N N 46 119.502 119.502 118.429 1.073 17843 2019 1 9 . 1 1 46 46 LYS CA C 46 59.619 59.619 58.496 1.123 17843 2020 1 9 . 1 1 46 46 LYS H H 46 8.422 8.422 7.998 0.424 17843 2021 1 9 . 1 1 47 47 ASP N N 47 117.441 117.441 118.872 -1.431 17843 2022 1 9 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.651 -0.640 17843 2023 1 9 . 1 1 47 47 ASP C C 47 174.917 174.917 178.049 -3.132 17843 2024 1 9 . 1 1 47 47 ASP H H 47 7.446 7.446 7.937 -0.491 17843 2025 1 9 . 1 1 48 48 GLU N N 48 121.387 121.387 120.797 0.590 17843 2026 1 9 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.922 0.037 17843 2027 1 9 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.020 1.877 17843 2028 1 9 . 1 1 48 48 GLU H H 48 7.718 7.718 8.017 -0.299 17843 2029 1 9 . 1 1 50 50 LYS C C 50 176.922 176.922 177.384 -0.462 17843 2030 1 9 . 1 1 51 51 THR N N 51 110.556 110.556 110.209 0.347 17843 2031 1 9 . 1 1 51 51 THR HA H 51 4.164 4.164 4.484 -0.320 17843 2032 1 9 . 1 1 51 51 THR C C 51 175.429 175.429 175.747 -0.318 17843 2033 1 9 . 1 1 51 51 THR H H 51 7.510 7.510 7.707 -0.197 17843 2034 1 9 . 1 1 52 52 PHE N N 52 121.424 121.424 123.038 -1.614 17843 2035 1 9 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.791 -1.049 17843 2036 1 9 . 1 1 52 52 PHE C C 52 177.914 177.914 178.020 -0.106 17843 2037 1 9 . 1 1 52 52 PHE H H 52 7.574 7.574 7.647 -0.073 17843 2038 1 9 . 1 1 53 53 THR N N 53 114.075 114.075 110.735 3.340 17843 2039 1 9 . 1 1 53 53 THR C C 53 177.639 177.639 175.938 1.701 17843 2040 1 9 . 1 1 53 53 THR H H 53 7.897 7.897 7.757 0.140 17843 2041 1 9 . 1 1 54 54 VAL N N 54 122.414 122.414 121.307 1.107 17843 2042 1 9 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.974 0.267 17843 2043 1 9 . 1 1 54 54 VAL C C 54 179.601 179.601 177.403 2.198 17843 2044 1 9 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.122 -2.454 17843 2045 1 9 . 1 1 54 54 VAL CB C 54 32.816 32.816 31.983 0.833 17843 2046 1 9 . 1 1 54 54 VAL H H 54 8.069 8.069 7.686 0.383 17843 2047 1 9 . 1 1 55 55 THR N N 55 118.343 118.343 110.475 7.868 17843 2048 1 9 . 1 1 55 55 THR HA H 55 4.126 4.126 4.248 -0.122 17843 2049 1 9 . 1 1 55 55 THR C C 55 173.658 173.658 175.439 -1.781 17843 2050 1 9 . 1 1 55 55 THR CA C 55 61.819 61.819 62.416 -0.597 17843 2051 1 9 . 1 1 55 55 THR CB C 55 70.154 70.154 69.148 1.006 17843 2052 1 9 . 1 1 55 55 THR H H 55 8.189 8.189 7.803 0.386 17843 2053 1 10 . 1 1 2 2 THR N N 2 128.406 128.406 112.315 16.091 17843 2054 1 10 . 1 1 2 2 THR HA H 2 4.338 4.338 4.259 0.079 17843 2055 1 10 . 1 1 2 2 THR C C 2 176.278 176.278 175.113 1.165 17843 2056 1 10 . 1 1 2 2 THR H H 2 7.964 7.964 8.040 -0.076 17843 2057 1 10 . 1 1 3 3 TYR N N 3 124.128 124.128 120.551 3.577 17843 2058 1 10 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.344 -0.142 17843 2059 1 10 . 1 1 3 3 TYR C C 3 175.400 175.400 176.206 -0.806 17843 2060 1 10 . 1 1 3 3 TYR CA C 3 58.072 58.072 59.343 -1.271 17843 2061 1 10 . 1 1 3 3 TYR CB C 3 38.846 38.846 38.338 0.508 17843 2062 1 10 . 1 1 3 3 TYR H H 3 8.369 8.369 7.792 0.577 17843 2063 1 10 . 1 1 4 4 LYS N N 4 123.685 123.685 121.062 2.623 17843 2064 1 10 . 1 1 4 4 LYS HA H 4 4.113 4.113 4.522 -0.409 17843 2065 1 10 . 1 1 4 4 LYS C C 4 175.956 175.956 175.217 0.739 17843 2066 1 10 . 1 1 4 4 LYS CA C 4 56.135 56.135 55.267 0.868 17843 2067 1 10 . 1 1 4 4 LYS CB C 4 32.758 32.758 31.781 0.977 17843 2068 1 10 . 1 1 4 4 LYS H H 4 8.012 8.012 7.893 0.119 17843 2069 1 10 . 1 1 5 5 LEU N N 5 122.275 122.275 123.910 -1.635 17843 2070 1 10 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.184 -0.008 17843 2071 1 10 . 1 1 5 5 LEU C C 5 176.937 176.937 176.893 0.044 17843 2072 1 10 . 1 1 5 5 LEU CA C 5 55.520 55.520 53.970 1.550 17843 2073 1 10 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.130 -0.122 17843 2074 1 10 . 1 1 5 5 LEU H H 5 7.929 7.929 8.075 -0.146 17843 2075 1 10 . 1 1 6 6 ILE N N 6 123.581 123.581 121.678 1.903 17843 2076 1 10 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.288 -0.073 17843 2077 1 10 . 1 1 6 6 ILE C C 6 176.732 176.732 176.974 -0.242 17843 2078 1 10 . 1 1 6 6 ILE CA C 6 60.992 60.992 60.800 0.193 17843 2079 1 10 . 1 1 6 6 ILE CB C 6 38.612 38.612 39.217 -0.605 17843 2080 1 10 . 1 1 6 6 ILE H H 6 8.116 8.116 8.320 -0.204 17843 2081 1 10 . 1 1 7 7 LEU N N 7 125.222 125.222 127.050 -1.828 17843 2082 1 10 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.443 -0.331 17843 2083 1 10 . 1 1 7 7 LEU C C 7 177.405 177.405 176.904 0.501 17843 2084 1 10 . 1 1 7 7 LEU CA C 7 55.541 55.541 56.440 -0.899 17843 2085 1 10 . 1 1 7 7 LEU CB C 7 42.593 42.593 42.192 0.401 17843 2086 1 10 . 1 1 7 7 LEU H H 7 8.034 8.034 8.795 -0.761 17843 2087 1 10 . 1 1 8 8 ASN N N 8 118.212 118.212 117.399 0.813 17843 2088 1 10 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.643 -0.441 17843 2089 1 10 . 1 1 8 8 ASN C C 8 174.463 174.463 176.425 -1.962 17843 2090 1 10 . 1 1 8 8 ASN CA C 8 53.073 53.073 53.209 -0.136 17843 2091 1 10 . 1 1 8 8 ASN CB C 8 38.788 38.788 39.395 -0.607 17843 2092 1 10 . 1 1 8 8 ASN H H 8 8.127 8.127 7.684 0.443 17843 2093 1 10 . 1 1 9 9 LEU N N 9 122.727 122.727 128.807 -6.080 17843 2094 1 10 . 1 1 9 9 LEU HA H 9 4.227 4.227 3.970 0.257 17843 2095 1 10 . 1 1 9 9 LEU C C 9 177.595 177.595 177.975 -0.380 17843 2096 1 10 . 1 1 9 9 LEU CA C 9 58.609 58.609 58.166 0.443 17843 2097 1 10 . 1 1 9 9 LEU H H 9 8.204 8.204 8.913 -0.709 17843 2098 1 10 . 1 1 10 10 LYS N N 10 118.199 118.199 118.741 -0.542 17843 2099 1 10 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.870 0.141 17843 2100 1 10 . 1 1 10 10 LYS H H 10 7.952 7.952 7.934 0.018 17843 2101 1 10 . 1 1 11 11 GLN N N 11 117.600 117.600 118.176 -0.576 17843 2102 1 10 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.278 -0.294 17843 2103 1 10 . 1 1 11 11 GLN C C 11 179.161 179.161 178.659 0.502 17843 2104 1 10 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.755 -1.819 17843 2105 1 10 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.847 1.042 17843 2106 1 10 . 1 1 11 11 GLN H H 11 7.586 7.586 8.601 -1.015 17843 2107 1 10 . 1 1 12 12 ALA N N 12 122.858 122.858 123.444 -0.586 17843 2108 1 10 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.036 -0.025 17843 2109 1 10 . 1 1 12 12 ALA C C 12 179.161 179.161 179.360 -0.199 17843 2110 1 10 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.456 0.544 17843 2111 1 10 . 1 1 12 12 ALA H H 12 8.285 8.285 8.615 -0.330 17843 2112 1 10 . 1 1 13 13 LYS N N 13 116.783 116.783 119.059 -2.276 17843 2113 1 10 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.994 0.003 17843 2114 1 10 . 1 1 13 13 LYS C C 13 177.669 177.669 179.159 -1.490 17843 2115 1 10 . 1 1 13 13 LYS CA C 13 59.502 59.502 60.044 -0.542 17843 2116 1 10 . 1 1 13 13 LYS H H 13 8.086 8.086 8.375 -0.289 17843 2117 1 10 . 1 1 14 14 GLU N N 14 116.603 116.603 119.530 -2.927 17843 2118 1 10 . 1 1 14 14 GLU HA H 14 4.023 4.023 4.064 -0.041 17843 2119 1 10 . 1 1 14 14 GLU C C 14 180.113 180.113 179.494 0.619 17843 2120 1 10 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.563 -0.808 17843 2121 1 10 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.595 0.236 17843 2122 1 10 . 1 1 14 14 GLU H H 14 7.533 7.533 8.058 -0.525 17843 2123 1 10 . 1 1 15 15 GLU N N 15 119.346 119.346 118.713 0.633 17843 2124 1 10 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.193 -0.157 17843 2125 1 10 . 1 1 15 15 GLU C C 15 178.283 178.283 178.890 -0.607 17843 2126 1 10 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.540 -1.486 17843 2127 1 10 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.219 0.729 17843 2128 1 10 . 1 1 15 15 GLU H H 15 8.284 8.284 8.038 0.246 17843 2129 1 10 . 1 1 16 16 ALA N N 16 122.070 122.070 122.146 -0.076 17843 2130 1 10 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.137 -0.114 17843 2131 1 10 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.324 -0.096 17843 2132 1 10 . 1 1 16 16 ALA H H 16 8.338 8.338 8.158 0.180 17843 2133 1 10 . 1 1 18 18 LYS C C 18 178.327 178.327 178.394 -0.067 17843 2134 1 10 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.040 -2.460 17843 2135 1 10 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.111 0.354 17843 2136 1 10 . 1 1 19 19 GLU N N 19 118.876 118.876 118.209 0.667 17843 2137 1 10 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.156 0.008 17843 2138 1 10 . 1 1 19 19 GLU C C 19 178.210 178.210 179.123 -0.913 17843 2139 1 10 . 1 1 19 19 GLU CA C 19 57.816 57.816 59.291 -1.475 17843 2140 1 10 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.361 0.236 17843 2141 1 10 . 1 1 19 19 GLU H H 19 8.187 8.187 7.733 0.454 17843 2142 1 10 . 1 1 20 20 LEU N N 20 120.207 120.207 120.222 -0.015 17843 2143 1 10 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.156 -0.056 17843 2144 1 10 . 1 1 20 20 LEU C C 20 178.825 178.825 179.070 -0.245 17843 2145 1 10 . 1 1 20 20 LEU CA C 20 57.555 57.555 57.743 -0.188 17843 2146 1 10 . 1 1 20 20 LEU H H 20 7.957 7.957 7.427 0.530 17843 2147 1 10 . 1 1 21 21 VAL N N 21 122.396 122.396 120.556 1.840 17843 2148 1 10 . 1 1 21 21 VAL C C 21 177.830 177.830 178.223 -0.393 17843 2149 1 10 . 1 1 21 21 VAL H H 21 8.807 8.807 8.007 0.800 17843 2150 1 10 . 1 1 22 22 ASP N N 22 122.142 122.142 120.103 2.039 17843 2151 1 10 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.448 -0.258 17843 2152 1 10 . 1 1 22 22 ASP H H 22 8.146 8.146 7.911 0.235 17843 2153 1 10 . 1 1 23 23 ALA C C 23 177.615 177.615 178.435 -0.820 17843 2154 1 10 . 1 1 24 24 GLY N N 24 108.124 108.124 106.159 1.965 17843 2155 1 10 . 1 1 24 24 GLY C C 24 174.273 174.273 174.354 -0.081 17843 2156 1 10 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.991 0.237 17843 2157 1 10 . 1 1 24 24 GLY H H 24 8.015 8.015 7.891 0.124 17843 2158 1 10 . 1 1 25 25 ILE N N 25 118.141 118.141 121.938 -3.797 17843 2159 1 10 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.257 -0.285 17843 2160 1 10 . 1 1 25 25 ILE C C 25 175.810 175.810 175.215 0.595 17843 2161 1 10 . 1 1 25 25 ILE CA C 25 58.185 58.185 60.630 -2.445 17843 2162 1 10 . 1 1 25 25 ILE H H 25 7.776 7.776 8.172 -0.396 17843 2163 1 10 . 1 1 26 26 ALA N N 26 127.540 127.540 130.629 -3.089 17843 2164 1 10 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.741 -0.654 17843 2165 1 10 . 1 1 26 26 ALA C C 26 177.683 177.683 178.513 -0.830 17843 2166 1 10 . 1 1 26 26 ALA CA C 26 54.774 54.774 54.227 0.547 17843 2167 1 10 . 1 1 26 26 ALA CB C 26 18.824 18.824 19.080 -0.256 17843 2168 1 10 . 1 1 26 26 ALA H H 26 8.316 8.316 8.873 -0.557 17843 2169 1 10 . 1 1 27 27 GLU N N 27 120.829 120.829 118.756 2.073 17843 2170 1 10 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.164 -0.026 17843 2171 1 10 . 1 1 27 27 GLU C C 27 176.322 176.322 178.414 -2.092 17843 2172 1 10 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.332 -2.216 17843 2173 1 10 . 1 1 27 27 GLU H H 27 8.188 8.188 8.557 -0.369 17843 2174 1 10 . 1 1 28 28 LYS N N 28 116.307 116.307 117.078 -0.771 17843 2175 1 10 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.185 -0.277 17843 2176 1 10 . 1 1 28 28 LYS C C 28 177.464 177.464 178.764 -1.300 17843 2177 1 10 . 1 1 28 28 LYS H H 28 8.018 8.018 8.546 -0.528 17843 2178 1 10 . 1 1 29 29 TYR N N 29 117.013 117.013 115.781 1.232 17843 2179 1 10 . 1 1 29 29 TYR C C 29 177.595 177.595 176.520 1.075 17843 2180 1 10 . 1 1 29 29 TYR CA C 29 59.629 59.629 59.809 -0.180 17843 2181 1 10 . 1 1 29 29 TYR CB C 29 38.144 38.144 37.949 0.195 17843 2182 1 10 . 1 1 29 29 TYR H H 29 7.291 7.291 8.184 -0.893 17843 2183 1 10 . 1 1 30 30 PHE N N 30 118.973 118.973 119.124 -0.151 17843 2184 1 10 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.370 -0.283 17843 2185 1 10 . 1 1 30 30 PHE C C 30 177.083 177.083 176.268 0.815 17843 2186 1 10 . 1 1 30 30 PHE CA C 30 57.933 57.933 59.031 -1.098 17843 2187 1 10 . 1 1 30 30 PHE CB C 30 45.052 45.052 40.158 4.894 17843 2188 1 10 . 1 1 30 30 PHE H H 30 7.957 7.957 7.202 0.755 17843 2189 1 10 . 1 1 31 31 LYS N N 31 118.711 118.711 118.658 0.053 17843 2190 1 10 . 1 1 31 31 LYS HA H 31 4.011 4.011 3.937 0.074 17843 2191 1 10 . 1 1 31 31 LYS C C 31 177.449 177.449 178.106 -0.657 17843 2192 1 10 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.537 0.306 17843 2193 1 10 . 1 1 31 31 LYS H H 31 7.863 7.863 8.070 -0.207 17843 2194 1 10 . 1 1 32 32 LEU N N 32 117.926 117.926 121.313 -3.387 17843 2195 1 10 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.910 -0.092 17843 2196 1 10 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.874 -0.762 17843 2197 1 10 . 1 1 32 32 LEU H H 32 7.297 7.297 7.284 0.013 17843 2198 1 10 . 1 1 33 33 ILE N N 33 118.783 118.783 119.132 -0.349 17843 2199 1 10 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.894 0.091 17843 2200 1 10 . 1 1 33 33 ILE CA C 33 61.814 61.814 63.361 -1.547 17843 2201 1 10 . 1 1 33 33 ILE H H 33 7.709 7.709 8.212 -0.503 17843 2202 1 10 . 1 1 35 35 ASN C C 35 175.400 175.400 175.110 0.290 17843 2203 1 10 . 1 1 35 35 ASN CA C 35 52.286 52.286 53.674 -1.388 17843 2204 1 10 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.483 0.422 17843 2205 1 10 . 1 1 36 36 ALA N N 36 124.207 124.207 122.442 1.765 17843 2206 1 10 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.159 0.798 17843 2207 1 10 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.951 0.550 17843 2208 1 10 . 1 1 36 36 ALA H H 36 7.292 7.292 7.275 0.017 17843 2209 1 10 . 1 1 37 37 LYS C C 37 176.761 176.761 175.879 0.882 17843 2210 1 10 . 1 1 37 37 LYS CA C 37 56.292 56.292 56.379 -0.087 17843 2211 1 10 . 1 1 38 38 THR N N 38 106.253 106.253 109.897 -3.644 17843 2212 1 10 . 1 1 38 38 THR HA H 38 4.407 4.407 4.343 0.064 17843 2213 1 10 . 1 1 38 38 THR C C 38 174.112 174.112 174.078 0.034 17843 2214 1 10 . 1 1 38 38 THR H H 38 7.273 7.273 7.299 -0.026 17843 2215 1 10 . 1 1 39 39 VAL N N 39 122.396 122.396 121.213 1.183 17843 2216 1 10 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.381 0.591 17843 2217 1 10 . 1 1 39 39 VAL C C 39 176.527 176.527 176.349 0.178 17843 2218 1 10 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.791 2.760 17843 2219 1 10 . 1 1 39 39 VAL H H 39 8.821 8.821 8.535 0.286 17843 2220 1 10 . 1 1 40 40 GLU N N 40 117.771 117.771 118.667 -0.896 17843 2221 1 10 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.750 0.171 17843 2222 1 10 . 1 1 40 40 GLU C C 40 179.574 179.574 178.628 0.946 17843 2223 1 10 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.315 0.779 17843 2224 1 10 . 1 1 40 40 GLU H H 40 8.596 8.596 8.411 0.185 17843 2225 1 10 . 1 1 41 41 GLY N N 41 108.656 108.656 108.322 0.334 17843 2226 1 10 . 1 1 41 41 GLY C C 41 176.264 176.264 175.473 0.791 17843 2227 1 10 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.707 -1.128 17843 2228 1 10 . 1 1 41 41 GLY H H 41 7.945 7.945 7.867 0.078 17843 2229 1 10 . 1 1 42 42 VAL N N 42 121.716 121.716 121.490 0.226 17843 2230 1 10 . 1 1 42 42 VAL C C 42 177.273 177.273 177.624 -0.351 17843 2231 1 10 . 1 1 42 42 VAL CA C 42 66.732 66.732 66.026 0.706 17843 2232 1 10 . 1 1 42 42 VAL H H 42 7.809 7.809 7.511 0.298 17843 2233 1 10 . 1 1 43 43 TRP N N 43 118.909 118.909 119.833 -0.924 17843 2234 1 10 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.412 -0.465 17843 2235 1 10 . 1 1 43 43 TRP C C 43 178.781 178.781 178.926 -0.145 17843 2236 1 10 . 1 1 43 43 TRP CA C 43 59.604 59.604 59.545 0.059 17843 2237 1 10 . 1 1 43 43 TRP H H 43 7.498 7.498 7.911 -0.413 17843 2238 1 10 . 1 1 44 44 THR N N 44 116.154 116.154 116.738 -0.584 17843 2239 1 10 . 1 1 44 44 THR HA H 44 3.985 3.985 4.112 -0.128 17843 2240 1 10 . 1 1 44 44 THR C C 44 177.639 177.639 176.952 0.687 17843 2241 1 10 . 1 1 44 44 THR CA C 44 66.629 66.629 66.918 -0.290 17843 2242 1 10 . 1 1 44 44 THR H H 44 8.157 8.157 8.228 -0.071 17843 2243 1 10 . 1 1 45 45 TYR N N 45 121.630 121.630 120.823 0.807 17843 2244 1 10 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.290 -0.062 17843 2245 1 10 . 1 1 45 45 TYR H H 45 8.066 8.066 8.207 -0.141 17843 2246 1 10 . 1 1 46 46 LYS N N 46 119.502 119.502 120.717 -1.215 17843 2247 1 10 . 1 1 46 46 LYS CA C 46 59.619 59.619 59.787 -0.168 17843 2248 1 10 . 1 1 46 46 LYS H H 46 8.422 8.422 8.368 0.054 17843 2249 1 10 . 1 1 47 47 ASP N N 47 117.441 117.441 119.259 -1.818 17843 2250 1 10 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.301 -0.290 17843 2251 1 10 . 1 1 47 47 ASP C C 47 174.917 174.917 178.653 -3.736 17843 2252 1 10 . 1 1 47 47 ASP H H 47 7.446 7.446 7.978 -0.532 17843 2253 1 10 . 1 1 48 48 GLU N N 48 121.387 121.387 119.513 1.874 17843 2254 1 10 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.909 0.050 17843 2255 1 10 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.510 1.387 17843 2256 1 10 . 1 1 48 48 GLU H H 48 7.718 7.718 7.375 0.343 17843 2257 1 10 . 1 1 50 50 LYS C C 50 176.922 176.922 178.733 -1.811 17843 2258 1 10 . 1 1 51 51 THR N N 51 110.556 110.556 116.148 -5.592 17843 2259 1 10 . 1 1 51 51 THR HA H 51 4.164 4.164 4.019 0.145 17843 2260 1 10 . 1 1 51 51 THR C C 51 175.429 175.429 176.872 -1.443 17843 2261 1 10 . 1 1 51 51 THR H H 51 7.510 7.510 7.431 0.079 17843 2262 1 10 . 1 1 52 52 PHE N N 52 121.424 121.424 120.636 0.788 17843 2263 1 10 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.645 -0.903 17843 2264 1 10 . 1 1 52 52 PHE C C 52 177.914 177.914 178.633 -0.719 17843 2265 1 10 . 1 1 52 52 PHE H H 52 7.574 7.574 7.766 -0.192 17843 2266 1 10 . 1 1 53 53 THR N N 53 114.075 114.075 116.062 -1.987 17843 2267 1 10 . 1 1 53 53 THR C C 53 177.639 177.639 176.793 0.846 17843 2268 1 10 . 1 1 53 53 THR H H 53 7.897 7.897 8.353 -0.456 17843 2269 1 10 . 1 1 54 54 VAL N N 54 122.414 122.414 120.288 2.126 17843 2270 1 10 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.778 0.463 17843 2271 1 10 . 1 1 54 54 VAL C C 54 179.601 179.601 177.403 2.198 17843 2272 1 10 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.442 -2.774 17843 2273 1 10 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.048 0.768 17843 2274 1 10 . 1 1 54 54 VAL H H 54 8.069 8.069 7.949 0.120 17843 2275 1 10 . 1 1 55 55 THR N N 55 118.343 118.343 110.115 8.228 17843 2276 1 10 . 1 1 55 55 THR HA H 55 4.126 4.126 4.273 -0.147 17843 2277 1 10 . 1 1 55 55 THR C C 55 173.658 173.658 175.466 -1.808 17843 2278 1 10 . 1 1 55 55 THR CA C 55 61.819 61.819 63.661 -1.842 17843 2279 1 10 . 1 1 55 55 THR CB C 55 70.154 70.154 69.314 0.840 17843 2280 1 10 . 1 1 55 55 THR H H 55 8.189 8.189 7.936 0.253 17843 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 46 3.237 -0.495 3.234 17843 2 1 1 "Average Difference" HA 39 0.276 0.085 0.266 17843 3 1 1 "Average Difference" C 42 1.360 0.193 1.362 17843 4 1 1 "Average Difference" CA 38 1.490 0.525 1.413 17843 5 1 1 "Average Difference" CB 17 1.462 -0.657 1.346 17843 6 1 1 "Average Difference" HN 46 0.385 -0.034 0.388 17843 7 1 2 "Average Difference" N 46 3.127 -0.441 3.130 17843 8 1 2 "Average Difference" HA 39 0.328 0.026 0.331 17843 9 1 2 "Average Difference" C 42 1.136 0.268 1.117 17843 10 1 2 "Average Difference" CA 38 1.369 0.408 1.325 17843 11 1 2 "Average Difference" CB 17 1.615 -0.819 1.434 17843 12 1 2 "Average Difference" HN 46 0.493 0.007 0.499 17843 13 1 3 "Average Difference" N 46 3.279 -0.097 3.314 17843 14 1 3 "Average Difference" HA 39 0.253 0.031 0.254 17843 15 1 3 "Average Difference" C 42 1.147 0.156 1.151 17843 16 1 3 "Average Difference" CA 38 1.340 0.518 1.252 17843 17 1 3 "Average Difference" CB 17 1.502 -0.637 1.403 17843 18 1 3 "Average Difference" HN 46 0.445 0.022 0.450 17843 19 1 4 "Average Difference" N 46 3.163 -0.304 3.184 17843 20 1 4 "Average Difference" HA 39 0.376 -0.023 0.380 17843 21 1 4 "Average Difference" C 42 1.207 0.187 1.207 17843 22 1 4 "Average Difference" CA 38 1.408 0.565 1.307 17843 23 1 4 "Average Difference" CB 17 1.283 -0.695 1.112 17843 24 1 4 "Average Difference" HN 46 0.411 -0.034 0.414 17843 25 1 5 "Average Difference" N 46 3.379 -0.139 3.414 17843 26 1 5 "Average Difference" HA 39 0.249 0.070 0.243 17843 27 1 5 "Average Difference" C 42 1.266 -0.002 1.282 17843 28 1 5 "Average Difference" CA 38 1.260 0.333 1.232 17843 29 1 5 "Average Difference" CB 17 1.256 -0.434 1.215 17843 30 1 5 "Average Difference" HN 46 0.495 -0.008 0.500 17843 31 1 6 "Average Difference" N 46 3.639 -0.585 3.631 17843 32 1 6 "Average Difference" HA 39 0.260 0.023 0.263 17843 33 1 6 "Average Difference" C 42 1.283 0.292 1.265 17843 34 1 6 "Average Difference" CA 38 1.614 0.712 1.468 17843 35 1 6 "Average Difference" CB 17 1.317 -0.626 1.194 17843 36 1 6 "Average Difference" HN 46 0.409 -0.028 0.412 17843 37 1 7 "Average Difference" N 46 3.362 -0.411 3.374 17843 38 1 7 "Average Difference" HA 39 0.276 0.040 0.277 17843 39 1 7 "Average Difference" C 42 1.189 0.234 1.180 17843 40 1 7 "Average Difference" CA 38 1.320 0.498 1.238 17843 41 1 7 "Average Difference" CB 17 1.440 -0.609 1.345 17843 42 1 7 "Average Difference" HN 46 0.402 0.022 0.405 17843 43 1 8 "Average Difference" N 46 2.891 0.125 2.921 17843 44 1 8 "Average Difference" HA 39 0.311 0.046 0.312 17843 45 1 8 "Average Difference" C 42 1.256 0.157 1.261 17843 46 1 8 "Average Difference" CA 38 1.315 0.310 1.295 17843 47 1 8 "Average Difference" CB 17 1.312 -0.490 1.254 17843 48 1 8 "Average Difference" HN 46 0.350 0.019 0.354 17843 49 1 9 "Average Difference" N 46 3.065 -0.691 3.019 17843 50 1 9 "Average Difference" HA 39 0.343 0.050 0.344 17843 51 1 9 "Average Difference" C 42 1.086 0.205 1.079 17843 52 1 9 "Average Difference" CA 38 1.418 0.520 1.337 17843 53 1 9 "Average Difference" CB 17 1.572 -0.895 1.332 17843 54 1 9 "Average Difference" HN 46 0.434 -0.010 0.439 17843 55 1 10 "Average Difference" N 46 3.400 -0.176 3.433 17843 56 1 10 "Average Difference" HA 39 0.316 0.078 0.310 17843 57 1 10 "Average Difference" C 42 1.122 0.243 1.109 17843 58 1 10 "Average Difference" CA 38 1.275 0.426 1.218 17843 59 1 10 "Average Difference" CB 17 1.317 -0.589 1.215 17843 60 1 10 "Average Difference" HN 46 0.421 0.068 0.420 17843 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 17843 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 THR N N 2 128.406 128.406 117.471 10.935 17843 2 1 . 1 1 2 2 THR HA H 2 4.338 4.338 4.180 0.158 17843 3 1 . 1 1 2 2 THR C C 2 176.278 176.278 175.195 1.083 17843 4 1 . 1 1 2 2 THR H H 2 7.964 7.964 8.270 -0.306 17843 5 1 . 1 1 3 3 TYR N N 3 124.128 124.128 120.194 3.934 17843 6 1 . 1 1 3 3 TYR HA H 3 4.202 4.202 4.381 -0.179 17843 7 1 . 1 1 3 3 TYR C C 3 175.400 175.400 176.341 -0.941 17843 8 1 . 1 1 3 3 TYR CA C 3 58.072 58.072 59.035 -0.964 17843 9 1 . 1 1 3 3 TYR CB C 3 38.846 38.846 38.081 0.765 17843 10 1 . 1 1 3 3 TYR H H 3 8.369 8.369 8.113 0.256 17843 11 1 . 1 1 4 4 LYS N N 4 123.685 123.685 118.011 5.674 17843 12 1 . 1 1 4 4 LYS HA H 4 4.113 4.113 3.832 0.281 17843 13 1 . 1 1 4 4 LYS C C 4 175.956 175.956 176.731 -0.775 17843 14 1 . 1 1 4 4 LYS CA C 4 56.135 56.135 57.090 -0.955 17843 15 1 . 1 1 4 4 LYS CB C 4 32.758 32.758 32.172 0.586 17843 16 1 . 1 1 4 4 LYS H H 4 8.012 8.012 7.538 0.474 17843 17 1 . 1 1 5 5 LEU N N 5 122.275 122.275 119.137 3.138 17843 18 1 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.166 0.010 17843 19 1 . 1 1 5 5 LEU C C 5 176.937 176.937 176.764 0.173 17843 20 1 . 1 1 5 5 LEU CA C 5 55.520 55.520 54.898 0.622 17843 21 1 . 1 1 5 5 LEU CB C 5 42.008 42.008 42.729 -0.721 17843 22 1 . 1 1 5 5 LEU H H 5 7.929 7.929 7.524 0.405 17843 23 1 . 1 1 6 6 ILE N N 6 123.581 123.581 120.942 2.639 17843 24 1 . 1 1 6 6 ILE HA H 6 4.215 4.215 4.067 0.148 17843 25 1 . 1 1 6 6 ILE C C 6 176.732 176.732 176.053 0.679 17843 26 1 . 1 1 6 6 ILE CA C 6 60.992 60.992 60.733 0.259 17843 27 1 . 1 1 6 6 ILE CB C 6 38.612 38.612 38.274 0.338 17843 28 1 . 1 1 6 6 ILE H H 6 8.116 8.116 7.819 0.297 17843 29 1 . 1 1 7 7 LEU N N 7 125.222 125.222 127.757 -2.535 17843 30 1 . 1 1 7 7 LEU HA H 7 4.112 4.112 4.261 -0.149 17843 31 1 . 1 1 7 7 LEU C C 7 177.405 177.405 177.129 0.276 17843 32 1 . 1 1 7 7 LEU CA C 7 55.541 55.541 56.193 -0.652 17843 33 1 . 1 1 7 7 LEU CB C 7 42.593 42.593 42.326 0.267 17843 34 1 . 1 1 7 7 LEU H H 7 8.034 8.034 8.552 -0.517 17843 35 1 . 1 1 8 8 ASN N N 8 118.212 118.212 117.448 0.764 17843 36 1 . 1 1 8 8 ASN HA H 8 4.202 4.202 4.670 -0.467 17843 37 1 . 1 1 8 8 ASN C C 8 174.463 174.463 176.530 -2.067 17843 38 1 . 1 1 8 8 ASN CA C 8 53.073 53.073 53.486 -0.413 17843 39 1 . 1 1 8 8 ASN CB C 8 38.788 38.788 38.781 0.007 17843 40 1 . 1 1 8 8 ASN H H 8 8.127 8.127 8.043 0.083 17843 41 1 . 1 1 9 9 LEU N N 9 122.727 122.727 126.080 -3.353 17843 42 1 . 1 1 9 9 LEU HA H 9 4.227 4.227 4.039 0.188 17843 43 1 . 1 1 9 9 LEU C C 9 177.595 177.595 178.061 -0.466 17843 44 1 . 1 1 9 9 LEU CA C 9 58.609 58.609 57.821 0.788 17843 45 1 . 1 1 9 9 LEU H H 9 8.204 8.204 8.506 -0.302 17843 46 1 . 1 1 10 10 LYS N N 10 118.199 118.199 118.951 -0.752 17843 47 1 . 1 1 10 10 LYS HA H 10 4.011 4.011 3.921 0.090 17843 48 1 . 1 1 10 10 LYS H H 10 7.952 7.952 8.143 -0.191 17843 49 1 . 1 1 11 11 GLN N N 11 117.600 117.600 118.084 -0.484 17843 50 1 . 1 1 11 11 GLN HA H 11 3.984 3.984 4.191 -0.206 17843 51 1 . 1 1 11 11 GLN C C 11 179.161 179.161 178.281 0.880 17843 52 1 . 1 1 11 11 GLN CA C 11 56.936 56.936 58.636 -1.700 17843 53 1 . 1 1 11 11 GLN CB C 11 29.889 29.889 28.616 1.273 17843 54 1 . 1 1 11 11 GLN H H 11 7.586 7.586 8.245 -0.659 17843 55 1 . 1 1 12 12 ALA N N 12 122.858 122.858 122.684 0.173 17843 56 1 . 1 1 12 12 ALA HA H 12 4.011 4.011 4.080 -0.069 17843 57 1 . 1 1 12 12 ALA C C 12 179.161 179.161 179.244 -0.083 17843 58 1 . 1 1 12 12 ALA CA C 12 56.000 56.000 55.225 0.775 17843 59 1 . 1 1 12 12 ALA H H 12 8.285 8.285 8.259 0.026 17843 60 1 . 1 1 13 13 LYS N N 13 116.783 116.783 118.872 -2.089 17843 61 1 . 1 1 13 13 LYS HA H 13 3.997 3.997 3.966 0.031 17843 62 1 . 1 1 13 13 LYS C C 13 177.669 177.669 178.718 -1.049 17843 63 1 . 1 1 13 13 LYS CA C 13 59.502 59.502 59.715 -0.213 17843 64 1 . 1 1 13 13 LYS H H 13 8.086 8.086 8.219 -0.133 17843 65 1 . 1 1 14 14 GLU N N 14 116.603 116.603 119.484 -2.881 17843 66 1 . 1 1 14 14 GLU HA H 14 4.023 4.023 4.012 0.011 17843 67 1 . 1 1 14 14 GLU C C 14 180.113 180.113 179.185 0.928 17843 68 1 . 1 1 14 14 GLU CA C 14 58.755 58.755 59.527 -0.771 17843 69 1 . 1 1 14 14 GLU CB C 14 29.831 29.831 29.478 0.353 17843 70 1 . 1 1 14 14 GLU H H 14 7.533 7.533 7.972 -0.439 17843 71 1 . 1 1 15 15 GLU N N 15 119.346 119.346 119.335 0.011 17843 72 1 . 1 1 15 15 GLU HA H 15 4.036 4.036 4.096 -0.060 17843 73 1 . 1 1 15 15 GLU C C 15 178.283 178.283 178.741 -0.458 17843 74 1 . 1 1 15 15 GLU CA C 15 57.054 57.054 58.839 -1.785 17843 75 1 . 1 1 15 15 GLU CB C 15 29.948 29.948 29.277 0.671 17843 76 1 . 1 1 15 15 GLU H H 15 8.284 8.284 8.043 0.241 17843 77 1 . 1 1 16 16 ALA N N 16 122.070 122.070 122.387 -0.317 17843 78 1 . 1 1 16 16 ALA HA H 16 4.023 4.023 4.128 -0.105 17843 79 1 . 1 1 16 16 ALA CA C 16 55.228 55.228 55.074 0.154 17843 80 1 . 1 1 16 16 ALA H H 16 8.338 8.338 7.888 0.451 17843 81 1 . 1 1 18 18 LYS C C 18 178.327 178.327 178.847 -0.520 17843 82 1 . 1 1 18 18 LYS CA C 18 57.580 57.580 60.148 -2.568 17843 83 1 . 1 1 18 18 LYS CB C 18 32.465 32.465 32.139 0.326 17843 84 1 . 1 1 19 19 GLU N N 19 118.876 118.876 119.021 -0.145 17843 85 1 . 1 1 19 19 GLU HA H 19 4.164 4.164 4.170 -0.007 17843 86 1 . 1 1 19 19 GLU C C 19 178.210 178.210 179.189 -0.979 17843 87 1 . 1 1 19 19 GLU CA C 19 57.816 57.816 58.929 -1.112 17843 88 1 . 1 1 19 19 GLU CB C 19 29.597 29.597 29.446 0.150 17843 89 1 . 1 1 19 19 GLU H H 19 8.187 8.187 7.816 0.371 17843 90 1 . 1 1 20 20 LEU N N 20 120.207 120.207 120.809 -0.602 17843 91 1 . 1 1 20 20 LEU HA H 20 4.100 4.100 4.034 0.066 17843 92 1 . 1 1 20 20 LEU C C 20 178.825 178.825 178.944 -0.119 17843 93 1 . 1 1 20 20 LEU CA C 20 57.555 57.555 58.039 -0.484 17843 94 1 . 1 1 20 20 LEU H H 20 7.957 7.957 8.030 -0.073 17843 95 1 . 1 1 21 21 VAL N N 21 122.396 122.396 119.833 2.563 17843 96 1 . 1 1 21 21 VAL C C 21 177.830 177.830 178.046 -0.216 17843 97 1 . 1 1 21 21 VAL H H 21 8.807 8.807 8.137 0.670 17843 98 1 . 1 1 22 22 ASP N N 22 122.142 122.142 120.181 1.961 17843 99 1 . 1 1 22 22 ASP HA H 22 4.190 4.190 4.431 -0.241 17843 100 1 . 1 1 22 22 ASP H H 22 8.146 8.146 7.989 0.157 17843 101 1 . 1 1 23 23 ALA C C 23 177.615 177.615 178.273 -0.658 17843 102 1 . 1 1 24 24 GLY N N 24 108.124 108.124 106.284 1.840 17843 103 1 . 1 1 24 24 GLY C C 24 174.273 174.273 174.497 -0.224 17843 104 1 . 1 1 24 24 GLY CA C 24 45.228 45.228 44.924 0.304 17843 105 1 . 1 1 24 24 GLY H H 24 8.015 8.015 7.746 0.269 17843 106 1 . 1 1 25 25 ILE N N 25 118.141 118.141 121.927 -3.786 17843 107 1 . 1 1 25 25 ILE HA H 25 3.972 3.972 4.237 -0.265 17843 108 1 . 1 1 25 25 ILE C C 25 175.810 175.810 175.293 0.517 17843 109 1 . 1 1 25 25 ILE CA C 25 58.185 58.185 59.574 -1.389 17843 110 1 . 1 1 25 25 ILE H H 25 7.776 7.776 8.138 -0.362 17843 111 1 . 1 1 26 26 ALA N N 26 127.540 127.540 130.441 -2.901 17843 112 1 . 1 1 26 26 ALA HA H 26 4.087 4.087 4.163 -0.076 17843 113 1 . 1 1 26 26 ALA C C 26 177.683 177.683 179.062 -1.379 17843 114 1 . 1 1 26 26 ALA CA C 26 54.774 54.774 55.240 -0.466 17843 115 1 . 1 1 26 26 ALA CB C 26 18.824 18.824 18.775 0.049 17843 116 1 . 1 1 26 26 ALA H H 26 8.316 8.316 8.417 -0.100 17843 117 1 . 1 1 27 27 GLU N N 27 120.829 120.829 118.511 2.318 17843 118 1 . 1 1 27 27 GLU HA H 27 4.138 4.138 4.098 0.040 17843 119 1 . 1 1 27 27 GLU C C 27 176.322 176.322 178.458 -2.136 17843 120 1 . 1 1 27 27 GLU CA C 27 57.116 57.116 59.772 -2.656 17843 121 1 . 1 1 27 27 GLU H H 27 8.188 8.188 8.642 -0.454 17843 122 1 . 1 1 28 28 LYS N N 28 116.307 116.307 117.185 -0.878 17843 123 1 . 1 1 28 28 LYS HA H 28 3.908 3.908 4.148 -0.240 17843 124 1 . 1 1 28 28 LYS C C 28 177.464 177.464 178.747 -1.283 17843 125 1 . 1 1 28 28 LYS H H 28 8.018 8.018 8.054 -0.036 17843 126 1 . 1 1 29 29 TYR N N 29 117.013 117.013 119.860 -2.847 17843 127 1 . 1 1 29 29 TYR C C 29 177.595 177.595 176.477 1.118 17843 128 1 . 1 1 29 29 TYR CA C 29 59.629 59.629 61.122 -1.493 17843 129 1 . 1 1 29 29 TYR CB C 29 38.144 38.144 38.093 0.051 17843 130 1 . 1 1 29 29 TYR H H 29 7.291 7.291 7.865 -0.574 17843 131 1 . 1 1 30 30 PHE N N 30 118.973 118.973 115.988 2.985 17843 132 1 . 1 1 30 30 PHE HA H 30 4.087 4.087 4.356 -0.269 17843 133 1 . 1 1 30 30 PHE C C 30 177.083 177.083 176.529 0.554 17843 134 1 . 1 1 30 30 PHE CA C 30 57.933 57.933 59.800 -1.866 17843 135 1 . 1 1 30 30 PHE CB C 30 45.052 45.052 40.061 4.991 17843 136 1 . 1 1 30 30 PHE H H 30 7.957 7.957 7.611 0.346 17843 137 1 . 1 1 31 31 LYS N N 31 118.711 118.711 118.564 0.147 17843 138 1 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.113 -0.102 17843 139 1 . 1 1 31 31 LYS C C 31 177.449 177.449 177.972 -0.523 17843 140 1 . 1 1 31 31 LYS CA C 31 58.843 58.843 58.629 0.214 17843 141 1 . 1 1 31 31 LYS H H 31 7.863 7.863 7.933 -0.070 17843 142 1 . 1 1 32 32 LEU N N 32 117.926 117.926 120.861 -2.935 17843 143 1 . 1 1 32 32 LEU HA H 32 3.818 3.818 3.887 -0.069 17843 144 1 . 1 1 32 32 LEU CA C 32 57.112 57.112 57.688 -0.576 17843 145 1 . 1 1 32 32 LEU H H 32 7.297 7.297 7.540 -0.243 17843 146 1 . 1 1 33 33 ILE N N 33 118.783 118.783 118.322 0.461 17843 147 1 . 1 1 33 33 ILE HA H 33 3.985 3.985 3.852 0.133 17843 148 1 . 1 1 33 33 ILE CA C 33 61.814 61.814 63.156 -1.342 17843 149 1 . 1 1 33 33 ILE H H 33 7.709 7.709 7.723 -0.014 17843 150 1 . 1 1 35 35 ASN C C 35 175.400 175.400 174.651 0.749 17843 151 1 . 1 1 35 35 ASN CA C 35 52.286 52.286 52.529 -0.243 17843 152 1 . 1 1 35 35 ASN CB C 35 38.905 38.905 38.673 0.232 17843 153 1 . 1 1 36 36 ALA N N 36 124.207 124.207 122.834 1.373 17843 154 1 . 1 1 36 36 ALA HA H 36 4.957 4.957 4.349 0.608 17843 155 1 . 1 1 36 36 ALA CA C 36 53.501 53.501 52.686 0.815 17843 156 1 . 1 1 36 36 ALA H H 36 7.292 7.292 7.428 -0.136 17843 157 1 . 1 1 37 37 LYS C C 37 176.761 176.761 176.088 0.673 17843 158 1 . 1 1 37 37 LYS CA C 37 56.292 56.292 57.020 -0.729 17843 159 1 . 1 1 38 38 THR N N 38 106.253 106.253 109.319 -3.066 17843 160 1 . 1 1 38 38 THR HA H 38 4.407 4.407 4.370 0.037 17843 161 1 . 1 1 38 38 THR C C 38 174.112 174.112 174.548 -0.436 17843 162 1 . 1 1 38 38 THR H H 38 7.273 7.273 7.327 -0.054 17843 163 1 . 1 1 39 39 VAL N N 39 122.396 122.396 120.549 1.847 17843 164 1 . 1 1 39 39 VAL HA H 39 3.972 3.972 3.616 0.356 17843 165 1 . 1 1 39 39 VAL C C 39 176.527 176.527 176.574 -0.047 17843 166 1 . 1 1 39 39 VAL CA C 39 67.551 67.551 64.731 2.821 17843 167 1 . 1 1 39 39 VAL H H 39 8.821 8.821 8.544 0.277 17843 168 1 . 1 1 40 40 GLU N N 40 117.771 117.771 119.657 -1.886 17843 169 1 . 1 1 40 40 GLU HA H 40 3.921 3.921 3.889 0.032 17843 170 1 . 1 1 40 40 GLU C C 40 179.574 179.574 178.697 0.877 17843 171 1 . 1 1 40 40 GLU CA C 40 60.094 60.094 59.351 0.743 17843 172 1 . 1 1 40 40 GLU H H 40 8.596 8.596 8.381 0.215 17843 173 1 . 1 1 41 41 GLY N N 41 108.656 108.656 108.288 0.368 17843 174 1 . 1 1 41 41 GLY C C 41 176.264 176.264 175.443 0.821 17843 175 1 . 1 1 41 41 GLY CA C 41 45.579 45.579 46.689 -1.110 17843 176 1 . 1 1 41 41 GLY H H 41 7.945 7.945 7.921 0.024 17843 177 1 . 1 1 42 42 VAL N N 42 121.716 121.716 121.452 0.264 17843 178 1 . 1 1 42 42 VAL C C 42 177.273 177.273 177.479 -0.206 17843 179 1 . 1 1 42 42 VAL CA C 42 66.732 66.732 65.962 0.770 17843 180 1 . 1 1 42 42 VAL H H 42 7.809 7.809 7.411 0.398 17843 181 1 . 1 1 43 43 TRP N N 43 118.909 118.909 120.389 -1.480 17843 182 1 . 1 1 43 43 TRP HA H 43 3.947 3.947 4.368 -0.421 17843 183 1 . 1 1 43 43 TRP C C 43 178.781 178.781 178.517 0.264 17843 184 1 . 1 1 43 43 TRP CA C 43 59.604 59.604 60.135 -0.531 17843 185 1 . 1 1 43 43 TRP H H 43 7.498 7.498 8.045 -0.547 17843 186 1 . 1 1 44 44 THR N N 44 116.154 116.154 116.266 -0.112 17843 187 1 . 1 1 44 44 THR HA H 44 3.985 3.985 4.009 -0.024 17843 188 1 . 1 1 44 44 THR C C 44 177.639 177.639 176.797 0.842 17843 189 1 . 1 1 44 44 THR CA C 44 66.629 66.629 66.811 -0.182 17843 190 1 . 1 1 44 44 THR H H 44 8.157 8.157 8.029 0.128 17843 191 1 . 1 1 45 45 TYR N N 45 121.630 121.630 120.343 1.287 17843 192 1 . 1 1 45 45 TYR HA H 45 4.228 4.228 4.265 -0.037 17843 193 1 . 1 1 45 45 TYR H H 45 8.066 8.066 8.017 0.049 17843 194 1 . 1 1 46 46 LYS N N 46 119.502 119.502 120.384 -0.882 17843 195 1 . 1 1 46 46 LYS CA C 46 59.619 59.619 59.790 -0.172 17843 196 1 . 1 1 46 46 LYS H H 46 8.422 8.422 7.999 0.423 17843 197 1 . 1 1 47 47 ASP N N 47 117.441 117.441 118.934 -1.493 17843 198 1 . 1 1 47 47 ASP HA H 47 4.011 4.011 4.402 -0.391 17843 199 1 . 1 1 47 47 ASP C C 47 174.917 174.917 178.600 -3.683 17843 200 1 . 1 1 47 47 ASP H H 47 7.446 7.446 7.851 -0.405 17843 201 1 . 1 1 48 48 GLU N N 48 121.387 121.387 119.917 1.470 17843 202 1 . 1 1 48 48 GLU HA H 48 3.959 3.959 3.950 0.009 17843 203 1 . 1 1 48 48 GLU CA C 48 59.897 59.897 58.581 1.316 17843 204 1 . 1 1 48 48 GLU H H 48 7.718 7.718 7.688 0.030 17843 205 1 . 1 1 50 50 LYS C C 50 176.922 176.922 178.711 -1.789 17843 206 1 . 1 1 51 51 THR N N 51 110.556 110.556 115.254 -4.698 17843 207 1 . 1 1 51 51 THR HA H 51 4.164 4.164 4.099 0.065 17843 208 1 . 1 1 51 51 THR C C 51 175.429 175.429 176.348 -0.919 17843 209 1 . 1 1 51 51 THR H H 51 7.510 7.510 7.609 -0.099 17843 210 1 . 1 1 52 52 PHE N N 52 121.424 121.424 120.990 0.434 17843 211 1 . 1 1 52 52 PHE HA H 52 3.742 3.742 4.541 -0.799 17843 212 1 . 1 1 52 52 PHE C C 52 177.914 177.914 177.923 -0.009 17843 213 1 . 1 1 52 52 PHE H H 52 7.574 7.574 7.908 -0.334 17843 214 1 . 1 1 53 53 THR N N 53 114.075 114.075 113.997 0.077 17843 215 1 . 1 1 53 53 THR C C 53 177.639 177.639 176.078 1.561 17843 216 1 . 1 1 53 53 THR H H 53 7.897 7.897 8.094 -0.197 17843 217 1 . 1 1 54 54 VAL N N 54 122.414 122.414 121.057 1.357 17843 218 1 . 1 1 54 54 VAL HA H 54 4.241 4.241 3.834 0.407 17843 219 1 . 1 1 54 54 VAL C C 54 179.601 179.601 177.243 2.358 17843 220 1 . 1 1 54 54 VAL CA C 54 62.668 62.668 65.016 -2.348 17843 221 1 . 1 1 54 54 VAL CB C 54 32.816 32.816 32.042 0.774 17843 222 1 . 1 1 54 54 VAL H H 54 8.069 8.069 7.784 0.285 17843 223 1 . 1 1 55 55 THR N N 55 118.343 118.343 111.457 6.886 17843 224 1 . 1 1 55 55 THR HA H 55 4.126 4.126 4.272 -0.146 17843 225 1 . 1 1 55 55 THR C C 55 173.658 173.658 175.163 -1.505 17843 226 1 . 1 1 55 55 THR CA C 55 61.819 61.819 62.972 -1.153 17843 227 1 . 1 1 55 55 THR CB C 55 70.154 70.154 69.299 0.855 17843 228 1 . 1 1 55 55 THR H H 55 8.189 8.189 7.923 0.266 17843 stop_ save_