data_25969 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25969 _Entry.PDB_ID 2NBA 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 25969 _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 7 7 ARG N N 7 122.494 122.494 122.899 -0.405 25969 2 1 1 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.452 -0.102 25969 3 1 1 . 1 1 7 7 ARG C C 7 177.037 177.037 174.953 2.084 25969 4 1 1 . 1 1 7 7 ARG CA C 7 56.724 56.724 56.344 0.380 25969 5 1 1 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.319 -0.438 25969 6 1 1 . 1 1 7 7 ARG H H 7 8.649 8.649 8.659 -0.010 25969 7 1 1 . 1 1 8 8 SER N N 8 117.535 117.535 118.159 -0.624 25969 8 1 1 . 1 1 8 8 SER HA H 8 4.384 4.384 4.323 0.061 25969 9 1 1 . 1 1 8 8 SER C C 8 174.613 174.613 174.563 0.050 25969 10 1 1 . 1 1 8 8 SER CA C 8 59.412 59.412 59.422 -0.010 25969 11 1 1 . 1 1 8 8 SER CB C 8 63.686 63.686 62.613 1.073 25969 12 1 1 . 1 1 8 8 SER H H 8 8.522 8.522 8.142 0.380 25969 13 1 1 . 1 1 9 9 ALA N N 9 126.336 126.336 128.137 -1.801 25969 14 1 1 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.433 0.032 25969 15 1 1 . 1 1 9 9 ALA C C 9 178.349 178.349 178.431 -0.082 25969 16 1 1 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.705 0.362 25969 17 1 1 . 1 1 9 9 ALA CB C 9 18.914 18.914 20.053 -1.139 25969 18 1 1 . 1 1 9 9 ALA H H 9 8.415 8.415 7.672 0.743 25969 19 1 1 . 1 1 10 10 ASN N N 10 121.438 121.438 118.288 3.150 25969 20 1 1 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.713 -0.027 25969 21 1 1 . 1 1 10 10 ASN C C 10 175.571 175.571 175.487 0.084 25969 22 1 1 . 1 1 10 10 ASN CA C 10 53.247 53.247 54.001 -0.754 25969 23 1 1 . 1 1 10 10 ASN CB C 10 39.125 39.125 37.123 2.002 25969 24 1 1 . 1 1 10 10 ASN H H 10 9.263 9.263 9.281 -0.018 25969 25 1 1 . 1 1 11 11 LEU N N 11 125.021 125.021 119.884 5.137 25969 26 1 1 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.825 0.796 25969 27 1 1 . 1 1 11 11 LEU C C 11 178.567 178.567 177.857 0.710 25969 28 1 1 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.381 1.505 25969 29 1 1 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.112 1.148 25969 30 1 1 . 1 1 11 11 LEU H H 11 8.560 8.560 7.877 0.683 25969 31 1 1 . 1 1 12 12 ARG N N 12 117.977 117.977 118.565 -0.588 25969 32 1 1 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.119 0.015 25969 33 1 1 . 1 1 12 12 ARG C C 12 179.350 179.350 178.480 0.870 25969 34 1 1 . 1 1 12 12 ARG CA C 12 60.347 60.347 58.107 2.240 25969 35 1 1 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.562 1.129 25969 36 1 1 . 1 1 12 12 ARG H H 12 8.114 8.114 8.122 -0.008 25969 37 1 1 . 1 1 13 13 ALA N N 13 123.280 123.280 121.657 1.623 25969 38 1 1 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.192 0.021 25969 39 1 1 . 1 1 13 13 ALA C C 13 180.957 180.957 179.524 1.433 25969 40 1 1 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.549 -0.147 25969 41 1 1 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.109 -0.240 25969 42 1 1 . 1 1 13 13 ALA H H 13 7.871 7.871 7.623 0.248 25969 43 1 1 . 1 1 14 14 ALA N N 14 122.111 122.111 120.771 1.340 25969 44 1 1 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.907 -0.202 25969 45 1 1 . 1 1 14 14 ALA C C 14 178.578 178.578 178.820 -0.242 25969 46 1 1 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.394 1.010 25969 47 1 1 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.971 -0.711 25969 48 1 1 . 1 1 14 14 ALA H H 14 7.930 7.930 7.255 0.675 25969 49 1 1 . 1 1 15 15 HIS N N 15 118.502 118.502 117.695 0.807 25969 50 1 1 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.217 -0.441 25969 51 1 1 . 1 1 15 15 HIS C C 15 176.304 176.304 176.964 -0.660 25969 52 1 1 . 1 1 15 15 HIS CA C 15 60.031 60.031 59.975 0.056 25969 53 1 1 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.663 1.708 25969 54 1 1 . 1 1 15 15 HIS H H 15 8.422 8.422 8.695 -0.273 25969 55 1 1 . 1 1 16 16 ALA N N 16 120.116 120.116 119.929 0.187 25969 56 1 1 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.328 -0.474 25969 57 1 1 . 1 1 16 16 ALA C C 16 180.644 180.644 178.792 1.852 25969 58 1 1 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.923 1.548 25969 59 1 1 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.744 -0.942 25969 60 1 1 . 1 1 16 16 ALA H H 16 7.980 7.980 7.561 0.419 25969 61 1 1 . 1 1 17 17 ALA N N 17 121.281 121.281 122.868 -1.587 25969 62 1 1 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.084 0.092 25969 63 1 1 . 1 1 17 17 ALA C C 17 180.122 180.122 179.257 0.865 25969 64 1 1 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.760 -0.291 25969 65 1 1 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.471 1.669 25969 66 1 1 . 1 1 17 17 ALA H H 17 7.465 7.465 7.295 0.170 25969 67 1 1 . 1 1 18 18 LEU N N 18 120.262 120.262 118.286 1.976 25969 68 1 1 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.050 -0.243 25969 69 1 1 . 1 1 18 18 LEU C C 18 178.766 178.766 179.372 -0.606 25969 70 1 1 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.400 1.344 25969 71 1 1 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.855 0.856 25969 72 1 1 . 1 1 18 18 LEU H H 18 8.468 8.468 8.457 0.011 25969 73 1 1 . 1 1 19 19 LEU N N 19 119.078 119.078 121.128 -2.050 25969 74 1 1 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.156 -0.294 25969 75 1 1 . 1 1 19 19 LEU C C 19 179.517 179.517 178.312 1.205 25969 76 1 1 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.281 -0.272 25969 77 1 1 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.137 0.308 25969 78 1 1 . 1 1 19 19 LEU H H 19 8.029 8.029 7.597 0.432 25969 79 1 1 . 1 1 20 20 GLU N N 20 121.499 121.499 119.602 1.897 25969 80 1 1 . 1 1 20 20 GLU HA H 20 4.027 4.027 3.993 0.034 25969 81 1 1 . 1 1 20 20 GLU C C 20 180.289 180.289 179.259 1.030 25969 82 1 1 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.785 0.094 25969 83 1 1 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.452 -0.162 25969 84 1 1 . 1 1 20 20 GLU H H 20 7.895 7.895 8.594 -0.699 25969 85 1 1 . 1 1 21 21 ASN N N 21 119.066 119.066 118.163 0.903 25969 86 1 1 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.700 -0.162 25969 87 1 1 . 1 1 21 21 ASN C C 21 177.368 177.368 177.319 0.049 25969 88 1 1 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.789 0.083 25969 89 1 1 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.609 1.835 25969 90 1 1 . 1 1 21 21 ASN H H 21 8.373 8.373 8.431 -0.058 25969 91 1 1 . 1 1 22 22 ALA N N 22 125.274 125.274 123.946 1.328 25969 92 1 1 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.013 -0.240 25969 93 1 1 . 1 1 22 22 ALA C C 22 179.402 179.402 179.886 -0.484 25969 94 1 1 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.246 0.225 25969 95 1 1 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.562 -0.342 25969 96 1 1 . 1 1 22 22 ALA H H 22 8.886 8.886 8.429 0.457 25969 97 1 1 . 1 1 23 23 ARG N N 23 119.945 119.945 116.875 3.070 25969 98 1 1 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.188 0.009 25969 99 1 1 . 1 1 23 23 ARG C C 23 179.726 179.726 178.190 1.536 25969 100 1 1 . 1 1 23 23 ARG CA C 23 59.812 59.812 59.150 0.662 25969 101 1 1 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.895 -0.204 25969 102 1 1 . 1 1 23 23 ARG H H 23 8.168 8.168 8.296 -0.128 25969 103 1 1 . 1 1 24 24 PHE N N 24 121.222 121.222 120.542 0.680 25969 104 1 1 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.388 -0.021 25969 105 1 1 . 1 1 24 24 PHE C C 24 177.410 177.410 177.945 -0.535 25969 106 1 1 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.659 -0.311 25969 107 1 1 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.108 -1.202 25969 108 1 1 . 1 1 24 24 PHE H H 24 7.658 7.658 7.731 -0.073 25969 109 1 1 . 1 1 25 25 MET N N 25 120.355 120.355 118.617 1.738 25969 110 1 1 . 1 1 25 25 MET HA H 25 4.300 4.300 4.603 -0.303 25969 111 1 1 . 1 1 25 25 MET C C 25 179.371 179.371 178.495 0.876 25969 112 1 1 . 1 1 25 25 MET CA C 25 55.939 55.939 57.126 -1.187 25969 113 1 1 . 1 1 25 25 MET CB C 25 29.424 29.424 31.247 -1.823 25969 114 1 1 . 1 1 25 25 MET H H 25 8.358 8.358 9.068 -0.710 25969 115 1 1 . 1 1 26 26 GLU N N 26 120.164 120.164 119.440 0.724 25969 116 1 1 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.331 0.007 25969 117 1 1 . 1 1 26 26 GLU C C 26 179.934 179.934 179.976 -0.042 25969 118 1 1 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.699 0.354 25969 119 1 1 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.234 0.250 25969 120 1 1 . 1 1 26 26 GLU H H 26 8.441 8.441 8.572 -0.131 25969 121 1 1 . 1 1 27 27 GLN N N 27 121.309 121.309 118.926 2.383 25969 122 1 1 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.256 -0.124 25969 123 1 1 . 1 1 27 27 GLN C C 27 178.307 178.307 178.225 0.082 25969 124 1 1 . 1 1 27 27 GLN CA C 27 58.610 58.610 57.673 0.937 25969 125 1 1 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.754 -0.666 25969 126 1 1 . 1 1 27 27 GLN H H 27 8.001 8.001 8.289 -0.288 25969 127 1 1 . 1 1 28 28 PHE N N 28 124.569 124.569 122.134 2.435 25969 128 1 1 . 1 1 28 28 PHE HA H 28 3.814 3.814 3.993 -0.179 25969 129 1 1 . 1 1 28 28 PHE C C 28 177.717 177.717 177.509 0.208 25969 130 1 1 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.645 0.547 25969 131 1 1 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.038 0.305 25969 132 1 1 . 1 1 28 28 PHE H H 28 8.760 8.760 8.497 0.263 25969 133 1 1 . 1 1 29 29 TYR N N 29 121.726 121.726 119.594 2.132 25969 134 1 1 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.139 -0.344 25969 135 1 1 . 1 1 29 29 TYR C C 29 179.079 179.079 176.804 2.275 25969 136 1 1 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.027 -0.079 25969 137 1 1 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.558 0.149 25969 138 1 1 . 1 1 29 29 TYR H H 29 8.956 8.956 8.315 0.641 25969 139 1 1 . 1 1 30 30 ALA N N 30 121.142 121.142 120.352 0.790 25969 140 1 1 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.094 -0.046 25969 141 1 1 . 1 1 30 30 ALA C C 30 174.781 174.781 178.534 -3.753 25969 142 1 1 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.267 0.603 25969 143 1 1 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.298 -0.429 25969 144 1 1 . 1 1 30 30 ALA H H 30 8.063 8.063 7.708 0.355 25969 145 1 1 . 1 1 31 31 LYS N N 31 114.745 114.745 115.591 -0.846 25969 146 1 1 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.201 -0.013 25969 147 1 1 . 1 1 31 31 LYS C C 31 177.744 177.744 177.280 0.464 25969 148 1 1 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.484 -0.076 25969 149 1 1 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.368 -0.193 25969 150 1 1 . 1 1 31 31 LYS H H 31 7.172 7.172 7.937 -0.765 25969 151 1 1 . 1 1 32 32 LYS N N 32 117.388 117.388 117.076 0.312 25969 152 1 1 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.245 -0.132 25969 153 1 1 . 1 1 32 32 LYS C C 32 177.747 177.747 176.717 1.030 25969 154 1 1 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.232 -0.427 25969 155 1 1 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.425 -0.527 25969 156 1 1 . 1 1 32 32 LYS H H 32 8.154 8.154 7.685 0.469 25969 157 1 1 . 1 1 33 33 GLY N N 33 109.017 109.017 106.170 2.847 25969 158 1 1 . 1 1 33 33 GLY C C 33 171.798 171.798 173.287 -1.489 25969 159 1 1 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.578 0.073 25969 160 1 1 . 1 1 33 33 GLY H H 33 8.945 8.945 8.162 0.783 25969 161 1 1 . 1 1 34 34 SER N N 34 110.165 110.165 114.069 -3.904 25969 162 1 1 . 1 1 34 34 SER HA H 34 4.136 4.136 5.163 -1.027 25969 163 1 1 . 1 1 34 34 SER C C 34 172.862 172.862 173.375 -0.513 25969 164 1 1 . 1 1 34 34 SER CA C 34 56.673 56.673 57.667 -0.994 25969 165 1 1 . 1 1 34 34 SER CB C 34 64.621 64.621 66.183 -1.562 25969 166 1 1 . 1 1 34 34 SER H H 34 6.756 6.756 7.762 -1.006 25969 167 1 1 . 1 1 35 35 PHE N N 35 121.132 121.132 120.960 0.172 25969 168 1 1 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.817 0.297 25969 169 1 1 . 1 1 35 35 PHE C C 35 172.888 172.888 175.566 -2.678 25969 170 1 1 . 1 1 35 35 PHE CA C 35 59.260 59.260 58.576 0.684 25969 171 1 1 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.168 0.320 25969 172 1 1 . 1 1 35 35 PHE H H 35 9.403 9.403 8.892 0.511 25969 173 1 1 . 1 1 36 36 LYS N N 36 114.841 114.841 120.326 -5.485 25969 174 1 1 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.268 0.116 25969 175 1 1 . 1 1 36 36 LYS C C 36 177.118 177.118 177.165 -0.047 25969 176 1 1 . 1 1 36 36 LYS CA C 36 56.272 56.272 57.374 -1.102 25969 177 1 1 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.316 -0.218 25969 178 1 1 . 1 1 36 36 LYS H H 36 8.536 8.536 8.089 0.447 25969 179 1 1 . 1 1 37 37 LEU N N 37 124.789 124.789 120.258 4.531 25969 180 1 1 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.728 -0.278 25969 181 1 1 . 1 1 37 37 LEU C C 37 177.535 177.535 177.077 0.458 25969 182 1 1 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.511 2.231 25969 183 1 1 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.148 2.103 25969 184 1 1 . 1 1 37 37 LEU H H 37 8.503 8.503 8.406 0.097 25969 185 1 1 . 1 1 38 38 THR N N 38 108.556 108.556 112.568 -4.012 25969 186 1 1 . 1 1 38 38 THR HA H 38 4.619 4.619 4.572 0.047 25969 187 1 1 . 1 1 38 38 THR C C 38 173.947 173.947 172.722 1.225 25969 188 1 1 . 1 1 38 38 THR CA C 38 58.944 58.944 60.097 -1.153 25969 189 1 1 . 1 1 38 38 THR CB C 38 71.818 71.818 70.394 1.424 25969 190 1 1 . 1 1 38 38 THR H H 38 8.189 8.189 7.537 0.652 25969 191 1 1 . 1 1 39 39 SER N N 39 110.757 110.757 118.695 -7.938 25969 192 1 1 . 1 1 39 39 SER HA H 39 4.057 4.057 4.325 -0.268 25969 193 1 1 . 1 1 39 39 SER C C 39 174.904 174.904 174.654 0.250 25969 194 1 1 . 1 1 39 39 SER CA C 39 60.938 60.938 59.805 1.133 25969 195 1 1 . 1 1 39 39 SER CB C 39 63.218 63.218 62.943 0.275 25969 196 1 1 . 1 1 39 39 SER H H 39 8.590 8.590 8.454 0.136 25969 197 1 1 . 1 1 40 40 THR N N 40 129.807 129.807 112.010 17.797 25969 198 1 1 . 1 1 40 40 THR HA H 40 4.453 4.453 3.886 0.567 25969 199 1 1 . 1 1 40 40 THR C C 40 174.928 174.928 172.867 2.061 25969 200 1 1 . 1 1 40 40 THR CA C 40 60.351 60.351 62.766 -2.414 25969 201 1 1 . 1 1 40 40 THR CB C 40 69.910 69.910 67.998 1.912 25969 202 1 1 . 1 1 40 40 THR H H 40 7.570 7.570 8.394 -0.824 25969 203 1 1 . 1 1 41 41 LYS N N 41 125.614 125.614 119.573 6.041 25969 204 1 1 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.599 0.113 25969 205 1 1 . 1 1 41 41 LYS C C 41 174.907 174.907 174.372 0.535 25969 206 1 1 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.722 1.016 25969 207 1 1 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.737 1.305 25969 208 1 1 . 1 1 41 41 LYS H H 41 7.425 7.425 7.787 -0.362 25969 209 1 1 . 1 1 42 42 TRP N N 42 124.827 124.827 122.988 1.839 25969 210 1 1 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.123 -0.021 25969 211 1 1 . 1 1 42 42 TRP C C 42 173.384 173.384 174.703 -1.319 25969 212 1 1 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.887 1.515 25969 213 1 1 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.595 0.296 25969 214 1 1 . 1 1 42 42 TRP H H 42 8.590 8.590 8.680 -0.090 25969 215 1 1 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.488 -0.041 25969 216 1 1 . 1 1 43 43 PRO C C 43 174.990 174.990 176.116 -1.126 25969 217 1 1 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.838 -0.287 25969 218 1 1 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.350 -0.255 25969 219 1 1 . 1 1 44 44 GLU N N 44 120.080 120.080 122.914 -2.834 25969 220 1 1 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.168 -0.203 25969 221 1 1 . 1 1 44 44 GLU C C 44 175.699 175.699 176.387 -0.688 25969 222 1 1 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.189 0.017 25969 223 1 1 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.458 -0.876 25969 224 1 1 . 1 1 44 44 GLU H H 44 8.134 8.134 8.505 -0.371 25969 225 1 1 . 1 1 45 45 LEU N N 45 125.972 125.972 124.087 1.885 25969 226 1 1 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.867 -0.904 25969 227 1 1 . 1 1 45 45 LEU C C 45 176.242 176.242 175.775 0.467 25969 228 1 1 . 1 1 45 45 LEU CA C 45 51.731 51.731 51.561 0.170 25969 229 1 1 . 1 1 45 45 LEU CB C 45 41.312 41.312 40.339 0.973 25969 230 1 1 . 1 1 45 45 LEU H H 45 8.363 8.363 8.362 0.001 25969 231 1 1 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.113 0.061 25969 232 1 1 . 1 1 46 46 PRO C C 46 177.702 177.702 176.104 1.598 25969 233 1 1 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.808 0.012 25969 234 1 1 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.927 -0.366 25969 235 1 1 . 1 1 47 47 VAL N N 47 119.474 119.474 117.995 1.479 25969 236 1 1 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.830 0.405 25969 237 1 1 . 1 1 47 47 VAL C C 47 175.178 175.178 175.901 -0.723 25969 238 1 1 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.890 -0.874 25969 239 1 1 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.771 -0.623 25969 240 1 1 . 1 1 47 47 VAL H H 47 7.836 7.836 8.032 -0.196 25969 241 1 1 . 1 1 48 48 LYS N N 48 124.385 124.385 124.151 0.234 25969 242 1 1 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.646 -0.337 25969 243 1 1 . 1 1 48 48 LYS C C 48 176.534 176.534 175.235 1.299 25969 244 1 1 . 1 1 48 48 LYS CA C 48 57.141 57.141 55.789 1.352 25969 245 1 1 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.437 0.395 25969 246 1 1 . 1 1 48 48 LYS H H 48 8.638 8.638 8.287 0.351 25969 247 1 1 . 1 1 49 49 GLU N N 49 118.262 118.262 117.511 0.751 25969 248 1 1 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.608 0.623 25969 249 1 1 . 1 1 49 49 GLU C C 49 174.552 174.552 174.169 0.383 25969 250 1 1 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.953 -0.682 25969 251 1 1 . 1 1 49 49 GLU CB C 49 33.297 33.297 32.567 0.730 25969 252 1 1 . 1 1 49 49 GLU H H 49 7.473 7.473 7.573 -0.100 25969 253 1 1 . 1 1 50 50 ALA N N 50 124.186 124.186 128.920 -4.734 25969 254 1 1 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.604 -0.153 25969 255 1 1 . 1 1 50 50 ALA C C 50 177.890 177.890 176.425 1.465 25969 256 1 1 . 1 1 50 50 ALA CA C 50 53.133 53.133 52.368 0.765 25969 257 1 1 . 1 1 50 50 ALA CB C 50 23.613 23.613 19.791 3.822 25969 258 1 1 . 1 1 50 50 ALA H H 50 8.902 8.902 8.879 0.023 25969 259 1 1 . 1 1 51 51 GLY N N 51 109.041 109.041 104.358 4.683 25969 260 1 1 . 1 1 51 51 GLY C C 51 173.759 173.759 174.469 -0.710 25969 261 1 1 . 1 1 51 51 GLY CA C 51 47.657 47.657 45.623 2.034 25969 262 1 1 . 1 1 51 51 GLY H H 51 9.113 9.113 8.643 0.470 25969 263 1 1 . 1 1 52 52 GLY N N 52 104.272 104.272 106.787 -2.515 25969 264 1 1 . 1 1 52 52 GLY C C 52 174.156 174.156 172.886 1.270 25969 265 1 1 . 1 1 52 52 GLY CA C 52 45.520 45.520 45.513 0.007 25969 266 1 1 . 1 1 52 52 GLY H H 52 8.873 8.873 8.293 0.580 25969 267 1 1 . 1 1 53 53 PHE N N 53 120.324 120.324 119.870 0.454 25969 268 1 1 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.687 -0.530 25969 269 1 1 . 1 1 53 53 PHE C C 53 175.574 175.574 174.228 1.346 25969 270 1 1 . 1 1 53 53 PHE CA C 53 56.940 56.940 54.794 2.146 25969 271 1 1 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.248 -1.869 25969 272 1 1 . 1 1 53 53 PHE H H 53 8.278 8.278 7.594 0.684 25969 273 1 1 . 1 1 54 54 CYS N N 54 116.465 116.465 118.118 -1.653 25969 274 1 1 . 1 1 54 54 CYS HA H 54 5.660 5.660 5.040 0.620 25969 275 1 1 . 1 1 54 54 CYS C C 54 173.092 173.092 173.250 -0.158 25969 276 1 1 . 1 1 54 54 CYS CA C 54 54.997 54.997 56.045 -1.048 25969 277 1 1 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.138 15.358 25969 278 1 1 . 1 1 54 54 CYS H H 54 9.911 9.911 9.264 0.647 25969 279 1 1 . 1 1 55 55 ILE N N 55 119.910 119.910 123.336 -3.426 25969 280 1 1 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.223 0.088 25969 281 1 1 . 1 1 55 55 ILE C C 55 175.366 175.366 175.962 -0.596 25969 282 1 1 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.114 0.366 25969 283 1 1 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.082 -0.383 25969 284 1 1 . 1 1 55 55 ILE H H 55 7.971 7.971 8.463 -0.492 25969 285 1 1 . 1 1 56 56 ARG N N 56 122.445 122.445 120.439 2.006 25969 286 1 1 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.724 -0.103 25969 287 1 1 . 1 1 56 56 ARG C C 56 174.948 174.948 174.176 0.772 25969 288 1 1 . 1 1 56 56 ARG CA C 56 53.467 53.467 53.855 -0.388 25969 289 1 1 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.091 1.319 25969 290 1 1 . 1 1 56 56 ARG H H 56 8.927 8.927 8.129 0.798 25969 291 1 1 . 1 1 57 57 MET N N 57 119.875 119.875 119.485 0.390 25969 292 1 1 . 1 1 57 57 MET HA H 57 4.574 4.574 4.532 0.042 25969 293 1 1 . 1 1 57 57 MET C C 57 175.845 175.845 175.849 -0.004 25969 294 1 1 . 1 1 57 57 MET CA C 57 55.204 55.204 55.261 -0.057 25969 295 1 1 . 1 1 57 57 MET CB C 57 32.162 32.162 34.376 -2.213 25969 296 1 1 . 1 1 57 57 MET H H 57 9.022 9.022 8.541 0.481 25969 297 1 1 . 1 1 58 58 SER N N 58 114.338 114.338 117.361 -3.023 25969 298 1 1 . 1 1 58 58 SER HA H 58 5.138 5.138 4.377 0.761 25969 299 1 1 . 1 1 58 58 SER C C 58 175.866 175.866 174.947 0.919 25969 300 1 1 . 1 1 58 58 SER CA C 58 56.084 56.084 59.553 -3.469 25969 301 1 1 . 1 1 58 58 SER CB C 58 63.977 63.977 63.978 -0.001 25969 302 1 1 . 1 1 58 58 SER H H 58 8.559 8.559 8.627 -0.068 25969 303 1 1 . 1 1 59 59 GLY N N 59 116.880 116.880 108.003 8.877 25969 304 1 1 . 1 1 59 59 GLY C C 59 172.257 172.257 173.702 -1.445 25969 305 1 1 . 1 1 59 59 GLY CA C 59 43.702 43.702 44.976 -1.274 25969 306 1 1 . 1 1 59 59 GLY H H 59 8.919 8.919 7.982 0.937 25969 307 1 1 . 1 1 60 60 GLN N N 60 121.745 121.745 118.973 2.772 25969 308 1 1 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.488 -0.097 25969 309 1 1 . 1 1 60 60 GLN C C 60 177.222 177.222 177.005 0.217 25969 310 1 1 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.255 -0.250 25969 311 1 1 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.257 -0.415 25969 312 1 1 . 1 1 60 60 GLN H H 60 8.575 8.575 8.321 0.254 25969 313 1 1 . 1 1 61 61 ALA N N 61 128.305 128.305 126.131 2.174 25969 314 1 1 . 1 1 61 61 ALA HA H 61 3.399 3.399 4.150 -0.751 25969 315 1 1 . 1 1 61 61 ALA C C 61 178.704 178.704 179.578 -0.874 25969 316 1 1 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.977 0.312 25969 317 1 1 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.896 -1.964 25969 318 1 1 . 1 1 61 61 ALA H H 61 8.576 8.576 8.597 -0.021 25969 319 1 1 . 1 1 62 62 LYS N N 62 114.337 114.337 118.262 -3.925 25969 320 1 1 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.225 -0.049 25969 321 1 1 . 1 1 62 62 LYS C C 62 177.327 177.327 177.164 0.163 25969 322 1 1 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.559 0.517 25969 323 1 1 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.542 -0.247 25969 324 1 1 . 1 1 62 62 LYS H H 62 8.272 8.272 8.104 0.168 25969 325 1 1 . 1 1 63 63 GLY N N 63 107.059 107.059 108.968 -1.909 25969 326 1 1 . 1 1 63 63 GLY C C 63 173.759 173.759 172.691 1.068 25969 327 1 1 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.381 0.404 25969 328 1 1 . 1 1 63 63 GLY H H 63 7.813 7.813 8.212 -0.399 25969 329 1 1 . 1 1 64 64 ILE N N 64 122.496 122.496 122.251 0.245 25969 330 1 1 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.397 0.059 25969 331 1 1 . 1 1 64 64 ILE C C 64 176.033 176.033 176.332 -0.299 25969 332 1 1 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.677 0.866 25969 333 1 1 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.280 -2.308 25969 334 1 1 . 1 1 64 64 ILE H H 64 7.256 7.256 7.504 -0.248 25969 335 1 1 . 1 1 65 65 LEU N N 65 128.858 128.858 124.916 3.942 25969 336 1 1 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.151 0.102 25969 337 1 1 . 1 1 65 65 LEU C C 65 178.203 178.203 175.796 2.407 25969 338 1 1 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.451 -0.913 25969 339 1 1 . 1 1 65 65 LEU CB C 65 42.536 42.536 41.570 0.966 25969 340 1 1 . 1 1 65 65 LEU H H 65 8.417 8.417 8.645 -0.228 25969 341 1 1 . 1 1 66 66 GLU N N 66 119.109 119.109 123.427 -4.318 25969 342 1 1 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.712 -0.471 25969 343 1 1 . 1 1 66 66 GLU C C 66 177.436 177.436 176.644 0.792 25969 344 1 1 . 1 1 66 66 GLU CA C 66 57.258 57.258 55.807 1.451 25969 345 1 1 . 1 1 66 66 GLU CB C 66 29.099 29.099 32.054 -2.955 25969 346 1 1 . 1 1 66 66 GLU H H 66 8.590 8.590 8.395 0.195 25969 347 1 1 . 1 1 67 67 GLY N N 67 108.490 108.490 111.769 -3.279 25969 348 1 1 . 1 1 67 67 GLY C C 67 173.551 173.551 173.387 0.164 25969 349 1 1 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.679 0.442 25969 350 1 1 . 1 1 67 67 GLY H H 67 9.498 9.498 8.889 0.609 25969 351 1 1 . 1 1 68 68 LYS N N 68 117.773 117.773 119.416 -1.643 25969 352 1 1 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.555 0.241 25969 353 1 1 . 1 1 68 68 LYS C C 68 175.637 175.637 174.518 1.119 25969 354 1 1 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.631 -0.362 25969 355 1 1 . 1 1 68 68 LYS CB C 68 35.702 35.702 35.153 0.549 25969 356 1 1 . 1 1 68 68 LYS H H 68 7.604 7.604 7.550 0.054 25969 357 1 1 . 1 1 69 69 PHE N N 69 114.518 114.518 122.648 -8.130 25969 358 1 1 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.479 -0.007 25969 359 1 1 . 1 1 69 69 PHE C C 69 172.591 172.591 174.281 -1.690 25969 360 1 1 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.248 3.829 25969 361 1 1 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.711 0.666 25969 362 1 1 . 1 1 69 69 PHE H H 69 8.439 8.439 8.583 -0.144 25969 363 1 1 . 1 1 70 70 THR N N 70 115.260 115.260 117.348 -2.088 25969 364 1 1 . 1 1 70 70 THR HA H 70 4.602 4.602 4.777 -0.175 25969 365 1 1 . 1 1 70 70 THR C C 70 172.508 172.508 172.461 0.047 25969 366 1 1 . 1 1 70 70 THR CA C 70 62.484 62.484 61.682 0.802 25969 367 1 1 . 1 1 70 70 THR CB C 70 71.367 71.367 72.160 -0.793 25969 368 1 1 . 1 1 70 70 THR H H 70 8.474 8.474 8.384 0.090 25969 369 1 1 . 1 1 71 71 LEU N N 71 128.144 128.144 121.962 6.182 25969 370 1 1 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.767 -0.259 25969 371 1 1 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.395 0.541 25969 372 1 1 . 1 1 71 71 LEU CB C 71 46.855 46.855 46.156 0.699 25969 373 1 1 . 1 1 71 71 LEU H H 71 9.284 9.284 8.050 1.234 25969 374 1 1 . 1 1 72 72 LYS N N 72 122.603 122.603 120.547 2.056 25969 375 1 1 . 1 1 72 72 LYS HA H 72 5.388 5.388 5.007 0.381 25969 376 1 1 . 1 1 72 72 LYS C C 72 171.972 171.972 174.555 -2.583 25969 377 1 1 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.322 0.080 25969 378 1 1 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.977 2.615 25969 379 1 1 . 1 1 72 72 LYS H H 72 9.123 9.123 7.942 1.181 25969 380 1 1 . 1 1 73 73 ALA N N 73 128.927 128.927 128.205 0.722 25969 381 1 1 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.577 0.274 25969 382 1 1 . 1 1 73 73 ALA C C 73 175.324 175.324 175.594 -0.270 25969 383 1 1 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.555 -0.429 25969 384 1 1 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.552 -1.076 25969 385 1 1 . 1 1 73 73 ALA H H 73 9.178 9.178 8.898 0.280 25969 386 1 1 . 1 1 74 74 VAL N N 74 123.425 123.425 120.710 2.715 25969 387 1 1 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.037 0.102 25969 388 1 1 . 1 1 74 74 VAL C C 74 173.425 173.425 173.963 -0.538 25969 389 1 1 . 1 1 74 74 VAL CA C 74 60.850 60.850 59.675 1.175 25969 390 1 1 . 1 1 74 74 VAL CB C 74 35.768 35.768 36.436 -0.668 25969 391 1 1 . 1 1 74 74 VAL H H 74 8.727 8.727 8.790 -0.063 25969 392 1 1 . 1 1 75 75 ALA N N 75 130.762 130.762 126.395 4.367 25969 393 1 1 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.402 0.256 25969 394 1 1 . 1 1 75 75 ALA C C 75 177.327 177.327 178.628 -1.301 25969 395 1 1 . 1 1 75 75 ALA CA C 75 53.200 53.200 51.804 1.396 25969 396 1 1 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.996 0.610 25969 397 1 1 . 1 1 75 75 ALA H H 75 9.164 9.164 7.666 1.498 25969 398 1 1 . 1 1 76 76 LEU N N 76 119.175 119.175 123.891 -4.716 25969 399 1 1 . 1 1 76 76 LEU HA H 76 3.794 3.794 3.985 -0.191 25969 400 1 1 . 1 1 76 76 LEU C C 76 178.036 178.036 177.254 0.782 25969 401 1 1 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.189 1.087 25969 402 1 1 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.047 -0.201 25969 403 1 1 . 1 1 76 76 LEU H H 76 8.269 8.269 8.701 -0.432 25969 404 1 1 . 1 1 77 77 ASP N N 77 115.777 115.777 114.111 1.666 25969 405 1 1 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.719 0.077 25969 406 1 1 . 1 1 77 77 ASP C C 77 176.012 176.012 177.210 -1.198 25969 407 1 1 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.927 -2.196 25969 408 1 1 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.643 -0.467 25969 409 1 1 . 1 1 77 77 ASP H H 77 7.715 7.715 8.143 -0.428 25969 410 1 1 . 1 1 78 78 ARG N N 78 122.846 122.846 119.745 3.101 25969 411 1 1 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.103 -0.020 25969 412 1 1 . 1 1 78 78 ARG C C 78 177.869 177.869 176.873 0.996 25969 413 1 1 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.364 -0.956 25969 414 1 1 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.197 0.427 25969 415 1 1 . 1 1 78 78 ARG H H 78 8.408 8.408 7.263 1.145 25969 416 1 1 . 1 1 79 79 GLU N N 79 118.091 118.091 118.667 -0.576 25969 417 1 1 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.048 -0.029 25969 418 1 1 . 1 1 79 79 GLU C C 79 177.930 177.930 177.113 0.817 25969 419 1 1 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.403 -0.079 25969 420 1 1 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.256 -0.121 25969 421 1 1 . 1 1 79 79 GLU H H 79 7.888 7.888 8.311 -0.423 25969 422 1 1 . 1 1 80 80 ALA N N 80 120.528 120.528 118.703 1.825 25969 423 1 1 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.436 -0.334 25969 424 1 1 . 1 1 80 80 ALA C C 80 178.142 178.142 176.851 1.291 25969 425 1 1 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.800 0.267 25969 426 1 1 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.627 -1.355 25969 427 1 1 . 1 1 80 80 ALA H H 80 7.175 7.175 7.990 -0.815 25969 428 1 1 . 1 1 81 81 GLU N N 81 115.377 115.377 117.409 -2.032 25969 429 1 1 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.906 -0.144 25969 430 1 1 . 1 1 81 81 GLU C C 81 171.047 171.047 175.109 -4.062 25969 431 1 1 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.592 -0.394 25969 432 1 1 . 1 1 81 81 GLU CB C 81 30.693 30.693 28.925 1.768 25969 433 1 1 . 1 1 81 81 GLU H H 81 7.457 7.457 7.502 -0.045 25969 434 1 1 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.168 0.529 25969 435 1 1 . 1 1 82 82 PRO C C 82 177.636 177.636 177.128 0.508 25969 436 1 1 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.788 -1.197 25969 437 1 1 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.885 0.947 25969 438 1 1 . 1 1 83 83 ARG N N 83 118.488 118.488 117.844 0.644 25969 439 1 1 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.529 0.045 25969 440 1 1 . 1 1 83 83 ARG C C 83 176.870 176.870 175.588 1.282 25969 441 1 1 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.185 -0.141 25969 442 1 1 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.534 0.642 25969 443 1 1 . 1 1 83 83 ARG H H 83 8.554 8.554 8.140 0.414 25969 444 1 1 . 1 1 84 84 VAL N N 84 111.376 111.376 119.495 -8.119 25969 445 1 1 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.047 -0.020 25969 446 1 1 . 1 1 84 84 VAL C C 84 174.302 174.302 174.248 0.054 25969 447 1 1 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.952 -1.409 25969 448 1 1 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.927 -0.237 25969 449 1 1 . 1 1 84 84 VAL H H 84 8.304 8.304 8.201 0.103 25969 450 1 1 . 1 1 85 85 LEU N N 85 122.000 122.000 122.306 -0.306 25969 451 1 1 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.144 0.184 25969 452 1 1 . 1 1 85 85 LEU C C 85 175.491 175.491 174.135 1.356 25969 453 1 1 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.077 -0.211 25969 454 1 1 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.817 0.305 25969 455 1 1 . 1 1 85 85 LEU H H 85 8.095 8.095 8.967 -0.872 25969 456 1 1 . 1 1 86 86 ARG N N 86 119.409 119.409 121.463 -2.054 25969 457 1 1 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.283 0.187 25969 458 1 1 . 1 1 86 86 ARG C C 86 174.928 174.928 173.376 1.552 25969 459 1 1 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.860 -0.658 25969 460 1 1 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.222 1.413 25969 461 1 1 . 1 1 86 86 ARG H H 86 8.851 8.851 8.163 0.688 25969 462 1 1 . 1 1 87 87 LEU N N 87 122.550 122.550 123.768 -1.218 25969 463 1 1 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.045 0.029 25969 464 1 1 . 1 1 87 87 LEU C C 87 174.406 174.406 174.280 0.126 25969 465 1 1 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.923 1.081 25969 466 1 1 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.405 1.719 25969 467 1 1 . 1 1 87 87 LEU H H 87 8.798 8.798 8.080 0.718 25969 468 1 1 . 1 1 88 88 ASN N N 88 125.347 125.347 123.772 1.575 25969 469 1 1 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.468 -0.045 25969 470 1 1 . 1 1 88 88 ASN C C 88 176.576 176.576 176.880 -0.304 25969 471 1 1 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.280 -0.417 25969 472 1 1 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.099 0.478 25969 473 1 1 . 1 1 88 88 ASN H H 88 7.376 7.376 8.187 -0.811 25969 474 1 1 . 1 1 89 89 GLU N N 89 114.953 114.953 118.591 -3.638 25969 475 1 1 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.243 -0.847 25969 476 1 1 . 1 1 89 89 GLU C C 89 176.684 176.684 176.977 -0.293 25969 477 1 1 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.945 -0.405 25969 478 1 1 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.658 -0.788 25969 479 1 1 . 1 1 89 89 GLU H H 89 7.586 7.586 8.294 -0.708 25969 480 1 1 . 1 1 90 90 SER N N 90 117.110 117.110 113.766 3.344 25969 481 1 1 . 1 1 90 90 SER HA H 90 4.442 4.442 4.373 0.069 25969 482 1 1 . 1 1 90 90 SER C C 90 174.051 174.051 175.176 -1.125 25969 483 1 1 . 1 1 90 90 SER CA C 90 58.895 58.895 57.968 0.927 25969 484 1 1 . 1 1 90 90 SER CB C 90 63.886 63.886 63.432 0.454 25969 485 1 1 . 1 1 90 90 SER H H 90 7.385 7.385 7.632 -0.247 25969 486 1 1 . 1 1 91 91 LEU N N 91 116.559 116.559 118.928 -2.369 25969 487 1 1 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.017 -0.320 25969 488 1 1 . 1 1 91 91 LEU C C 91 175.825 175.825 175.861 -0.036 25969 489 1 1 . 1 1 91 91 LEU CA C 91 56.042 56.042 56.257 -0.215 25969 490 1 1 . 1 1 91 91 LEU CB C 91 37.705 37.705 38.867 -1.161 25969 491 1 1 . 1 1 91 91 LEU H H 91 8.704 8.704 7.698 1.006 25969 492 1 1 . 1 1 92 92 THR N N 92 115.529 115.529 115.835 -0.306 25969 493 1 1 . 1 1 92 92 THR HA H 92 4.254 4.254 4.385 -0.131 25969 494 1 1 . 1 1 92 92 THR C C 92 173.425 173.425 173.005 0.420 25969 495 1 1 . 1 1 92 92 THR CA C 92 62.617 62.617 62.851 -0.234 25969 496 1 1 . 1 1 92 92 THR CB C 92 69.096 69.096 69.674 -0.578 25969 497 1 1 . 1 1 92 92 THR H H 92 7.704 7.704 8.421 -0.717 25969 498 1 1 . 1 1 93 93 ALA N N 93 130.459 130.459 131.517 -1.058 25969 499 1 1 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.403 0.284 25969 500 1 1 . 1 1 93 93 ALA C C 93 177.201 177.201 175.490 1.711 25969 501 1 1 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.560 0.702 25969 502 1 1 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.031 -0.221 25969 503 1 1 . 1 1 93 93 ALA H H 93 9.002 9.002 8.491 0.511 25969 504 1 1 . 1 1 94 94 VAL N N 94 117.872 117.872 120.829 -2.957 25969 505 1 1 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.854 0.050 25969 506 1 1 . 1 1 94 94 VAL C C 94 173.613 173.613 173.732 -0.119 25969 507 1 1 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.531 -0.852 25969 508 1 1 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.350 -0.314 25969 509 1 1 . 1 1 94 94 VAL H H 94 8.833 8.833 8.200 0.633 25969 510 1 1 . 1 1 95 95 VAL N N 95 121.842 121.842 128.594 -6.752 25969 511 1 1 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.816 0.437 25969 512 1 1 . 1 1 95 95 VAL C C 95 174.552 174.552 173.830 0.722 25969 513 1 1 . 1 1 95 95 VAL CA C 95 57.942 57.942 59.196 -1.254 25969 514 1 1 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.637 0.263 25969 515 1 1 . 1 1 95 95 VAL H H 95 9.286 9.286 8.746 0.540 25969 516 1 1 . 1 1 96 96 CYS N N 96 126.839 126.839 124.192 2.647 25969 517 1 1 . 1 1 96 96 CYS HA H 96 5.423 5.423 5.055 0.368 25969 518 1 1 . 1 1 96 96 CYS C C 96 174.135 174.135 175.597 -1.462 25969 519 1 1 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.914 -3.645 25969 520 1 1 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.767 15.688 25969 521 1 1 . 1 1 96 96 CYS H H 96 9.452 9.452 8.966 0.486 25969 522 1 1 . 1 1 97 97 GLY N N 97 109.718 109.718 108.239 1.479 25969 523 1 1 . 1 1 97 97 GLY C C 97 172.639 172.639 172.925 -0.286 25969 524 1 1 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.336 1.052 25969 525 1 1 . 1 1 97 97 GLY H H 97 8.355 8.355 8.703 -0.348 25969 526 1 1 . 1 1 98 98 LYS N N 98 114.844 114.844 120.211 -5.367 25969 527 1 1 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.715 0.029 25969 528 1 1 . 1 1 98 98 LYS C C 98 174.051 174.051 174.497 -0.446 25969 529 1 1 . 1 1 98 98 LYS CA C 98 54.336 54.336 54.823 -0.487 25969 530 1 1 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.457 0.071 25969 531 1 1 . 1 1 98 98 LYS H H 98 7.632 7.632 7.984 -0.352 25969 532 1 1 . 1 1 99 99 MET N N 99 124.801 124.801 127.151 -2.350 25969 533 1 1 . 1 1 99 99 MET HA H 99 5.017 5.017 4.718 0.299 25969 534 1 1 . 1 1 99 99 MET C C 99 176.337 176.337 175.017 1.320 25969 535 1 1 . 1 1 99 99 MET CA C 99 54.803 54.803 55.114 -0.311 25969 536 1 1 . 1 1 99 99 MET CB C 99 34.646 34.646 33.520 1.126 25969 537 1 1 . 1 1 99 99 MET H H 99 8.759 8.759 8.876 -0.117 25969 538 1 1 . 1 1 100 100 LYS N N 100 126.252 126.252 126.052 0.200 25969 539 1 1 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.484 -0.108 25969 540 1 1 . 1 1 100 100 LYS C C 100 177.222 177.222 177.355 -0.133 25969 541 1 1 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.189 -0.734 25969 542 1 1 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.177 -0.748 25969 543 1 1 . 1 1 100 100 LYS H H 100 8.602 8.602 8.252 0.350 25969 544 1 1 . 1 1 101 101 GLY N N 101 108.944 108.944 106.348 2.596 25969 545 1 1 . 1 1 101 101 GLY C C 101 173.613 173.613 174.314 -0.701 25969 546 1 1 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.143 0.442 25969 547 1 1 . 1 1 101 101 GLY H H 101 8.385 8.385 7.882 0.503 25969 548 1 1 . 1 1 102 102 LYS N N 102 118.594 118.594 119.504 -0.910 25969 549 1 1 . 1 1 102 102 LYS HA H 102 4.414 4.414 3.984 0.430 25969 550 1 1 . 1 1 102 102 LYS C C 102 176.867 176.867 175.997 0.870 25969 551 1 1 . 1 1 102 102 LYS CA C 102 55.872 55.872 58.765 -2.893 25969 552 1 1 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.988 1.035 25969 553 1 1 . 1 1 102 102 LYS H H 102 8.436 8.436 7.982 0.454 25969 554 1 1 . 1 1 103 103 GLY N N 103 110.581 110.581 106.337 4.244 25969 555 1 1 . 1 1 103 103 GLY C C 103 171.631 171.631 172.359 -0.728 25969 556 1 1 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.485 1.435 25969 557 1 1 . 1 1 103 103 GLY H H 103 8.443 8.443 7.885 0.558 25969 558 1 1 . 1 1 104 104 SER N N 104 113.710 113.710 116.734 -3.024 25969 559 1 1 . 1 1 104 104 SER HA H 104 4.697 4.697 4.791 -0.094 25969 560 1 1 . 1 1 104 104 SER C C 104 174.680 174.680 174.157 0.523 25969 561 1 1 . 1 1 104 104 SER CA C 104 57.331 57.331 56.412 0.919 25969 562 1 1 . 1 1 104 104 SER CB C 104 66.178 66.178 66.732 -0.554 25969 563 1 1 . 1 1 104 104 SER H H 104 8.535 8.535 8.037 0.498 25969 564 1 1 . 1 1 105 105 CYS N N 105 118.835 118.835 120.376 -1.541 25969 565 1 1 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.470 0.142 25969 566 1 1 . 1 1 105 105 CYS C C 105 176.502 176.502 176.519 -0.017 25969 567 1 1 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.201 -3.065 25969 568 1 1 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.013 13.399 25969 569 1 1 . 1 1 105 105 CYS H H 105 10.009 10.009 8.967 1.042 25969 570 1 1 . 1 1 106 106 THR N N 106 107.957 107.957 114.235 -6.278 25969 571 1 1 . 1 1 106 106 THR HA H 106 4.574 4.574 3.886 0.688 25969 572 1 1 . 1 1 106 106 THR C C 106 175.178 175.178 173.424 1.754 25969 573 1 1 . 1 1 106 106 THR CA C 106 61.014 61.014 64.172 -3.158 25969 574 1 1 . 1 1 106 106 THR CB C 106 68.495 68.495 67.871 0.624 25969 575 1 1 . 1 1 106 106 THR H H 106 8.030 8.030 8.801 -0.771 25969 576 1 1 . 1 1 107 107 ASP N N 107 120.763 120.763 118.156 2.607 25969 577 1 1 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.730 -0.410 25969 578 1 1 . 1 1 107 107 ASP C C 107 177.264 177.264 175.993 1.271 25969 579 1 1 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.752 0.252 25969 580 1 1 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.541 -2.697 25969 581 1 1 . 1 1 107 107 ASP H H 107 7.531 7.531 8.011 -0.480 25969 582 1 1 . 1 1 108 108 GLY N N 108 108.602 108.602 109.598 -0.996 25969 583 1 1 . 1 1 108 108 GLY C C 108 174.698 174.698 173.469 1.229 25969 584 1 1 . 1 1 108 108 GLY CA C 108 45.653 45.653 45.649 0.004 25969 585 1 1 . 1 1 108 108 GLY H H 108 8.591 8.591 7.900 0.691 25969 586 1 1 . 1 1 109 109 GLU N N 109 120.191 120.191 120.358 -0.167 25969 587 1 1 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.372 0.080 25969 588 1 1 . 1 1 109 109 GLU C C 109 176.472 176.472 175.663 0.809 25969 589 1 1 . 1 1 109 109 GLU CA C 109 55.678 55.678 56.518 -0.840 25969 590 1 1 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.294 0.590 25969 591 1 1 . 1 1 109 109 GLU H H 109 8.292 8.292 7.833 0.459 25969 592 1 1 . 1 1 110 110 GLU N N 110 116.857 116.857 119.276 -2.419 25969 593 1 1 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.379 -0.163 25969 594 1 1 . 1 1 110 110 GLU C C 110 176.381 176.381 174.811 1.570 25969 595 1 1 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.154 0.982 25969 596 1 1 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.218 0.055 25969 597 1 1 . 1 1 110 110 GLU H H 110 9.028 9.028 8.515 0.513 25969 598 1 1 . 1 1 111 111 ILE N N 111 109.164 109.164 114.798 -5.634 25969 599 1 1 . 1 1 111 111 ILE HA H 111 4.835 4.835 5.029 -0.194 25969 600 1 1 . 1 1 111 111 ILE C C 111 176.868 176.868 174.481 2.387 25969 601 1 1 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.467 -0.325 25969 602 1 1 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.821 1.294 25969 603 1 1 . 1 1 111 111 ILE H H 111 7.022 7.022 7.239 -0.217 25969 604 1 1 . 1 1 112 112 PHE N N 112 118.509 118.509 122.992 -4.483 25969 605 1 1 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.927 0.185 25969 606 1 1 . 1 1 112 112 PHE C C 112 174.171 174.171 173.658 0.513 25969 607 1 1 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.448 2.343 25969 608 1 1 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.895 2.964 25969 609 1 1 . 1 1 112 112 PHE H H 112 8.605 8.605 7.984 0.621 25969 610 1 1 . 1 1 113 113 ARG N N 113 119.908 119.908 124.012 -4.104 25969 611 1 1 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.415 0.357 25969 612 1 1 . 1 1 113 113 ARG C C 113 176.930 176.930 175.954 0.976 25969 613 1 1 . 1 1 113 113 ARG CA C 113 55.404 55.404 54.105 1.299 25969 614 1 1 . 1 1 113 113 ARG CB C 113 33.431 33.431 31.363 2.068 25969 615 1 1 . 1 1 113 113 ARG H H 113 9.352 9.352 7.619 1.733 25969 616 1 1 . 1 1 114 114 GLY N N 114 109.477 109.477 112.735 -3.258 25969 617 1 1 . 1 1 114 114 GLY C C 114 173.738 173.738 173.889 -0.151 25969 618 1 1 . 1 1 114 114 GLY CA C 114 44.451 44.451 46.139 -1.688 25969 619 1 1 . 1 1 114 114 GLY H H 114 8.467 8.467 8.499 -0.032 25969 620 1 1 . 1 1 115 115 ASN N N 115 119.193 119.193 120.118 -0.925 25969 621 1 1 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.841 -0.107 25969 622 1 1 . 1 1 115 115 ASN C C 115 173.530 173.530 173.514 0.016 25969 623 1 1 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.658 0.075 25969 624 1 1 . 1 1 115 115 ASN CB C 115 39.642 39.642 39.935 -0.293 25969 625 1 1 . 1 1 115 115 ASN H H 115 8.523 8.523 8.388 0.135 25969 626 1 1 . 1 1 116 116 ASP N N 116 120.602 120.602 117.641 2.961 25969 627 1 1 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.338 -0.255 25969 628 1 1 . 1 1 116 116 ASP C C 116 174.030 174.030 174.525 -0.495 25969 629 1 1 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.389 1.881 25969 630 1 1 . 1 1 116 116 ASP CB C 116 43.983 43.983 44.354 -0.371 25969 631 1 1 . 1 1 116 116 ASP H H 116 8.098 8.098 7.825 0.273 25969 632 1 1 . 1 1 117 117 ALA N N 117 123.146 123.146 120.481 2.665 25969 633 1 1 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.514 0.202 25969 634 1 1 . 1 1 117 117 ALA C C 117 175.345 175.345 176.027 -0.682 25969 635 1 1 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.873 -0.411 25969 636 1 1 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.934 1.210 25969 637 1 1 . 1 1 117 117 ALA H H 117 8.979 8.979 8.137 0.842 25969 638 1 1 . 1 1 118 118 GLU N N 118 115.917 115.917 116.044 -0.127 25969 639 1 1 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.996 -0.101 25969 640 1 1 . 1 1 118 118 GLU C C 118 177.181 177.181 174.702 2.479 25969 641 1 1 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.466 -1.108 25969 642 1 1 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.419 -0.667 25969 643 1 1 . 1 1 118 118 GLU H H 118 8.829 8.829 8.745 0.084 25969 644 1 1 . 1 1 119 119 CYS N N 119 119.476 119.476 116.701 2.775 25969 645 1 1 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.401 0.069 25969 646 1 1 . 1 1 119 119 CYS C C 119 174.738 174.738 174.609 0.129 25969 647 1 1 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.219 -1.055 25969 648 1 1 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.364 13.094 25969 649 1 1 . 1 1 119 119 CYS H H 119 8.671 8.671 8.094 0.577 25969 650 1 1 . 1 1 120 120 ARG N N 120 123.444 123.444 121.848 1.596 25969 651 1 1 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.011 -0.086 25969 652 1 1 . 1 1 120 120 ARG C C 120 172.028 172.028 173.172 -1.144 25969 653 1 1 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.084 0.584 25969 654 1 1 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.685 0.876 25969 655 1 1 . 1 1 120 120 ARG H H 120 9.238 9.238 9.213 0.025 25969 656 1 1 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.730 -0.184 25969 657 1 1 . 1 1 121 121 PRO C C 121 176.138 176.138 175.477 0.661 25969 658 1 1 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.109 0.911 25969 659 1 1 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.990 0.172 25969 660 1 1 . 1 1 122 122 PHE N N 122 124.392 124.392 125.353 -0.961 25969 661 1 1 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.795 -0.089 25969 662 1 1 . 1 1 122 122 PHE C C 122 175.032 175.032 174.238 0.794 25969 663 1 1 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.331 1.077 25969 664 1 1 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.843 -2.466 25969 665 1 1 . 1 1 122 122 PHE H H 122 8.335 8.335 8.836 -0.501 25969 666 1 1 . 1 1 123 123 THR N N 123 118.912 118.912 114.541 4.371 25969 667 1 1 . 1 1 123 123 THR HA H 123 4.140 4.140 4.586 -0.446 25969 668 1 1 . 1 1 123 123 THR C C 123 173.071 173.071 173.847 -0.776 25969 669 1 1 . 1 1 123 123 THR CA C 123 60.948 60.948 59.681 1.267 25969 670 1 1 . 1 1 123 123 THR CB C 123 69.430 69.430 70.342 -0.912 25969 671 1 1 . 1 1 123 123 THR H H 123 8.146 8.146 7.887 0.259 25969 672 1 2 . 1 1 7 7 ARG N N 7 122.494 122.494 121.552 0.942 25969 673 1 2 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.482 -0.132 25969 674 1 2 . 1 1 7 7 ARG C C 7 177.037 177.037 175.099 1.938 25969 675 1 2 . 1 1 7 7 ARG CA C 7 56.724 56.724 55.858 0.866 25969 676 1 2 . 1 1 7 7 ARG CB C 7 30.881 30.881 32.126 -1.245 25969 677 1 2 . 1 1 7 7 ARG H H 7 8.649 8.649 8.127 0.522 25969 678 1 2 . 1 1 8 8 SER N N 8 117.535 117.535 116.671 0.864 25969 679 1 2 . 1 1 8 8 SER HA H 8 4.384 4.384 4.225 0.159 25969 680 1 2 . 1 1 8 8 SER C C 8 174.613 174.613 174.327 0.286 25969 681 1 2 . 1 1 8 8 SER CA C 8 59.412 59.412 59.741 -0.329 25969 682 1 2 . 1 1 8 8 SER CB C 8 63.686 63.686 63.048 0.638 25969 683 1 2 . 1 1 8 8 SER H H 8 8.522 8.522 8.215 0.307 25969 684 1 2 . 1 1 9 9 ALA N N 9 126.336 126.336 127.990 -1.654 25969 685 1 2 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.589 -0.124 25969 686 1 2 . 1 1 9 9 ALA C C 9 178.349 178.349 178.094 0.255 25969 687 1 2 . 1 1 9 9 ALA CA C 9 53.067 53.067 51.746 1.321 25969 688 1 2 . 1 1 9 9 ALA CB C 9 18.914 18.914 20.465 -1.551 25969 689 1 2 . 1 1 9 9 ALA H H 9 8.415 8.415 7.442 0.973 25969 690 1 2 . 1 1 10 10 ASN N N 10 121.438 121.438 117.738 3.700 25969 691 1 2 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.734 -0.048 25969 692 1 2 . 1 1 10 10 ASN C C 10 175.571 175.571 175.868 -0.297 25969 693 1 2 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.284 -0.037 25969 694 1 2 . 1 1 10 10 ASN CB C 10 39.125 39.125 37.596 1.528 25969 695 1 2 . 1 1 10 10 ASN H H 10 9.263 9.263 9.150 0.113 25969 696 1 2 . 1 1 11 11 LEU N N 11 125.021 125.021 120.254 4.767 25969 697 1 2 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.752 0.869 25969 698 1 2 . 1 1 11 11 LEU C C 11 178.567 178.567 177.961 0.606 25969 699 1 2 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.432 1.454 25969 700 1 2 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.218 1.042 25969 701 1 2 . 1 1 11 11 LEU H H 11 8.560 8.560 7.560 1.000 25969 702 1 2 . 1 1 12 12 ARG N N 12 117.977 117.977 118.296 -0.319 25969 703 1 2 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.071 0.063 25969 704 1 2 . 1 1 12 12 ARG C C 12 179.350 179.350 178.619 0.731 25969 705 1 2 . 1 1 12 12 ARG CA C 12 60.347 60.347 58.229 2.118 25969 706 1 2 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.492 1.199 25969 707 1 2 . 1 1 12 12 ARG H H 12 8.114 8.114 8.137 -0.023 25969 708 1 2 . 1 1 13 13 ALA N N 13 123.280 123.280 121.388 1.892 25969 709 1 2 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.179 0.034 25969 710 1 2 . 1 1 13 13 ALA C C 13 180.957 180.957 179.560 1.397 25969 711 1 2 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.595 -0.193 25969 712 1 2 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.072 -0.203 25969 713 1 2 . 1 1 13 13 ALA H H 13 7.871 7.871 7.694 0.177 25969 714 1 2 . 1 1 14 14 ALA N N 14 122.111 122.111 120.800 1.311 25969 715 1 2 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.912 -0.207 25969 716 1 2 . 1 1 14 14 ALA C C 14 178.578 178.578 178.871 -0.293 25969 717 1 2 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.377 1.027 25969 718 1 2 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.971 -0.711 25969 719 1 2 . 1 1 14 14 ALA H H 14 7.930 7.930 7.230 0.700 25969 720 1 2 . 1 1 15 15 HIS N N 15 118.502 118.502 117.713 0.789 25969 721 1 2 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.227 -0.451 25969 722 1 2 . 1 1 15 15 HIS C C 15 176.304 176.304 176.893 -0.589 25969 723 1 2 . 1 1 15 15 HIS CA C 15 60.031 60.031 60.026 0.005 25969 724 1 2 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.684 1.686 25969 725 1 2 . 1 1 15 15 HIS H H 15 8.422 8.422 8.789 -0.367 25969 726 1 2 . 1 1 16 16 ALA N N 16 120.116 120.116 119.535 0.581 25969 727 1 2 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.334 -0.480 25969 728 1 2 . 1 1 16 16 ALA C C 16 180.644 180.644 178.629 2.015 25969 729 1 2 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.712 1.759 25969 730 1 2 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.873 -1.071 25969 731 1 2 . 1 1 16 16 ALA H H 16 7.980 7.980 7.474 0.506 25969 732 1 2 . 1 1 17 17 ALA N N 17 121.281 121.281 123.465 -2.184 25969 733 1 2 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.071 0.105 25969 734 1 2 . 1 1 17 17 ALA C C 17 180.122 180.122 179.117 1.005 25969 735 1 2 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.845 -0.376 25969 736 1 2 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.558 1.582 25969 737 1 2 . 1 1 17 17 ALA H H 17 7.465 7.465 7.486 -0.021 25969 738 1 2 . 1 1 18 18 LEU N N 18 120.262 120.262 118.284 1.978 25969 739 1 2 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.072 -0.265 25969 740 1 2 . 1 1 18 18 LEU C C 18 178.766 178.766 179.377 -0.611 25969 741 1 2 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.338 1.406 25969 742 1 2 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.880 0.831 25969 743 1 2 . 1 1 18 18 LEU H H 18 8.468 8.468 8.508 -0.040 25969 744 1 2 . 1 1 19 19 LEU N N 19 119.078 119.078 121.304 -2.226 25969 745 1 2 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.172 -0.310 25969 746 1 2 . 1 1 19 19 LEU C C 19 179.517 179.517 178.407 1.110 25969 747 1 2 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.588 -0.579 25969 748 1 2 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.068 0.377 25969 749 1 2 . 1 1 19 19 LEU H H 19 8.029 8.029 7.577 0.452 25969 750 1 2 . 1 1 20 20 GLU N N 20 121.499 121.499 119.593 1.906 25969 751 1 2 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.051 -0.024 25969 752 1 2 . 1 1 20 20 GLU C C 20 180.289 180.289 179.295 0.994 25969 753 1 2 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.527 0.352 25969 754 1 2 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.386 -0.096 25969 755 1 2 . 1 1 20 20 GLU H H 20 7.895 7.895 8.599 -0.704 25969 756 1 2 . 1 1 21 21 ASN N N 21 119.066 119.066 118.029 1.037 25969 757 1 2 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.673 -0.135 25969 758 1 2 . 1 1 21 21 ASN C C 21 177.368 177.368 176.963 0.405 25969 759 1 2 . 1 1 21 21 ASN CA C 21 55.872 55.872 56.078 -0.206 25969 760 1 2 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.881 1.563 25969 761 1 2 . 1 1 21 21 ASN H H 21 8.373 8.373 8.457 -0.084 25969 762 1 2 . 1 1 22 22 ALA N N 22 125.274 125.274 124.182 1.092 25969 763 1 2 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.071 -0.298 25969 764 1 2 . 1 1 22 22 ALA C C 22 179.402 179.402 179.973 -0.571 25969 765 1 2 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.267 0.204 25969 766 1 2 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.676 -0.456 25969 767 1 2 . 1 1 22 22 ALA H H 22 8.886 8.886 8.473 0.413 25969 768 1 2 . 1 1 23 23 ARG N N 23 119.945 119.945 117.015 2.930 25969 769 1 2 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.176 0.021 25969 770 1 2 . 1 1 23 23 ARG C C 23 179.726 179.726 178.277 1.449 25969 771 1 2 . 1 1 23 23 ARG CA C 23 59.812 59.812 59.077 0.735 25969 772 1 2 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.879 -0.188 25969 773 1 2 . 1 1 23 23 ARG H H 23 8.168 8.168 8.416 -0.248 25969 774 1 2 . 1 1 24 24 PHE N N 24 121.222 121.222 120.594 0.628 25969 775 1 2 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.366 0.001 25969 776 1 2 . 1 1 24 24 PHE C C 24 177.410 177.410 177.916 -0.506 25969 777 1 2 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.671 -0.323 25969 778 1 2 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.057 -1.151 25969 779 1 2 . 1 1 24 24 PHE H H 24 7.658 7.658 7.725 -0.067 25969 780 1 2 . 1 1 25 25 MET N N 25 120.355 120.355 118.207 2.148 25969 781 1 2 . 1 1 25 25 MET HA H 25 4.300 4.300 4.633 -0.333 25969 782 1 2 . 1 1 25 25 MET C C 25 179.371 179.371 178.172 1.199 25969 783 1 2 . 1 1 25 25 MET CA C 25 55.939 55.939 55.909 0.030 25969 784 1 2 . 1 1 25 25 MET CB C 25 29.424 29.424 31.499 -2.075 25969 785 1 2 . 1 1 25 25 MET H H 25 8.358 8.358 9.057 -0.699 25969 786 1 2 . 1 1 26 26 GLU N N 26 120.164 120.164 119.881 0.283 25969 787 1 2 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.337 0.001 25969 788 1 2 . 1 1 26 26 GLU C C 26 179.934 179.934 179.988 -0.054 25969 789 1 2 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.773 0.280 25969 790 1 2 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.229 0.255 25969 791 1 2 . 1 1 26 26 GLU H H 26 8.441 8.441 8.520 -0.079 25969 792 1 2 . 1 1 27 27 GLN N N 27 121.309 121.309 119.039 2.270 25969 793 1 2 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.288 -0.156 25969 794 1 2 . 1 1 27 27 GLN C C 27 178.307 178.307 178.258 0.049 25969 795 1 2 . 1 1 27 27 GLN CA C 27 58.610 58.610 57.717 0.893 25969 796 1 2 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.788 -0.700 25969 797 1 2 . 1 1 27 27 GLN H H 27 8.001 8.001 8.295 -0.294 25969 798 1 2 . 1 1 28 28 PHE N N 28 124.569 124.569 122.142 2.427 25969 799 1 2 . 1 1 28 28 PHE HA H 28 3.814 3.814 4.030 -0.216 25969 800 1 2 . 1 1 28 28 PHE C C 28 177.717 177.717 177.636 0.081 25969 801 1 2 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.672 0.520 25969 802 1 2 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.020 0.323 25969 803 1 2 . 1 1 28 28 PHE H H 28 8.760 8.760 8.414 0.346 25969 804 1 2 . 1 1 29 29 TYR N N 29 121.726 121.726 119.688 2.038 25969 805 1 2 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.239 -0.444 25969 806 1 2 . 1 1 29 29 TYR C C 29 179.079 179.079 176.953 2.126 25969 807 1 2 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.230 -0.281 25969 808 1 2 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.733 -0.026 25969 809 1 2 . 1 1 29 29 TYR H H 29 8.956 8.956 8.522 0.434 25969 810 1 2 . 1 1 30 30 ALA N N 30 121.142 121.142 120.238 0.904 25969 811 1 2 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.121 -0.073 25969 812 1 2 . 1 1 30 30 ALA C C 30 174.781 174.781 178.543 -3.762 25969 813 1 2 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.276 0.594 25969 814 1 2 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.309 -0.440 25969 815 1 2 . 1 1 30 30 ALA H H 30 8.063 8.063 7.755 0.308 25969 816 1 2 . 1 1 31 31 LYS N N 31 114.745 114.745 115.528 -0.783 25969 817 1 2 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.227 -0.039 25969 818 1 2 . 1 1 31 31 LYS C C 31 177.744 177.744 177.214 0.530 25969 819 1 2 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.505 -0.097 25969 820 1 2 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.393 -0.218 25969 821 1 2 . 1 1 31 31 LYS H H 31 7.172 7.172 7.991 -0.819 25969 822 1 2 . 1 1 32 32 LYS N N 32 117.388 117.388 117.245 0.143 25969 823 1 2 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.270 -0.157 25969 824 1 2 . 1 1 32 32 LYS C C 32 177.747 177.747 176.678 1.069 25969 825 1 2 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.239 -0.434 25969 826 1 2 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.516 -0.618 25969 827 1 2 . 1 1 32 32 LYS H H 32 8.154 8.154 7.753 0.401 25969 828 1 2 . 1 1 33 33 GLY N N 33 109.017 109.017 106.177 2.840 25969 829 1 2 . 1 1 33 33 GLY C C 33 171.798 171.798 173.146 -1.348 25969 830 1 2 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.725 -0.074 25969 831 1 2 . 1 1 33 33 GLY H H 33 8.945 8.945 8.415 0.530 25969 832 1 2 . 1 1 34 34 SER N N 34 110.165 110.165 114.218 -4.053 25969 833 1 2 . 1 1 34 34 SER HA H 34 4.136 4.136 5.216 -1.080 25969 834 1 2 . 1 1 34 34 SER C C 34 172.862 172.862 173.592 -0.730 25969 835 1 2 . 1 1 34 34 SER CA C 34 56.673 56.673 57.626 -0.953 25969 836 1 2 . 1 1 34 34 SER CB C 34 64.621 64.621 65.656 -1.035 25969 837 1 2 . 1 1 34 34 SER H H 34 6.756 6.756 7.589 -0.833 25969 838 1 2 . 1 1 35 35 PHE N N 35 121.132 121.132 120.156 0.976 25969 839 1 2 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.778 0.336 25969 840 1 2 . 1 1 35 35 PHE C C 35 172.888 172.888 176.163 -3.275 25969 841 1 2 . 1 1 35 35 PHE CA C 35 59.260 59.260 58.828 0.432 25969 842 1 2 . 1 1 35 35 PHE CB C 35 40.488 40.488 39.990 0.498 25969 843 1 2 . 1 1 35 35 PHE H H 35 9.403 9.403 8.954 0.449 25969 844 1 2 . 1 1 36 36 LYS N N 36 114.841 114.841 119.865 -5.024 25969 845 1 2 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.468 -0.084 25969 846 1 2 . 1 1 36 36 LYS C C 36 177.118 177.118 176.878 0.240 25969 847 1 2 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.443 -0.171 25969 848 1 2 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.488 -0.391 25969 849 1 2 . 1 1 36 36 LYS H H 36 8.536 8.536 8.227 0.309 25969 850 1 2 . 1 1 37 37 LEU N N 37 124.789 124.789 118.574 6.215 25969 851 1 2 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.752 -0.302 25969 852 1 2 . 1 1 37 37 LEU C C 37 177.535 177.535 176.760 0.775 25969 853 1 2 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.077 2.666 25969 854 1 2 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.367 1.884 25969 855 1 2 . 1 1 37 37 LEU H H 37 8.503 8.503 8.461 0.042 25969 856 1 2 . 1 1 38 38 THR N N 38 108.556 108.556 112.996 -4.440 25969 857 1 2 . 1 1 38 38 THR HA H 38 4.619 4.619 4.616 0.003 25969 858 1 2 . 1 1 38 38 THR C C 38 173.947 173.947 172.900 1.047 25969 859 1 2 . 1 1 38 38 THR CA C 38 58.944 58.944 60.364 -1.419 25969 860 1 2 . 1 1 38 38 THR CB C 38 71.818 71.818 70.781 1.037 25969 861 1 2 . 1 1 38 38 THR H H 38 8.189 8.189 7.574 0.615 25969 862 1 2 . 1 1 39 39 SER N N 39 110.757 110.757 117.061 -6.304 25969 863 1 2 . 1 1 39 39 SER HA H 39 4.057 4.057 4.410 -0.353 25969 864 1 2 . 1 1 39 39 SER C C 39 174.904 174.904 174.458 0.446 25969 865 1 2 . 1 1 39 39 SER CA C 39 60.938 60.938 59.368 1.569 25969 866 1 2 . 1 1 39 39 SER CB C 39 63.218 63.218 63.746 -0.528 25969 867 1 2 . 1 1 39 39 SER H H 39 8.590 8.590 8.394 0.196 25969 868 1 2 . 1 1 40 40 THR N N 40 129.807 129.807 111.863 17.944 25969 869 1 2 . 1 1 40 40 THR HA H 40 4.453 4.453 3.756 0.697 25969 870 1 2 . 1 1 40 40 THR C C 40 174.928 174.928 173.133 1.795 25969 871 1 2 . 1 1 40 40 THR CA C 40 60.351 60.351 62.952 -2.601 25969 872 1 2 . 1 1 40 40 THR CB C 40 69.910 69.910 67.993 1.917 25969 873 1 2 . 1 1 40 40 THR H H 40 7.570 7.570 8.371 -0.801 25969 874 1 2 . 1 1 41 41 LYS N N 41 125.614 125.614 119.613 6.001 25969 875 1 2 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.606 0.106 25969 876 1 2 . 1 1 41 41 LYS C C 41 174.907 174.907 174.379 0.528 25969 877 1 2 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.764 0.974 25969 878 1 2 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.654 1.388 25969 879 1 2 . 1 1 41 41 LYS H H 41 7.425 7.425 7.780 -0.355 25969 880 1 2 . 1 1 42 42 TRP N N 42 124.827 124.827 123.405 1.422 25969 881 1 2 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.084 0.018 25969 882 1 2 . 1 1 42 42 TRP C C 42 173.384 173.384 174.636 -1.252 25969 883 1 2 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.929 1.473 25969 884 1 2 . 1 1 42 42 TRP CB C 42 29.891 29.891 30.208 -0.317 25969 885 1 2 . 1 1 42 42 TRP H H 42 8.590 8.590 8.676 -0.086 25969 886 1 2 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.435 0.012 25969 887 1 2 . 1 1 43 43 PRO C C 43 174.990 174.990 176.242 -1.252 25969 888 1 2 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.594 -0.043 25969 889 1 2 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.270 -0.175 25969 890 1 2 . 1 1 44 44 GLU N N 44 120.080 120.080 122.702 -2.622 25969 891 1 2 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.127 -0.162 25969 892 1 2 . 1 1 44 44 GLU C C 44 175.699 175.699 176.358 -0.659 25969 893 1 2 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.434 -0.228 25969 894 1 2 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.627 -1.045 25969 895 1 2 . 1 1 44 44 GLU H H 44 8.134 8.134 8.420 -0.286 25969 896 1 2 . 1 1 45 45 LEU N N 45 125.972 125.972 123.380 2.592 25969 897 1 2 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.710 -0.747 25969 898 1 2 . 1 1 45 45 LEU C C 45 176.242 176.242 175.350 0.892 25969 899 1 2 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.422 -0.691 25969 900 1 2 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.532 -0.220 25969 901 1 2 . 1 1 45 45 LEU H H 45 8.363 8.363 8.071 0.292 25969 902 1 2 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.134 0.040 25969 903 1 2 . 1 1 46 46 PRO C C 46 177.702 177.702 176.031 1.671 25969 904 1 2 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.513 0.307 25969 905 1 2 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.991 -0.430 25969 906 1 2 . 1 1 47 47 VAL N N 47 119.474 119.474 118.675 0.799 25969 907 1 2 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.928 0.307 25969 908 1 2 . 1 1 47 47 VAL C C 47 175.178 175.178 175.074 0.104 25969 909 1 2 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.331 -0.315 25969 910 1 2 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.514 -0.366 25969 911 1 2 . 1 1 47 47 VAL H H 47 7.836 7.836 8.078 -0.242 25969 912 1 2 . 1 1 48 48 LYS N N 48 124.385 124.385 123.324 1.061 25969 913 1 2 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.630 -0.321 25969 914 1 2 . 1 1 48 48 LYS C C 48 176.534 176.534 175.617 0.917 25969 915 1 2 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.228 0.912 25969 916 1 2 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.677 0.155 25969 917 1 2 . 1 1 48 48 LYS H H 48 8.638 8.638 8.322 0.316 25969 918 1 2 . 1 1 49 49 GLU N N 49 118.262 118.262 117.897 0.365 25969 919 1 2 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.636 0.595 25969 920 1 2 . 1 1 49 49 GLU C C 49 174.552 174.552 174.396 0.156 25969 921 1 2 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.734 -0.464 25969 922 1 2 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.769 1.528 25969 923 1 2 . 1 1 49 49 GLU H H 49 7.473 7.473 7.720 -0.247 25969 924 1 2 . 1 1 50 50 ALA N N 50 124.186 124.186 129.021 -4.835 25969 925 1 2 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.625 -0.174 25969 926 1 2 . 1 1 50 50 ALA C C 50 177.890 177.890 176.434 1.456 25969 927 1 2 . 1 1 50 50 ALA CA C 50 53.133 53.133 52.307 0.826 25969 928 1 2 . 1 1 50 50 ALA CB C 50 23.613 23.613 19.796 3.817 25969 929 1 2 . 1 1 50 50 ALA H H 50 8.902 8.902 8.871 0.031 25969 930 1 2 . 1 1 51 51 GLY N N 51 109.041 109.041 104.602 4.439 25969 931 1 2 . 1 1 51 51 GLY C C 51 173.759 173.759 174.550 -0.791 25969 932 1 2 . 1 1 51 51 GLY CA C 51 47.657 47.657 45.572 2.084 25969 933 1 2 . 1 1 51 51 GLY H H 51 9.113 9.113 8.680 0.433 25969 934 1 2 . 1 1 52 52 GLY N N 52 104.272 104.272 106.859 -2.587 25969 935 1 2 . 1 1 52 52 GLY C C 52 174.156 174.156 172.895 1.261 25969 936 1 2 . 1 1 52 52 GLY CA C 52 45.520 45.520 45.450 0.070 25969 937 1 2 . 1 1 52 52 GLY H H 52 8.873 8.873 8.323 0.550 25969 938 1 2 . 1 1 53 53 PHE N N 53 120.324 120.324 119.902 0.422 25969 939 1 2 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.567 -0.410 25969 940 1 2 . 1 1 53 53 PHE C C 53 175.574 175.574 174.234 1.340 25969 941 1 2 . 1 1 53 53 PHE CA C 53 56.940 56.940 54.787 2.153 25969 942 1 2 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.191 -1.812 25969 943 1 2 . 1 1 53 53 PHE H H 53 8.278 8.278 7.643 0.635 25969 944 1 2 . 1 1 54 54 CYS N N 54 116.465 116.465 117.766 -1.301 25969 945 1 2 . 1 1 54 54 CYS HA H 54 5.660 5.660 5.079 0.581 25969 946 1 2 . 1 1 54 54 CYS C C 54 173.092 173.092 173.417 -0.325 25969 947 1 2 . 1 1 54 54 CYS CA C 54 54.997 54.997 55.975 -0.978 25969 948 1 2 . 1 1 54 54 CYS CB C 54 44.496 44.496 28.947 15.550 25969 949 1 2 . 1 1 54 54 CYS H H 54 9.911 9.911 9.279 0.632 25969 950 1 2 . 1 1 55 55 ILE N N 55 119.910 119.910 123.448 -3.538 25969 951 1 2 . 1 1 55 55 ILE HA H 55 5.311 5.311 4.836 0.475 25969 952 1 2 . 1 1 55 55 ILE C C 55 175.366 175.366 175.830 -0.464 25969 953 1 2 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.273 0.207 25969 954 1 2 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.133 -0.433 25969 955 1 2 . 1 1 55 55 ILE H H 55 7.971 7.971 8.473 -0.502 25969 956 1 2 . 1 1 56 56 ARG N N 56 122.445 122.445 121.509 0.936 25969 957 1 2 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.686 -0.065 25969 958 1 2 . 1 1 56 56 ARG C C 56 174.948 174.948 174.255 0.693 25969 959 1 2 . 1 1 56 56 ARG CA C 56 53.467 53.467 54.301 -0.834 25969 960 1 2 . 1 1 56 56 ARG CB C 56 36.410 36.410 34.902 1.508 25969 961 1 2 . 1 1 56 56 ARG H H 56 8.927 8.927 8.082 0.845 25969 962 1 2 . 1 1 57 57 MET N N 57 119.875 119.875 120.805 -0.930 25969 963 1 2 . 1 1 57 57 MET HA H 57 4.574 4.574 4.404 0.170 25969 964 1 2 . 1 1 57 57 MET C C 57 175.845 175.845 176.029 -0.184 25969 965 1 2 . 1 1 57 57 MET CA C 57 55.204 55.204 56.558 -1.354 25969 966 1 2 . 1 1 57 57 MET CB C 57 32.162 32.162 34.107 -1.945 25969 967 1 2 . 1 1 57 57 MET H H 57 9.022 9.022 8.784 0.238 25969 968 1 2 . 1 1 58 58 SER N N 58 114.338 114.338 117.399 -3.061 25969 969 1 2 . 1 1 58 58 SER HA H 58 5.138 5.138 4.432 0.706 25969 970 1 2 . 1 1 58 58 SER C C 58 175.866 175.866 175.230 0.636 25969 971 1 2 . 1 1 58 58 SER CA C 58 56.084 56.084 59.782 -3.698 25969 972 1 2 . 1 1 58 58 SER CB C 58 63.977 63.977 63.529 0.449 25969 973 1 2 . 1 1 58 58 SER H H 58 8.559 8.559 8.481 0.078 25969 974 1 2 . 1 1 59 59 GLY N N 59 116.880 116.880 107.935 8.945 25969 975 1 2 . 1 1 59 59 GLY C C 59 172.257 172.257 174.142 -1.885 25969 976 1 2 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.352 -1.650 25969 977 1 2 . 1 1 59 59 GLY H H 59 8.919 8.919 8.241 0.678 25969 978 1 2 . 1 1 60 60 GLN N N 60 121.745 121.745 118.896 2.849 25969 979 1 2 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.500 -0.109 25969 980 1 2 . 1 1 60 60 GLN C C 60 177.222 177.222 177.226 -0.004 25969 981 1 2 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.092 -0.086 25969 982 1 2 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.245 -0.403 25969 983 1 2 . 1 1 60 60 GLN H H 60 8.575 8.575 8.444 0.131 25969 984 1 2 . 1 1 61 61 ALA N N 61 128.305 128.305 126.014 2.291 25969 985 1 2 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.934 -0.535 25969 986 1 2 . 1 1 61 61 ALA C C 61 178.704 178.704 179.529 -0.825 25969 987 1 2 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.609 0.680 25969 988 1 2 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.755 -1.823 25969 989 1 2 . 1 1 61 61 ALA H H 61 8.576 8.576 8.054 0.522 25969 990 1 2 . 1 1 62 62 LYS N N 62 114.337 114.337 118.380 -4.043 25969 991 1 2 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.211 -0.035 25969 992 1 2 . 1 1 62 62 LYS C C 62 177.327 177.327 177.128 0.199 25969 993 1 2 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.608 0.468 25969 994 1 2 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.551 -0.256 25969 995 1 2 . 1 1 62 62 LYS H H 62 8.272 8.272 8.071 0.201 25969 996 1 2 . 1 1 63 63 GLY N N 63 107.059 107.059 109.044 -1.985 25969 997 1 2 . 1 1 63 63 GLY C C 63 173.759 173.759 173.323 0.436 25969 998 1 2 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.393 0.392 25969 999 1 2 . 1 1 63 63 GLY H H 63 7.813 7.813 8.112 -0.299 25969 1000 1 2 . 1 1 64 64 ILE N N 64 122.496 122.496 121.371 1.125 25969 1001 1 2 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.358 0.098 25969 1002 1 2 . 1 1 64 64 ILE C C 64 176.033 176.033 176.355 -0.322 25969 1003 1 2 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.712 0.831 25969 1004 1 2 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.371 -2.400 25969 1005 1 2 . 1 1 64 64 ILE H H 64 7.256 7.256 7.578 -0.322 25969 1006 1 2 . 1 1 65 65 LEU N N 65 128.858 128.858 123.853 5.005 25969 1007 1 2 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.156 0.097 25969 1008 1 2 . 1 1 65 65 LEU C C 65 178.203 178.203 176.316 1.887 25969 1009 1 2 . 1 1 65 65 LEU CA C 65 55.538 55.538 55.978 -0.441 25969 1010 1 2 . 1 1 65 65 LEU CB C 65 42.536 42.536 42.022 0.514 25969 1011 1 2 . 1 1 65 65 LEU H H 65 8.417 8.417 8.193 0.224 25969 1012 1 2 . 1 1 66 66 GLU N N 66 119.109 119.109 121.919 -2.810 25969 1013 1 2 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.679 -0.438 25969 1014 1 2 . 1 1 66 66 GLU C C 66 177.436 177.436 176.476 0.960 25969 1015 1 2 . 1 1 66 66 GLU CA C 66 57.258 57.258 55.940 1.318 25969 1016 1 2 . 1 1 66 66 GLU CB C 66 29.099 29.099 32.130 -3.031 25969 1017 1 2 . 1 1 66 66 GLU H H 66 8.590 8.590 8.390 0.200 25969 1018 1 2 . 1 1 67 67 GLY N N 67 108.490 108.490 111.667 -3.177 25969 1019 1 2 . 1 1 67 67 GLY C C 67 173.551 173.551 173.321 0.230 25969 1020 1 2 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.645 0.476 25969 1021 1 2 . 1 1 67 67 GLY H H 67 9.498 9.498 8.839 0.659 25969 1022 1 2 . 1 1 68 68 LYS N N 68 117.773 117.773 119.390 -1.617 25969 1023 1 2 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.436 0.360 25969 1024 1 2 . 1 1 68 68 LYS C C 68 175.637 175.637 174.369 1.268 25969 1025 1 2 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.558 -0.289 25969 1026 1 2 . 1 1 68 68 LYS CB C 68 35.702 35.702 35.119 0.583 25969 1027 1 2 . 1 1 68 68 LYS H H 68 7.604 7.604 7.487 0.117 25969 1028 1 2 . 1 1 69 69 PHE N N 69 114.518 114.518 122.575 -8.057 25969 1029 1 2 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.498 -0.026 25969 1030 1 2 . 1 1 69 69 PHE C C 69 172.591 172.591 173.855 -1.264 25969 1031 1 2 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.540 3.538 25969 1032 1 2 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.623 0.754 25969 1033 1 2 . 1 1 69 69 PHE H H 69 8.439 8.439 8.698 -0.259 25969 1034 1 2 . 1 1 70 70 THR N N 70 115.260 115.260 117.842 -2.582 25969 1035 1 2 . 1 1 70 70 THR HA H 70 4.602 4.602 4.619 -0.017 25969 1036 1 2 . 1 1 70 70 THR C C 70 172.508 172.508 172.677 -0.169 25969 1037 1 2 . 1 1 70 70 THR CA C 70 62.484 62.484 61.762 0.722 25969 1038 1 2 . 1 1 70 70 THR CB C 70 71.367 71.367 71.877 -0.510 25969 1039 1 2 . 1 1 70 70 THR H H 70 8.474 8.474 8.542 -0.068 25969 1040 1 2 . 1 1 71 71 LEU N N 71 128.144 128.144 123.142 5.002 25969 1041 1 2 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.769 -0.261 25969 1042 1 2 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.509 0.426 25969 1043 1 2 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.724 1.131 25969 1044 1 2 . 1 1 71 71 LEU H H 71 9.284 9.284 8.070 1.214 25969 1045 1 2 . 1 1 72 72 LYS N N 72 122.603 122.603 121.228 1.375 25969 1046 1 2 . 1 1 72 72 LYS HA H 72 5.388 5.388 5.018 0.370 25969 1047 1 2 . 1 1 72 72 LYS C C 72 171.972 171.972 175.086 -3.114 25969 1048 1 2 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.472 -0.070 25969 1049 1 2 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.129 3.463 25969 1050 1 2 . 1 1 72 72 LYS H H 72 9.123 9.123 7.871 1.252 25969 1051 1 2 . 1 1 73 73 ALA N N 73 128.927 128.927 129.655 -0.728 25969 1052 1 2 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.330 0.521 25969 1053 1 2 . 1 1 73 73 ALA C C 73 175.324 175.324 175.879 -0.555 25969 1054 1 2 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.969 -0.843 25969 1055 1 2 . 1 1 73 73 ALA CB C 73 21.476 21.476 21.758 -0.282 25969 1056 1 2 . 1 1 73 73 ALA H H 73 9.178 9.178 8.987 0.191 25969 1057 1 2 . 1 1 74 74 VAL N N 74 123.425 123.425 120.543 2.882 25969 1058 1 2 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.081 0.058 25969 1059 1 2 . 1 1 74 74 VAL C C 74 173.425 173.425 174.563 -1.138 25969 1060 1 2 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.141 0.709 25969 1061 1 2 . 1 1 74 74 VAL CB C 74 35.768 35.768 35.986 -0.218 25969 1062 1 2 . 1 1 74 74 VAL H H 74 8.727 8.727 8.781 -0.054 25969 1063 1 2 . 1 1 75 75 ALA N N 75 130.762 130.762 128.081 2.681 25969 1064 1 2 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.336 0.322 25969 1065 1 2 . 1 1 75 75 ALA C C 75 177.327 177.327 178.763 -1.436 25969 1066 1 2 . 1 1 75 75 ALA CA C 75 53.200 53.200 51.897 1.304 25969 1067 1 2 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.912 0.694 25969 1068 1 2 . 1 1 75 75 ALA H H 75 9.164 9.164 7.404 1.760 25969 1069 1 2 . 1 1 76 76 LEU N N 76 119.175 119.175 123.375 -4.200 25969 1070 1 2 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.069 -0.275 25969 1071 1 2 . 1 1 76 76 LEU C C 76 178.036 178.036 177.950 0.086 25969 1072 1 2 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.206 1.070 25969 1073 1 2 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.173 -0.327 25969 1074 1 2 . 1 1 76 76 LEU H H 76 8.269 8.269 8.799 -0.530 25969 1075 1 2 . 1 1 77 77 ASP N N 77 115.777 115.777 115.122 0.655 25969 1076 1 2 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.823 -0.027 25969 1077 1 2 . 1 1 77 77 ASP C C 77 176.012 176.012 176.651 -0.639 25969 1078 1 2 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.888 -2.157 25969 1079 1 2 . 1 1 77 77 ASP CB C 77 40.176 40.176 39.830 0.346 25969 1080 1 2 . 1 1 77 77 ASP H H 77 7.715 7.715 8.191 -0.476 25969 1081 1 2 . 1 1 78 78 ARG N N 78 122.846 122.846 119.896 2.950 25969 1082 1 2 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.086 -0.003 25969 1083 1 2 . 1 1 78 78 ARG C C 78 177.869 177.869 176.903 0.966 25969 1084 1 2 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.422 -1.014 25969 1085 1 2 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.382 0.242 25969 1086 1 2 . 1 1 78 78 ARG H H 78 8.408 8.408 7.283 1.125 25969 1087 1 2 . 1 1 79 79 GLU N N 79 118.091 118.091 118.498 -0.407 25969 1088 1 2 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.039 -0.020 25969 1089 1 2 . 1 1 79 79 GLU C C 79 177.930 177.930 177.238 0.692 25969 1090 1 2 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.527 -0.203 25969 1091 1 2 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.282 -0.148 25969 1092 1 2 . 1 1 79 79 GLU H H 79 7.888 7.888 8.282 -0.394 25969 1093 1 2 . 1 1 80 80 ALA N N 80 120.528 120.528 119.277 1.251 25969 1094 1 2 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.451 -0.349 25969 1095 1 2 . 1 1 80 80 ALA C C 80 178.142 178.142 176.372 1.770 25969 1096 1 2 . 1 1 80 80 ALA CA C 80 53.067 53.067 53.084 -0.017 25969 1097 1 2 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.722 -1.450 25969 1098 1 2 . 1 1 80 80 ALA H H 80 7.175 7.175 8.169 -0.994 25969 1099 1 2 . 1 1 81 81 GLU N N 81 115.377 115.377 117.345 -1.968 25969 1100 1 2 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.892 -0.130 25969 1101 1 2 . 1 1 81 81 GLU C C 81 171.047 171.047 174.934 -3.887 25969 1102 1 2 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.493 -0.295 25969 1103 1 2 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.203 1.490 25969 1104 1 2 . 1 1 81 81 GLU H H 81 7.457 7.457 7.644 -0.187 25969 1105 1 2 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.216 0.481 25969 1106 1 2 . 1 1 82 82 PRO C C 82 177.636 177.636 177.078 0.558 25969 1107 1 2 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.682 -1.091 25969 1108 1 2 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.981 0.851 25969 1109 1 2 . 1 1 83 83 ARG N N 83 118.488 118.488 117.481 1.007 25969 1110 1 2 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.464 0.110 25969 1111 1 2 . 1 1 83 83 ARG C C 83 176.870 176.870 175.527 1.343 25969 1112 1 2 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.618 -0.574 25969 1113 1 2 . 1 1 83 83 ARG CB C 83 31.176 31.176 31.013 0.163 25969 1114 1 2 . 1 1 83 83 ARG H H 83 8.554 8.554 8.141 0.413 25969 1115 1 2 . 1 1 84 84 VAL N N 84 111.376 111.376 116.843 -5.467 25969 1116 1 2 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.020 0.007 25969 1117 1 2 . 1 1 84 84 VAL C C 84 174.302 174.302 174.392 -0.090 25969 1118 1 2 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.840 -1.297 25969 1119 1 2 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.835 -0.145 25969 1120 1 2 . 1 1 84 84 VAL H H 84 8.304 8.304 8.410 -0.106 25969 1121 1 2 . 1 1 85 85 LEU N N 85 122.000 122.000 122.532 -0.532 25969 1122 1 2 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.223 0.105 25969 1123 1 2 . 1 1 85 85 LEU C C 85 175.491 175.491 174.280 1.211 25969 1124 1 2 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.194 -0.328 25969 1125 1 2 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.826 0.296 25969 1126 1 2 . 1 1 85 85 LEU H H 85 8.095 8.095 8.997 -0.902 25969 1127 1 2 . 1 1 86 86 ARG N N 86 119.409 119.409 121.414 -2.005 25969 1128 1 2 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.321 0.149 25969 1129 1 2 . 1 1 86 86 ARG C C 86 174.928 174.928 173.406 1.522 25969 1130 1 2 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.835 -0.633 25969 1131 1 2 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.305 1.330 25969 1132 1 2 . 1 1 86 86 ARG H H 86 8.851 8.851 8.230 0.621 25969 1133 1 2 . 1 1 87 87 LEU N N 87 122.550 122.550 123.916 -1.366 25969 1134 1 2 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.070 0.004 25969 1135 1 2 . 1 1 87 87 LEU C C 87 174.406 174.406 174.359 0.047 25969 1136 1 2 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.940 1.064 25969 1137 1 2 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.409 1.715 25969 1138 1 2 . 1 1 87 87 LEU H H 87 8.798 8.798 8.037 0.761 25969 1139 1 2 . 1 1 88 88 ASN N N 88 125.347 125.347 123.654 1.693 25969 1140 1 2 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.451 -0.028 25969 1141 1 2 . 1 1 88 88 ASN C C 88 176.576 176.576 176.853 -0.277 25969 1142 1 2 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.241 -0.378 25969 1143 1 2 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.165 0.412 25969 1144 1 2 . 1 1 88 88 ASN H H 88 7.376 7.376 8.228 -0.852 25969 1145 1 2 . 1 1 89 89 GLU N N 89 114.953 114.953 118.660 -3.707 25969 1146 1 2 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.266 -0.870 25969 1147 1 2 . 1 1 89 89 GLU C C 89 176.684 176.684 176.775 -0.091 25969 1148 1 2 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.996 -0.456 25969 1149 1 2 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.802 -0.931 25969 1150 1 2 . 1 1 89 89 GLU H H 89 7.586 7.586 8.330 -0.744 25969 1151 1 2 . 1 1 90 90 SER N N 90 117.110 117.110 114.431 2.679 25969 1152 1 2 . 1 1 90 90 SER HA H 90 4.442 4.442 4.436 0.006 25969 1153 1 2 . 1 1 90 90 SER C C 90 174.051 174.051 174.805 -0.754 25969 1154 1 2 . 1 1 90 90 SER CA C 90 58.895 58.895 58.534 0.361 25969 1155 1 2 . 1 1 90 90 SER CB C 90 63.886 63.886 63.779 0.107 25969 1156 1 2 . 1 1 90 90 SER H H 90 7.385 7.385 7.684 -0.299 25969 1157 1 2 . 1 1 91 91 LEU N N 91 116.559 116.559 118.541 -1.982 25969 1158 1 2 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.035 -0.338 25969 1159 1 2 . 1 1 91 91 LEU C C 91 175.825 175.825 175.683 0.142 25969 1160 1 2 . 1 1 91 91 LEU CA C 91 56.042 56.042 56.123 -0.081 25969 1161 1 2 . 1 1 91 91 LEU CB C 91 37.705 37.705 38.532 -0.827 25969 1162 1 2 . 1 1 91 91 LEU H H 91 8.704 8.704 8.002 0.702 25969 1163 1 2 . 1 1 92 92 THR N N 92 115.529 115.529 115.835 -0.306 25969 1164 1 2 . 1 1 92 92 THR HA H 92 4.254 4.254 4.402 -0.148 25969 1165 1 2 . 1 1 92 92 THR C C 92 173.425 173.425 172.913 0.512 25969 1166 1 2 . 1 1 92 92 THR CA C 92 62.617 62.617 62.651 -0.035 25969 1167 1 2 . 1 1 92 92 THR CB C 92 69.096 69.096 69.772 -0.675 25969 1168 1 2 . 1 1 92 92 THR H H 92 7.704 7.704 8.485 -0.781 25969 1169 1 2 . 1 1 93 93 ALA N N 93 130.459 130.459 131.283 -0.824 25969 1170 1 2 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.463 0.224 25969 1171 1 2 . 1 1 93 93 ALA C C 93 177.201 177.201 175.416 1.785 25969 1172 1 2 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.508 0.754 25969 1173 1 2 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.083 -0.273 25969 1174 1 2 . 1 1 93 93 ALA H H 93 9.002 9.002 8.424 0.578 25969 1175 1 2 . 1 1 94 94 VAL N N 94 117.872 117.872 120.509 -2.637 25969 1176 1 2 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.750 0.154 25969 1177 1 2 . 1 1 94 94 VAL C C 94 173.613 173.613 173.775 -0.162 25969 1178 1 2 . 1 1 94 94 VAL CA C 94 59.679 59.679 61.336 -1.657 25969 1179 1 2 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.361 -0.325 25969 1180 1 2 . 1 1 94 94 VAL H H 94 8.833 8.833 8.284 0.549 25969 1181 1 2 . 1 1 95 95 VAL N N 95 121.842 121.842 127.563 -5.721 25969 1182 1 2 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.941 0.312 25969 1183 1 2 . 1 1 95 95 VAL C C 95 174.552 174.552 173.610 0.942 25969 1184 1 2 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.378 -0.436 25969 1185 1 2 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.231 0.669 25969 1186 1 2 . 1 1 95 95 VAL H H 95 9.286 9.286 8.699 0.587 25969 1187 1 2 . 1 1 96 96 CYS N N 96 126.839 126.839 124.319 2.520 25969 1188 1 2 . 1 1 96 96 CYS HA H 96 5.423 5.423 4.999 0.424 25969 1189 1 2 . 1 1 96 96 CYS C C 96 174.135 174.135 175.421 -1.286 25969 1190 1 2 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.971 -3.702 25969 1191 1 2 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.897 15.558 25969 1192 1 2 . 1 1 96 96 CYS H H 96 9.452 9.452 9.011 0.441 25969 1193 1 2 . 1 1 97 97 GLY N N 97 109.718 109.718 108.924 0.794 25969 1194 1 2 . 1 1 97 97 GLY C C 97 172.639 172.639 173.297 -0.658 25969 1195 1 2 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.534 0.854 25969 1196 1 2 . 1 1 97 97 GLY H H 97 8.355 8.355 8.688 -0.333 25969 1197 1 2 . 1 1 98 98 LYS N N 98 114.844 114.844 119.725 -4.881 25969 1198 1 2 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.652 0.092 25969 1199 1 2 . 1 1 98 98 LYS C C 98 174.051 174.051 174.225 -0.174 25969 1200 1 2 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.169 -0.833 25969 1201 1 2 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.428 0.100 25969 1202 1 2 . 1 1 98 98 LYS H H 98 7.632 7.632 7.909 -0.277 25969 1203 1 2 . 1 1 99 99 MET N N 99 124.801 124.801 127.261 -2.460 25969 1204 1 2 . 1 1 99 99 MET HA H 99 5.017 5.017 4.796 0.221 25969 1205 1 2 . 1 1 99 99 MET C C 99 176.337 176.337 174.801 1.536 25969 1206 1 2 . 1 1 99 99 MET CA C 99 54.803 54.803 55.035 -0.232 25969 1207 1 2 . 1 1 99 99 MET CB C 99 34.646 34.646 34.462 0.184 25969 1208 1 2 . 1 1 99 99 MET H H 99 8.759 8.759 8.908 -0.149 25969 1209 1 2 . 1 1 100 100 LYS N N 100 126.252 126.252 126.125 0.127 25969 1210 1 2 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.249 0.127 25969 1211 1 2 . 1 1 100 100 LYS C C 100 177.222 177.222 177.177 0.045 25969 1212 1 2 . 1 1 100 100 LYS CA C 100 56.455 56.455 58.245 -1.790 25969 1213 1 2 . 1 1 100 100 LYS CB C 100 32.429 32.429 32.839 -0.410 25969 1214 1 2 . 1 1 100 100 LYS H H 100 8.602 8.602 8.128 0.474 25969 1215 1 2 . 1 1 101 101 GLY N N 101 108.944 108.944 105.880 3.064 25969 1216 1 2 . 1 1 101 101 GLY C C 101 173.613 173.613 174.422 -0.809 25969 1217 1 2 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.583 0.002 25969 1218 1 2 . 1 1 101 101 GLY H H 101 8.385 8.385 7.891 0.494 25969 1219 1 2 . 1 1 102 102 LYS N N 102 118.594 118.594 119.883 -1.289 25969 1220 1 2 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.055 0.359 25969 1221 1 2 . 1 1 102 102 LYS C C 102 176.867 176.867 176.800 0.067 25969 1222 1 2 . 1 1 102 102 LYS CA C 102 55.872 55.872 58.016 -2.144 25969 1223 1 2 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.558 1.465 25969 1224 1 2 . 1 1 102 102 LYS H H 102 8.436 8.436 8.340 0.096 25969 1225 1 2 . 1 1 103 103 GLY N N 103 110.581 110.581 108.047 2.534 25969 1226 1 2 . 1 1 103 103 GLY C C 103 171.631 171.631 172.491 -0.860 25969 1227 1 2 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.943 0.977 25969 1228 1 2 . 1 1 103 103 GLY H H 103 8.443 8.443 7.687 0.756 25969 1229 1 2 . 1 1 104 104 SER N N 104 113.710 113.710 116.052 -2.342 25969 1230 1 2 . 1 1 104 104 SER HA H 104 4.697 4.697 4.804 -0.107 25969 1231 1 2 . 1 1 104 104 SER C C 104 174.680 174.680 174.505 0.175 25969 1232 1 2 . 1 1 104 104 SER CA C 104 57.331 57.331 56.780 0.551 25969 1233 1 2 . 1 1 104 104 SER CB C 104 66.178 66.178 66.076 0.102 25969 1234 1 2 . 1 1 104 104 SER H H 104 8.535 8.535 8.273 0.262 25969 1235 1 2 . 1 1 105 105 CYS N N 105 118.835 118.835 122.052 -3.217 25969 1236 1 2 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.361 0.251 25969 1237 1 2 . 1 1 105 105 CYS C C 105 176.502 176.502 175.952 0.550 25969 1238 1 2 . 1 1 105 105 CYS CA C 105 57.136 57.136 59.851 -2.715 25969 1239 1 2 . 1 1 105 105 CYS CB C 105 40.412 40.412 26.638 13.774 25969 1240 1 2 . 1 1 105 105 CYS H H 105 10.009 10.009 9.035 0.974 25969 1241 1 2 . 1 1 106 106 THR N N 106 107.957 107.957 108.710 -0.753 25969 1242 1 2 . 1 1 106 106 THR HA H 106 4.574 4.574 3.963 0.611 25969 1243 1 2 . 1 1 106 106 THR C C 106 175.178 175.178 173.425 1.753 25969 1244 1 2 . 1 1 106 106 THR CA C 106 61.014 61.014 64.375 -3.361 25969 1245 1 2 . 1 1 106 106 THR CB C 106 68.495 68.495 67.785 0.710 25969 1246 1 2 . 1 1 106 106 THR H H 106 8.030 8.030 8.432 -0.402 25969 1247 1 2 . 1 1 107 107 ASP N N 107 120.763 120.763 121.606 -0.843 25969 1248 1 2 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.748 -0.428 25969 1249 1 2 . 1 1 107 107 ASP C C 107 177.264 177.264 176.812 0.452 25969 1250 1 2 . 1 1 107 107 ASP CA C 107 55.004 55.004 55.112 -0.108 25969 1251 1 2 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.546 -2.702 25969 1252 1 2 . 1 1 107 107 ASP H H 107 7.531 7.531 7.697 -0.166 25969 1253 1 2 . 1 1 108 108 GLY N N 108 108.602 108.602 109.065 -0.463 25969 1254 1 2 . 1 1 108 108 GLY C C 108 174.698 174.698 173.597 1.101 25969 1255 1 2 . 1 1 108 108 GLY CA C 108 45.653 45.653 45.330 0.324 25969 1256 1 2 . 1 1 108 108 GLY H H 108 8.591 8.591 7.638 0.953 25969 1257 1 2 . 1 1 109 109 GLU N N 109 120.191 120.191 121.218 -1.027 25969 1258 1 2 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.217 0.235 25969 1259 1 2 . 1 1 109 109 GLU C C 109 176.472 176.472 176.377 0.095 25969 1260 1 2 . 1 1 109 109 GLU CA C 109 55.678 55.678 57.581 -1.903 25969 1261 1 2 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.317 0.567 25969 1262 1 2 . 1 1 109 109 GLU H H 109 8.292 8.292 8.256 0.036 25969 1263 1 2 . 1 1 110 110 GLU N N 110 116.857 116.857 120.118 -3.261 25969 1264 1 2 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.271 -0.055 25969 1265 1 2 . 1 1 110 110 GLU C C 110 176.381 176.381 175.198 1.183 25969 1266 1 2 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.799 0.337 25969 1267 1 2 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.369 -0.096 25969 1268 1 2 . 1 1 110 110 GLU H H 110 9.028 9.028 8.684 0.344 25969 1269 1 2 . 1 1 111 111 ILE N N 111 109.164 109.164 114.505 -5.341 25969 1270 1 2 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.975 -0.140 25969 1271 1 2 . 1 1 111 111 ILE C C 111 176.868 176.868 174.365 2.503 25969 1272 1 2 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.506 -0.364 25969 1273 1 2 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.578 1.537 25969 1274 1 2 . 1 1 111 111 ILE H H 111 7.022 7.022 7.338 -0.316 25969 1275 1 2 . 1 1 112 112 PHE N N 112 118.509 118.509 123.252 -4.743 25969 1276 1 2 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.890 0.222 25969 1277 1 2 . 1 1 112 112 PHE C C 112 174.171 174.171 173.453 0.718 25969 1278 1 2 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.947 1.844 25969 1279 1 2 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.727 3.132 25969 1280 1 2 . 1 1 112 112 PHE H H 112 8.605 8.605 8.049 0.556 25969 1281 1 2 . 1 1 113 113 ARG N N 113 119.908 119.908 122.739 -2.831 25969 1282 1 2 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.395 0.377 25969 1283 1 2 . 1 1 113 113 ARG C C 113 176.930 176.930 174.447 2.483 25969 1284 1 2 . 1 1 113 113 ARG CA C 113 55.404 55.404 54.862 0.542 25969 1285 1 2 . 1 1 113 113 ARG CB C 113 33.431 33.431 32.659 0.772 25969 1286 1 2 . 1 1 113 113 ARG H H 113 9.352 9.352 7.580 1.772 25969 1287 1 2 . 1 1 114 114 GLY N N 114 109.477 109.477 112.864 -3.387 25969 1288 1 2 . 1 1 114 114 GLY C C 114 173.738 173.738 172.529 1.209 25969 1289 1 2 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.007 -0.556 25969 1290 1 2 . 1 1 114 114 GLY H H 114 8.467 8.467 8.423 0.044 25969 1291 1 2 . 1 1 115 115 ASN N N 115 119.193 119.193 121.305 -2.112 25969 1292 1 2 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.962 -0.228 25969 1293 1 2 . 1 1 115 115 ASN C C 115 173.530 173.530 173.774 -0.244 25969 1294 1 2 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.378 0.355 25969 1295 1 2 . 1 1 115 115 ASN CB C 115 39.642 39.642 40.624 -0.983 25969 1296 1 2 . 1 1 115 115 ASN H H 115 8.523 8.523 8.481 0.042 25969 1297 1 2 . 1 1 116 116 ASP N N 116 120.602 120.602 123.071 -2.469 25969 1298 1 2 . 1 1 116 116 ASP HA H 116 5.083 5.083 4.886 0.197 25969 1299 1 2 . 1 1 116 116 ASP C C 116 174.030 174.030 174.423 -0.393 25969 1300 1 2 . 1 1 116 116 ASP CA C 116 54.269 54.269 53.015 1.254 25969 1301 1 2 . 1 1 116 116 ASP CB C 116 43.983 43.983 42.389 1.594 25969 1302 1 2 . 1 1 116 116 ASP H H 116 8.098 8.098 8.482 -0.384 25969 1303 1 2 . 1 1 117 117 ALA N N 117 123.146 123.146 121.582 1.564 25969 1304 1 2 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.523 0.193 25969 1305 1 2 . 1 1 117 117 ALA C C 117 175.345 175.345 176.084 -0.739 25969 1306 1 2 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.707 -0.245 25969 1307 1 2 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.740 1.405 25969 1308 1 2 . 1 1 117 117 ALA H H 117 8.979 8.979 8.311 0.668 25969 1309 1 2 . 1 1 118 118 GLU N N 118 115.917 115.917 115.855 0.062 25969 1310 1 2 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.995 -0.100 25969 1311 1 2 . 1 1 118 118 GLU C C 118 177.181 177.181 174.768 2.413 25969 1312 1 2 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.491 -1.133 25969 1313 1 2 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.280 -0.528 25969 1314 1 2 . 1 1 118 118 GLU H H 118 8.829 8.829 8.766 0.063 25969 1315 1 2 . 1 1 119 119 CYS N N 119 119.476 119.476 116.595 2.881 25969 1316 1 2 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.412 0.058 25969 1317 1 2 . 1 1 119 119 CYS C C 119 174.738 174.738 174.627 0.111 25969 1318 1 2 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.162 -0.998 25969 1319 1 2 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.422 13.036 25969 1320 1 2 . 1 1 119 119 CYS H H 119 8.671 8.671 8.140 0.531 25969 1321 1 2 . 1 1 120 120 ARG N N 120 123.444 123.444 121.850 1.594 25969 1322 1 2 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.013 -0.088 25969 1323 1 2 . 1 1 120 120 ARG C C 120 172.028 172.028 173.186 -1.158 25969 1324 1 2 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.027 0.641 25969 1325 1 2 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.651 0.909 25969 1326 1 2 . 1 1 120 120 ARG H H 120 9.238 9.238 9.160 0.078 25969 1327 1 2 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.714 -0.168 25969 1328 1 2 . 1 1 121 121 PRO C C 121 176.138 176.138 175.451 0.687 25969 1329 1 2 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.099 0.921 25969 1330 1 2 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.967 0.195 25969 1331 1 2 . 1 1 122 122 PHE N N 122 124.392 124.392 124.810 -0.418 25969 1332 1 2 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.790 -0.084 25969 1333 1 2 . 1 1 122 122 PHE C C 122 175.032 175.032 174.416 0.616 25969 1334 1 2 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.190 1.218 25969 1335 1 2 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.910 -2.533 25969 1336 1 2 . 1 1 122 122 PHE H H 122 8.335 8.335 8.674 -0.339 25969 1337 1 2 . 1 1 123 123 THR N N 123 118.912 118.912 114.856 4.056 25969 1338 1 2 . 1 1 123 123 THR HA H 123 4.140 4.140 4.603 -0.463 25969 1339 1 2 . 1 1 123 123 THR C C 123 173.071 173.071 173.660 -0.589 25969 1340 1 2 . 1 1 123 123 THR CA C 123 60.948 60.948 59.479 1.469 25969 1341 1 2 . 1 1 123 123 THR CB C 123 69.430 69.430 70.546 -1.116 25969 1342 1 2 . 1 1 123 123 THR H H 123 8.146 8.146 7.848 0.298 25969 1343 1 3 . 1 1 7 7 ARG N N 7 122.494 122.494 123.855 -1.361 25969 1344 1 3 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.512 -0.162 25969 1345 1 3 . 1 1 7 7 ARG C C 7 177.037 177.037 175.716 1.321 25969 1346 1 3 . 1 1 7 7 ARG CA C 7 56.724 56.724 54.925 1.800 25969 1347 1 3 . 1 1 7 7 ARG CB C 7 30.881 30.881 30.683 0.198 25969 1348 1 3 . 1 1 7 7 ARG H H 7 8.649 8.649 8.485 0.164 25969 1349 1 3 . 1 1 8 8 SER N N 8 117.535 117.535 116.983 0.552 25969 1350 1 3 . 1 1 8 8 SER HA H 8 4.384 4.384 4.285 0.099 25969 1351 1 3 . 1 1 8 8 SER C C 8 174.613 174.613 174.377 0.236 25969 1352 1 3 . 1 1 8 8 SER CA C 8 59.412 59.412 59.529 -0.117 25969 1353 1 3 . 1 1 8 8 SER CB C 8 63.686 63.686 62.256 1.430 25969 1354 1 3 . 1 1 8 8 SER H H 8 8.522 8.522 8.354 0.168 25969 1355 1 3 . 1 1 9 9 ALA N N 9 126.336 126.336 127.115 -0.779 25969 1356 1 3 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.692 -0.227 25969 1357 1 3 . 1 1 9 9 ALA C C 9 178.349 178.349 178.605 -0.256 25969 1358 1 3 . 1 1 9 9 ALA CA C 9 53.067 53.067 51.806 1.261 25969 1359 1 3 . 1 1 9 9 ALA CB C 9 18.914 18.914 20.194 -1.280 25969 1360 1 3 . 1 1 9 9 ALA H H 9 8.415 8.415 7.735 0.680 25969 1361 1 3 . 1 1 10 10 ASN N N 10 121.438 121.438 118.511 2.927 25969 1362 1 3 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.752 -0.066 25969 1363 1 3 . 1 1 10 10 ASN C C 10 175.571 175.571 176.115 -0.544 25969 1364 1 3 . 1 1 10 10 ASN CA C 10 53.247 53.247 52.814 0.433 25969 1365 1 3 . 1 1 10 10 ASN CB C 10 39.125 39.125 37.182 1.943 25969 1366 1 3 . 1 1 10 10 ASN H H 10 9.263 9.263 9.135 0.128 25969 1367 1 3 . 1 1 11 11 LEU N N 11 125.021 125.021 121.014 4.007 25969 1368 1 3 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.916 0.705 25969 1369 1 3 . 1 1 11 11 LEU C C 11 178.567 178.567 177.876 0.691 25969 1370 1 3 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.162 1.724 25969 1371 1 3 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.385 0.875 25969 1372 1 3 . 1 1 11 11 LEU H H 11 8.560 8.560 7.824 0.736 25969 1373 1 3 . 1 1 12 12 ARG N N 12 117.977 117.977 117.855 0.122 25969 1374 1 3 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.081 0.053 25969 1375 1 3 . 1 1 12 12 ARG C C 12 179.350 179.350 178.459 0.891 25969 1376 1 3 . 1 1 12 12 ARG CA C 12 60.347 60.347 57.961 2.386 25969 1377 1 3 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.640 1.050 25969 1378 1 3 . 1 1 12 12 ARG H H 12 8.114 8.114 8.294 -0.180 25969 1379 1 3 . 1 1 13 13 ALA N N 13 123.280 123.280 121.540 1.740 25969 1380 1 3 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.283 -0.070 25969 1381 1 3 . 1 1 13 13 ALA C C 13 180.957 180.957 179.167 1.790 25969 1382 1 3 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.500 -0.098 25969 1383 1 3 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.392 -0.523 25969 1384 1 3 . 1 1 13 13 ALA H H 13 7.871 7.871 8.087 -0.216 25969 1385 1 3 . 1 1 14 14 ALA N N 14 122.111 122.111 121.533 0.578 25969 1386 1 3 . 1 1 14 14 ALA HA H 14 3.705 3.705 4.124 -0.419 25969 1387 1 3 . 1 1 14 14 ALA C C 14 178.578 178.578 179.521 -0.943 25969 1388 1 3 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.657 0.747 25969 1389 1 3 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.737 -0.477 25969 1390 1 3 . 1 1 14 14 ALA H H 14 7.930 7.930 7.044 0.886 25969 1391 1 3 . 1 1 15 15 HIS N N 15 118.502 118.502 117.400 1.102 25969 1392 1 3 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.158 -0.382 25969 1393 1 3 . 1 1 15 15 HIS C C 15 176.304 176.304 177.254 -0.950 25969 1394 1 3 . 1 1 15 15 HIS CA C 15 60.031 60.031 60.084 -0.053 25969 1395 1 3 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.766 1.604 25969 1396 1 3 . 1 1 15 15 HIS H H 15 8.422 8.422 8.887 -0.465 25969 1397 1 3 . 1 1 16 16 ALA N N 16 120.116 120.116 119.562 0.554 25969 1398 1 3 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.323 -0.469 25969 1399 1 3 . 1 1 16 16 ALA C C 16 180.644 180.644 178.710 1.934 25969 1400 1 3 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.782 1.688 25969 1401 1 3 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.770 -0.968 25969 1402 1 3 . 1 1 16 16 ALA H H 16 7.980 7.980 7.940 0.040 25969 1403 1 3 . 1 1 17 17 ALA N N 17 121.281 121.281 123.316 -2.035 25969 1404 1 3 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.064 0.112 25969 1405 1 3 . 1 1 17 17 ALA C C 17 180.122 180.122 179.127 0.995 25969 1406 1 3 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.855 -0.386 25969 1407 1 3 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.550 1.590 25969 1408 1 3 . 1 1 17 17 ALA H H 17 7.465 7.465 7.474 -0.009 25969 1409 1 3 . 1 1 18 18 LEU N N 18 120.262 120.262 118.260 2.002 25969 1410 1 3 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.073 -0.266 25969 1411 1 3 . 1 1 18 18 LEU C C 18 178.766 178.766 179.378 -0.612 25969 1412 1 3 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.361 1.383 25969 1413 1 3 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.866 0.845 25969 1414 1 3 . 1 1 18 18 LEU H H 18 8.468 8.468 8.511 -0.043 25969 1415 1 3 . 1 1 19 19 LEU N N 19 119.078 119.078 121.307 -2.229 25969 1416 1 3 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.166 -0.304 25969 1417 1 3 . 1 1 19 19 LEU C C 19 179.517 179.517 178.395 1.122 25969 1418 1 3 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.569 -0.560 25969 1419 1 3 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.052 0.393 25969 1420 1 3 . 1 1 19 19 LEU H H 19 8.029 8.029 7.511 0.518 25969 1421 1 3 . 1 1 20 20 GLU N N 20 121.499 121.499 119.638 1.861 25969 1422 1 3 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.024 0.003 25969 1423 1 3 . 1 1 20 20 GLU C C 20 180.289 180.289 179.238 1.051 25969 1424 1 3 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.520 0.359 25969 1425 1 3 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.393 -0.103 25969 1426 1 3 . 1 1 20 20 GLU H H 20 7.895 7.895 8.613 -0.718 25969 1427 1 3 . 1 1 21 21 ASN N N 21 119.066 119.066 117.994 1.072 25969 1428 1 3 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.700 -0.162 25969 1429 1 3 . 1 1 21 21 ASN C C 21 177.368 177.368 177.089 0.279 25969 1430 1 3 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.985 -0.113 25969 1431 1 3 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.795 1.649 25969 1432 1 3 . 1 1 21 21 ASN H H 21 8.373 8.373 8.390 -0.017 25969 1433 1 3 . 1 1 22 22 ALA N N 22 125.274 125.274 123.803 1.471 25969 1434 1 3 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.046 -0.273 25969 1435 1 3 . 1 1 22 22 ALA C C 22 179.402 179.402 179.935 -0.533 25969 1436 1 3 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.280 0.191 25969 1437 1 3 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.614 -0.394 25969 1438 1 3 . 1 1 22 22 ALA H H 22 8.886 8.886 8.410 0.476 25969 1439 1 3 . 1 1 23 23 ARG N N 23 119.945 119.945 116.991 2.954 25969 1440 1 3 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.200 -0.003 25969 1441 1 3 . 1 1 23 23 ARG C C 23 179.726 179.726 178.520 1.206 25969 1442 1 3 . 1 1 23 23 ARG CA C 23 59.812 59.812 58.833 0.979 25969 1443 1 3 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.788 -0.097 25969 1444 1 3 . 1 1 23 23 ARG H H 23 8.168 8.168 8.367 -0.199 25969 1445 1 3 . 1 1 24 24 PHE N N 24 121.222 121.222 120.480 0.742 25969 1446 1 3 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.380 -0.013 25969 1447 1 3 . 1 1 24 24 PHE C C 24 177.410 177.410 177.926 -0.516 25969 1448 1 3 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.603 -0.255 25969 1449 1 3 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.046 -1.140 25969 1450 1 3 . 1 1 24 24 PHE H H 24 7.658 7.658 7.694 -0.036 25969 1451 1 3 . 1 1 25 25 MET N N 25 120.355 120.355 118.506 1.849 25969 1452 1 3 . 1 1 25 25 MET HA H 25 4.300 4.300 4.643 -0.343 25969 1453 1 3 . 1 1 25 25 MET C C 25 179.371 179.371 178.363 1.008 25969 1454 1 3 . 1 1 25 25 MET CA C 25 55.939 55.939 55.886 0.053 25969 1455 1 3 . 1 1 25 25 MET CB C 25 29.424 29.424 31.310 -1.886 25969 1456 1 3 . 1 1 25 25 MET H H 25 8.358 8.358 9.130 -0.772 25969 1457 1 3 . 1 1 26 26 GLU N N 26 120.164 120.164 120.080 0.084 25969 1458 1 3 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.303 0.035 25969 1459 1 3 . 1 1 26 26 GLU C C 26 179.934 179.934 179.826 0.108 25969 1460 1 3 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.626 0.427 25969 1461 1 3 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.499 -0.015 25969 1462 1 3 . 1 1 26 26 GLU H H 26 8.441 8.441 8.522 -0.081 25969 1463 1 3 . 1 1 27 27 GLN N N 27 121.309 121.309 118.679 2.630 25969 1464 1 3 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.276 -0.144 25969 1465 1 3 . 1 1 27 27 GLN C C 27 178.307 178.307 178.219 0.088 25969 1466 1 3 . 1 1 27 27 GLN CA C 27 58.610 58.610 57.844 0.766 25969 1467 1 3 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.721 -0.633 25969 1468 1 3 . 1 1 27 27 GLN H H 27 8.001 8.001 8.275 -0.274 25969 1469 1 3 . 1 1 28 28 PHE N N 28 124.569 124.569 122.269 2.300 25969 1470 1 3 . 1 1 28 28 PHE HA H 28 3.814 3.814 4.041 -0.227 25969 1471 1 3 . 1 1 28 28 PHE C C 28 177.717 177.717 177.579 0.138 25969 1472 1 3 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.688 0.504 25969 1473 1 3 . 1 1 28 28 PHE CB C 28 39.343 39.343 38.991 0.352 25969 1474 1 3 . 1 1 28 28 PHE H H 28 8.760 8.760 8.379 0.381 25969 1475 1 3 . 1 1 29 29 TYR N N 29 121.726 121.726 119.605 2.121 25969 1476 1 3 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.279 -0.484 25969 1477 1 3 . 1 1 29 29 TYR C C 29 179.079 179.079 176.884 2.195 25969 1478 1 3 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.141 -0.193 25969 1479 1 3 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.850 -0.143 25969 1480 1 3 . 1 1 29 29 TYR H H 29 8.956 8.956 8.538 0.418 25969 1481 1 3 . 1 1 30 30 ALA N N 30 121.142 121.142 120.186 0.956 25969 1482 1 3 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.157 -0.109 25969 1483 1 3 . 1 1 30 30 ALA C C 30 174.781 174.781 178.502 -3.721 25969 1484 1 3 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.243 0.627 25969 1485 1 3 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.311 -0.442 25969 1486 1 3 . 1 1 30 30 ALA H H 30 8.063 8.063 7.754 0.309 25969 1487 1 3 . 1 1 31 31 LYS N N 31 114.745 114.745 115.665 -0.920 25969 1488 1 3 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.234 -0.046 25969 1489 1 3 . 1 1 31 31 LYS C C 31 177.744 177.744 177.241 0.503 25969 1490 1 3 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.497 -0.089 25969 1491 1 3 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.406 -0.231 25969 1492 1 3 . 1 1 31 31 LYS H H 31 7.172 7.172 7.980 -0.808 25969 1493 1 3 . 1 1 32 32 LYS N N 32 117.388 117.388 117.279 0.109 25969 1494 1 3 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.263 -0.150 25969 1495 1 3 . 1 1 32 32 LYS C C 32 177.747 177.747 176.680 1.067 25969 1496 1 3 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.225 -0.420 25969 1497 1 3 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.479 -0.581 25969 1498 1 3 . 1 1 32 32 LYS H H 32 8.154 8.154 7.758 0.396 25969 1499 1 3 . 1 1 33 33 GLY N N 33 109.017 109.017 105.776 3.241 25969 1500 1 3 . 1 1 33 33 GLY C C 33 171.798 171.798 173.478 -1.680 25969 1501 1 3 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.629 0.022 25969 1502 1 3 . 1 1 33 33 GLY H H 33 8.945 8.945 8.283 0.662 25969 1503 1 3 . 1 1 34 34 SER N N 34 110.165 110.165 114.165 -4.000 25969 1504 1 3 . 1 1 34 34 SER HA H 34 4.136 4.136 5.241 -1.105 25969 1505 1 3 . 1 1 34 34 SER C C 34 172.862 172.862 173.348 -0.486 25969 1506 1 3 . 1 1 34 34 SER CA C 34 56.673 56.673 58.180 -1.507 25969 1507 1 3 . 1 1 34 34 SER CB C 34 64.621 64.621 65.944 -1.323 25969 1508 1 3 . 1 1 34 34 SER H H 34 6.756 6.756 7.842 -1.086 25969 1509 1 3 . 1 1 35 35 PHE N N 35 121.132 121.132 121.628 -0.496 25969 1510 1 3 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.833 0.281 25969 1511 1 3 . 1 1 35 35 PHE C C 35 172.888 172.888 175.843 -2.955 25969 1512 1 3 . 1 1 35 35 PHE CA C 35 59.260 59.260 58.426 0.834 25969 1513 1 3 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.221 0.266 25969 1514 1 3 . 1 1 35 35 PHE H H 35 9.403 9.403 8.891 0.512 25969 1515 1 3 . 1 1 36 36 LYS N N 36 114.841 114.841 120.595 -5.754 25969 1516 1 3 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.335 0.049 25969 1517 1 3 . 1 1 36 36 LYS C C 36 177.118 177.118 176.860 0.258 25969 1518 1 3 . 1 1 36 36 LYS CA C 36 56.272 56.272 57.047 -0.775 25969 1519 1 3 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.282 -0.185 25969 1520 1 3 . 1 1 36 36 LYS H H 36 8.536 8.536 8.293 0.243 25969 1521 1 3 . 1 1 37 37 LEU N N 37 124.789 124.789 118.897 5.892 25969 1522 1 3 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.733 -0.283 25969 1523 1 3 . 1 1 37 37 LEU C C 37 177.535 177.535 176.826 0.709 25969 1524 1 3 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.176 2.566 25969 1525 1 3 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.320 1.931 25969 1526 1 3 . 1 1 37 37 LEU H H 37 8.503 8.503 8.333 0.170 25969 1527 1 3 . 1 1 38 38 THR N N 38 108.556 108.556 112.047 -3.491 25969 1528 1 3 . 1 1 38 38 THR HA H 38 4.619 4.619 4.477 0.142 25969 1529 1 3 . 1 1 38 38 THR C C 38 173.947 173.947 173.293 0.654 25969 1530 1 3 . 1 1 38 38 THR CA C 38 58.944 58.944 60.333 -1.389 25969 1531 1 3 . 1 1 38 38 THR CB C 38 71.818 71.818 70.779 1.039 25969 1532 1 3 . 1 1 38 38 THR H H 38 8.189 8.189 7.491 0.698 25969 1533 1 3 . 1 1 39 39 SER N N 39 110.757 110.757 117.957 -7.200 25969 1534 1 3 . 1 1 39 39 SER HA H 39 4.057 4.057 4.405 -0.348 25969 1535 1 3 . 1 1 39 39 SER C C 39 174.904 174.904 174.629 0.275 25969 1536 1 3 . 1 1 39 39 SER CA C 39 60.938 60.938 60.231 0.707 25969 1537 1 3 . 1 1 39 39 SER CB C 39 63.218 63.218 63.457 -0.239 25969 1538 1 3 . 1 1 39 39 SER H H 39 8.590 8.590 8.421 0.169 25969 1539 1 3 . 1 1 40 40 THR N N 40 129.807 129.807 112.534 17.273 25969 1540 1 3 . 1 1 40 40 THR HA H 40 4.453 4.453 3.747 0.706 25969 1541 1 3 . 1 1 40 40 THR C C 40 174.928 174.928 172.988 1.940 25969 1542 1 3 . 1 1 40 40 THR CA C 40 60.351 60.351 63.020 -2.670 25969 1543 1 3 . 1 1 40 40 THR CB C 40 69.910 69.910 68.037 1.873 25969 1544 1 3 . 1 1 40 40 THR H H 40 7.570 7.570 8.422 -0.852 25969 1545 1 3 . 1 1 41 41 LYS N N 41 125.614 125.614 119.704 5.910 25969 1546 1 3 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.595 0.117 25969 1547 1 3 . 1 1 41 41 LYS C C 41 174.907 174.907 174.375 0.532 25969 1548 1 3 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.764 0.973 25969 1549 1 3 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.686 1.356 25969 1550 1 3 . 1 1 41 41 LYS H H 41 7.425 7.425 7.805 -0.380 25969 1551 1 3 . 1 1 42 42 TRP N N 42 124.827 124.827 123.205 1.622 25969 1552 1 3 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.080 0.022 25969 1553 1 3 . 1 1 42 42 TRP C C 42 173.384 173.384 174.663 -1.279 25969 1554 1 3 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.931 1.471 25969 1555 1 3 . 1 1 42 42 TRP CB C 42 29.891 29.891 30.239 -0.348 25969 1556 1 3 . 1 1 42 42 TRP H H 42 8.590 8.590 8.652 -0.062 25969 1557 1 3 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.458 -0.011 25969 1558 1 3 . 1 1 43 43 PRO C C 43 174.990 174.990 175.997 -1.007 25969 1559 1 3 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.706 -0.155 25969 1560 1 3 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.275 -0.180 25969 1561 1 3 . 1 1 44 44 GLU N N 44 120.080 120.080 124.817 -4.737 25969 1562 1 3 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.048 -0.083 25969 1563 1 3 . 1 1 44 44 GLU C C 44 175.699 175.699 176.223 -0.524 25969 1564 1 3 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.538 -0.332 25969 1565 1 3 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.468 -0.886 25969 1566 1 3 . 1 1 44 44 GLU H H 44 8.134 8.134 8.432 -0.298 25969 1567 1 3 . 1 1 45 45 LEU N N 45 125.972 125.972 124.056 1.916 25969 1568 1 3 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.582 -0.619 25969 1569 1 3 . 1 1 45 45 LEU C C 45 176.242 176.242 175.237 1.005 25969 1570 1 3 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.754 -1.023 25969 1571 1 3 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.879 -0.567 25969 1572 1 3 . 1 1 45 45 LEU H H 45 8.363 8.363 8.266 0.097 25969 1573 1 3 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.120 0.054 25969 1574 1 3 . 1 1 46 46 PRO C C 46 177.702 177.702 176.121 1.581 25969 1575 1 3 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.559 0.261 25969 1576 1 3 . 1 1 46 46 PRO CB C 46 31.561 31.561 32.076 -0.515 25969 1577 1 3 . 1 1 47 47 VAL N N 47 119.474 119.474 119.009 0.465 25969 1578 1 3 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.958 0.277 25969 1579 1 3 . 1 1 47 47 VAL C C 47 175.178 175.178 174.998 0.180 25969 1580 1 3 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.322 -0.306 25969 1581 1 3 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.600 -0.452 25969 1582 1 3 . 1 1 47 47 VAL H H 47 7.836 7.836 8.054 -0.218 25969 1583 1 3 . 1 1 48 48 LYS N N 48 124.385 124.385 123.479 0.906 25969 1584 1 3 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.596 -0.287 25969 1585 1 3 . 1 1 48 48 LYS C C 48 176.534 176.534 175.475 1.059 25969 1586 1 3 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.277 0.864 25969 1587 1 3 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.557 0.275 25969 1588 1 3 . 1 1 48 48 LYS H H 48 8.638 8.638 8.411 0.227 25969 1589 1 3 . 1 1 49 49 GLU N N 49 118.262 118.262 118.284 -0.022 25969 1590 1 3 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.572 0.659 25969 1591 1 3 . 1 1 49 49 GLU C C 49 174.552 174.552 174.360 0.192 25969 1592 1 3 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.784 -0.513 25969 1593 1 3 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.707 1.590 25969 1594 1 3 . 1 1 49 49 GLU H H 49 7.473 7.473 7.692 -0.219 25969 1595 1 3 . 1 1 50 50 ALA N N 50 124.186 124.186 127.725 -3.539 25969 1596 1 3 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.615 -0.164 25969 1597 1 3 . 1 1 50 50 ALA C C 50 177.890 177.890 177.662 0.228 25969 1598 1 3 . 1 1 50 50 ALA CA C 50 53.133 53.133 51.444 1.689 25969 1599 1 3 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.272 3.341 25969 1600 1 3 . 1 1 50 50 ALA H H 50 8.902 8.902 8.786 0.116 25969 1601 1 3 . 1 1 51 51 GLY N N 51 109.041 109.041 105.092 3.949 25969 1602 1 3 . 1 1 51 51 GLY C C 51 173.759 173.759 174.830 -1.071 25969 1603 1 3 . 1 1 51 51 GLY CA C 51 47.657 47.657 46.499 1.158 25969 1604 1 3 . 1 1 51 51 GLY H H 51 9.113 9.113 8.660 0.453 25969 1605 1 3 . 1 1 52 52 GLY N N 52 104.272 104.272 104.912 -0.640 25969 1606 1 3 . 1 1 52 52 GLY C C 52 174.156 174.156 172.986 1.170 25969 1607 1 3 . 1 1 52 52 GLY CA C 52 45.520 45.520 45.210 0.310 25969 1608 1 3 . 1 1 52 52 GLY H H 52 8.873 8.873 8.261 0.612 25969 1609 1 3 . 1 1 53 53 PHE N N 53 120.324 120.324 119.696 0.628 25969 1610 1 3 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.283 -0.126 25969 1611 1 3 . 1 1 53 53 PHE C C 53 175.574 175.574 174.286 1.288 25969 1612 1 3 . 1 1 53 53 PHE CA C 53 56.940 56.940 55.644 1.296 25969 1613 1 3 . 1 1 53 53 PHE CB C 53 41.379 41.379 42.933 -1.554 25969 1614 1 3 . 1 1 53 53 PHE H H 53 8.278 8.278 7.589 0.689 25969 1615 1 3 . 1 1 54 54 CYS N N 54 116.465 116.465 120.399 -3.934 25969 1616 1 3 . 1 1 54 54 CYS HA H 54 5.660 5.660 4.759 0.901 25969 1617 1 3 . 1 1 54 54 CYS C C 54 173.092 173.092 172.952 0.140 25969 1618 1 3 . 1 1 54 54 CYS CA C 54 54.997 54.997 58.664 -3.667 25969 1619 1 3 . 1 1 54 54 CYS CB C 54 44.496 44.496 28.634 15.862 25969 1620 1 3 . 1 1 54 54 CYS H H 54 9.911 9.911 9.087 0.824 25969 1621 1 3 . 1 1 55 55 ILE N N 55 119.910 119.910 125.715 -5.805 25969 1622 1 3 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.318 -0.007 25969 1623 1 3 . 1 1 55 55 ILE C C 55 175.366 175.366 175.384 -0.018 25969 1624 1 3 . 1 1 55 55 ILE CA C 55 60.480 60.480 59.799 0.681 25969 1625 1 3 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.554 -0.855 25969 1626 1 3 . 1 1 55 55 ILE H H 55 7.971 7.971 8.636 -0.665 25969 1627 1 3 . 1 1 56 56 ARG N N 56 122.445 122.445 120.889 1.556 25969 1628 1 3 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.734 -0.113 25969 1629 1 3 . 1 1 56 56 ARG C C 56 174.948 174.948 174.274 0.674 25969 1630 1 3 . 1 1 56 56 ARG CA C 56 53.467 53.467 53.931 -0.464 25969 1631 1 3 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.164 1.246 25969 1632 1 3 . 1 1 56 56 ARG H H 56 8.927 8.927 8.218 0.709 25969 1633 1 3 . 1 1 57 57 MET N N 57 119.875 119.875 120.121 -0.246 25969 1634 1 3 . 1 1 57 57 MET HA H 57 4.574 4.574 4.379 0.195 25969 1635 1 3 . 1 1 57 57 MET C C 57 175.845 175.845 176.029 -0.184 25969 1636 1 3 . 1 1 57 57 MET CA C 57 55.204 55.204 56.632 -1.428 25969 1637 1 3 . 1 1 57 57 MET CB C 57 32.162 32.162 33.814 -1.652 25969 1638 1 3 . 1 1 57 57 MET H H 57 9.022 9.022 8.726 0.296 25969 1639 1 3 . 1 1 58 58 SER N N 58 114.338 114.338 117.633 -3.295 25969 1640 1 3 . 1 1 58 58 SER HA H 58 5.138 5.138 4.408 0.730 25969 1641 1 3 . 1 1 58 58 SER C C 58 175.866 175.866 175.204 0.662 25969 1642 1 3 . 1 1 58 58 SER CA C 58 56.084 56.084 60.158 -4.074 25969 1643 1 3 . 1 1 58 58 SER CB C 58 63.977 63.977 64.011 -0.034 25969 1644 1 3 . 1 1 58 58 SER H H 58 8.559 8.559 8.570 -0.011 25969 1645 1 3 . 1 1 59 59 GLY N N 59 116.880 116.880 108.353 8.527 25969 1646 1 3 . 1 1 59 59 GLY C C 59 172.257 172.257 173.825 -1.568 25969 1647 1 3 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.331 -1.629 25969 1648 1 3 . 1 1 59 59 GLY H H 59 8.919 8.919 8.054 0.865 25969 1649 1 3 . 1 1 60 60 GLN N N 60 121.745 121.745 119.117 2.628 25969 1650 1 3 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.435 -0.044 25969 1651 1 3 . 1 1 60 60 GLN C C 60 177.222 177.222 176.880 0.342 25969 1652 1 3 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.190 -0.184 25969 1653 1 3 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.350 -0.508 25969 1654 1 3 . 1 1 60 60 GLN H H 60 8.575 8.575 8.320 0.255 25969 1655 1 3 . 1 1 61 61 ALA N N 61 128.305 128.305 124.743 3.562 25969 1656 1 3 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.987 -0.588 25969 1657 1 3 . 1 1 61 61 ALA C C 61 178.704 178.704 179.186 -0.482 25969 1658 1 3 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.886 0.403 25969 1659 1 3 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.896 -1.964 25969 1660 1 3 . 1 1 61 61 ALA H H 61 8.576 8.576 8.210 0.366 25969 1661 1 3 . 1 1 62 62 LYS N N 62 114.337 114.337 117.987 -3.650 25969 1662 1 3 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.219 -0.043 25969 1663 1 3 . 1 1 62 62 LYS C C 62 177.327 177.327 176.782 0.545 25969 1664 1 3 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.610 0.466 25969 1665 1 3 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.457 -0.162 25969 1666 1 3 . 1 1 62 62 LYS H H 62 8.272 8.272 8.200 0.072 25969 1667 1 3 . 1 1 63 63 GLY N N 63 107.059 107.059 108.005 -0.946 25969 1668 1 3 . 1 1 63 63 GLY C C 63 173.759 173.759 173.492 0.267 25969 1669 1 3 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.271 0.514 25969 1670 1 3 . 1 1 63 63 GLY H H 63 7.813 7.813 8.093 -0.280 25969 1671 1 3 . 1 1 64 64 ILE N N 64 122.496 122.496 121.745 0.751 25969 1672 1 3 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.370 0.086 25969 1673 1 3 . 1 1 64 64 ILE C C 64 176.033 176.033 176.807 -0.774 25969 1674 1 3 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.641 0.902 25969 1675 1 3 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.383 -2.411 25969 1676 1 3 . 1 1 64 64 ILE H H 64 7.256 7.256 7.346 -0.090 25969 1677 1 3 . 1 1 65 65 LEU N N 65 128.858 128.858 123.640 5.218 25969 1678 1 3 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.159 0.094 25969 1679 1 3 . 1 1 65 65 LEU C C 65 178.203 178.203 175.869 2.334 25969 1680 1 3 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.380 -0.842 25969 1681 1 3 . 1 1 65 65 LEU CB C 65 42.536 42.536 41.941 0.595 25969 1682 1 3 . 1 1 65 65 LEU H H 65 8.417 8.417 8.598 -0.181 25969 1683 1 3 . 1 1 66 66 GLU N N 66 119.109 119.109 123.810 -4.701 25969 1684 1 3 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.540 -0.299 25969 1685 1 3 . 1 1 66 66 GLU C C 66 177.436 177.436 176.454 0.982 25969 1686 1 3 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.103 1.155 25969 1687 1 3 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.478 -2.379 25969 1688 1 3 . 1 1 66 66 GLU H H 66 8.590 8.590 8.433 0.157 25969 1689 1 3 . 1 1 67 67 GLY N N 67 108.490 108.490 112.076 -3.586 25969 1690 1 3 . 1 1 67 67 GLY C C 67 173.551 173.551 173.869 -0.318 25969 1691 1 3 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.947 0.174 25969 1692 1 3 . 1 1 67 67 GLY H H 67 9.498 9.498 8.883 0.615 25969 1693 1 3 . 1 1 68 68 LYS N N 68 117.773 117.773 118.860 -1.087 25969 1694 1 3 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.497 0.299 25969 1695 1 3 . 1 1 68 68 LYS C C 68 175.637 175.637 174.672 0.965 25969 1696 1 3 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.633 -0.364 25969 1697 1 3 . 1 1 68 68 LYS CB C 68 35.702 35.702 34.925 0.777 25969 1698 1 3 . 1 1 68 68 LYS H H 68 7.604 7.604 7.527 0.077 25969 1699 1 3 . 1 1 69 69 PHE N N 69 114.518 114.518 123.210 -8.692 25969 1700 1 3 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.567 -0.095 25969 1701 1 3 . 1 1 69 69 PHE C C 69 172.591 172.591 174.531 -1.940 25969 1702 1 3 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.403 3.675 25969 1703 1 3 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.484 0.893 25969 1704 1 3 . 1 1 69 69 PHE H H 69 8.439 8.439 8.803 -0.364 25969 1705 1 3 . 1 1 70 70 THR N N 70 115.260 115.260 117.781 -2.521 25969 1706 1 3 . 1 1 70 70 THR HA H 70 4.602 4.602 4.798 -0.196 25969 1707 1 3 . 1 1 70 70 THR C C 70 172.508 172.508 172.670 -0.162 25969 1708 1 3 . 1 1 70 70 THR CA C 70 62.484 62.484 61.729 0.755 25969 1709 1 3 . 1 1 70 70 THR CB C 70 71.367 71.367 71.972 -0.605 25969 1710 1 3 . 1 1 70 70 THR H H 70 8.474 8.474 8.583 -0.109 25969 1711 1 3 . 1 1 71 71 LEU N N 71 128.144 128.144 122.962 5.182 25969 1712 1 3 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.748 -0.240 25969 1713 1 3 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.609 0.326 25969 1714 1 3 . 1 1 71 71 LEU CB C 71 46.855 46.855 46.000 0.855 25969 1715 1 3 . 1 1 71 71 LEU H H 71 9.284 9.284 8.047 1.237 25969 1716 1 3 . 1 1 72 72 LYS N N 72 122.603 122.603 121.519 1.084 25969 1717 1 3 . 1 1 72 72 LYS HA H 72 5.388 5.388 5.036 0.352 25969 1718 1 3 . 1 1 72 72 LYS C C 72 171.972 171.972 174.805 -2.833 25969 1719 1 3 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.137 0.265 25969 1720 1 3 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.633 2.959 25969 1721 1 3 . 1 1 72 72 LYS H H 72 9.123 9.123 7.894 1.229 25969 1722 1 3 . 1 1 73 73 ALA N N 73 128.927 128.927 127.695 1.232 25969 1723 1 3 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.433 0.418 25969 1724 1 3 . 1 1 73 73 ALA C C 73 175.324 175.324 175.467 -0.143 25969 1725 1 3 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.789 -0.663 25969 1726 1 3 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.543 -1.067 25969 1727 1 3 . 1 1 73 73 ALA H H 73 9.178 9.178 8.906 0.272 25969 1728 1 3 . 1 1 74 74 VAL N N 74 123.425 123.425 121.592 1.833 25969 1729 1 3 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.082 0.057 25969 1730 1 3 . 1 1 74 74 VAL C C 74 173.425 173.425 174.892 -1.467 25969 1731 1 3 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.496 0.354 25969 1732 1 3 . 1 1 74 74 VAL CB C 74 35.768 35.768 35.719 0.049 25969 1733 1 3 . 1 1 74 74 VAL H H 74 8.727 8.727 8.913 -0.186 25969 1734 1 3 . 1 1 75 75 ALA N N 75 130.762 130.762 129.165 1.597 25969 1735 1 3 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.353 0.305 25969 1736 1 3 . 1 1 75 75 ALA C C 75 177.327 177.327 178.596 -1.269 25969 1737 1 3 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.152 1.048 25969 1738 1 3 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.640 0.966 25969 1739 1 3 . 1 1 75 75 ALA H H 75 9.164 9.164 7.481 1.683 25969 1740 1 3 . 1 1 76 76 LEU N N 76 119.175 119.175 123.280 -4.105 25969 1741 1 3 . 1 1 76 76 LEU HA H 76 3.794 3.794 3.985 -0.191 25969 1742 1 3 . 1 1 76 76 LEU C C 76 178.036 178.036 177.412 0.624 25969 1743 1 3 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.138 1.138 25969 1744 1 3 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.025 -0.179 25969 1745 1 3 . 1 1 76 76 LEU H H 76 8.269 8.269 8.700 -0.431 25969 1746 1 3 . 1 1 77 77 ASP N N 77 115.777 115.777 114.471 1.306 25969 1747 1 3 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.711 0.085 25969 1748 1 3 . 1 1 77 77 ASP C C 77 176.012 176.012 177.282 -1.270 25969 1749 1 3 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.934 -2.203 25969 1750 1 3 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.495 -0.319 25969 1751 1 3 . 1 1 77 77 ASP H H 77 7.715 7.715 8.076 -0.361 25969 1752 1 3 . 1 1 78 78 ARG N N 78 122.846 122.846 119.344 3.502 25969 1753 1 3 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.079 0.004 25969 1754 1 3 . 1 1 78 78 ARG C C 78 177.869 177.869 176.864 1.005 25969 1755 1 3 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.425 -1.017 25969 1756 1 3 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.189 0.435 25969 1757 1 3 . 1 1 78 78 ARG H H 78 8.408 8.408 7.294 1.114 25969 1758 1 3 . 1 1 79 79 GLU N N 79 118.091 118.091 118.794 -0.703 25969 1759 1 3 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.045 -0.026 25969 1760 1 3 . 1 1 79 79 GLU C C 79 177.930 177.930 177.112 0.818 25969 1761 1 3 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.368 -0.044 25969 1762 1 3 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.255 -0.121 25969 1763 1 3 . 1 1 79 79 GLU H H 79 7.888 7.888 8.275 -0.387 25969 1764 1 3 . 1 1 80 80 ALA N N 80 120.528 120.528 118.863 1.665 25969 1765 1 3 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.427 -0.325 25969 1766 1 3 . 1 1 80 80 ALA C C 80 178.142 178.142 177.055 1.087 25969 1767 1 3 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.640 0.427 25969 1768 1 3 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.613 -1.341 25969 1769 1 3 . 1 1 80 80 ALA H H 80 7.175 7.175 7.957 -0.782 25969 1770 1 3 . 1 1 81 81 GLU N N 81 115.377 115.377 117.893 -2.516 25969 1771 1 3 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.842 -0.080 25969 1772 1 3 . 1 1 81 81 GLU C C 81 171.047 171.047 175.265 -4.218 25969 1773 1 3 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.633 -0.435 25969 1774 1 3 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.265 1.428 25969 1775 1 3 . 1 1 81 81 GLU H H 81 7.457 7.457 7.465 -0.008 25969 1776 1 3 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.169 0.528 25969 1777 1 3 . 1 1 82 82 PRO C C 82 177.636 177.636 176.927 0.709 25969 1778 1 3 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.705 -1.113 25969 1779 1 3 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.998 0.834 25969 1780 1 3 . 1 1 83 83 ARG N N 83 118.488 118.488 117.778 0.710 25969 1781 1 3 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.349 0.225 25969 1782 1 3 . 1 1 83 83 ARG C C 83 176.870 176.870 175.718 1.152 25969 1783 1 3 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.083 -0.039 25969 1784 1 3 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.649 0.527 25969 1785 1 3 . 1 1 83 83 ARG H H 83 8.554 8.554 8.224 0.330 25969 1786 1 3 . 1 1 84 84 VAL N N 84 111.376 111.376 119.871 -8.495 25969 1787 1 3 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.157 -0.130 25969 1788 1 3 . 1 1 84 84 VAL C C 84 174.302 174.302 174.580 -0.278 25969 1789 1 3 . 1 1 84 84 VAL CA C 84 58.543 58.543 60.220 -1.677 25969 1790 1 3 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.770 -0.080 25969 1791 1 3 . 1 1 84 84 VAL H H 84 8.304 8.304 8.241 0.063 25969 1792 1 3 . 1 1 85 85 LEU N N 85 122.000 122.000 121.208 0.792 25969 1793 1 3 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.199 0.129 25969 1794 1 3 . 1 1 85 85 LEU C C 85 175.491 175.491 174.155 1.336 25969 1795 1 3 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.465 -0.599 25969 1796 1 3 . 1 1 85 85 LEU CB C 85 47.122 47.122 47.026 0.096 25969 1797 1 3 . 1 1 85 85 LEU H H 85 8.095 8.095 8.643 -0.548 25969 1798 1 3 . 1 1 86 86 ARG N N 86 119.409 119.409 121.406 -1.997 25969 1799 1 3 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.327 0.143 25969 1800 1 3 . 1 1 86 86 ARG C C 86 174.928 174.928 173.360 1.568 25969 1801 1 3 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.834 -0.632 25969 1802 1 3 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.312 1.323 25969 1803 1 3 . 1 1 86 86 ARG H H 86 8.851 8.851 8.241 0.610 25969 1804 1 3 . 1 1 87 87 LEU N N 87 122.550 122.550 124.328 -1.778 25969 1805 1 3 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.051 0.023 25969 1806 1 3 . 1 1 87 87 LEU C C 87 174.406 174.406 174.447 -0.041 25969 1807 1 3 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.890 1.114 25969 1808 1 3 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.203 1.921 25969 1809 1 3 . 1 1 87 87 LEU H H 87 8.798 8.798 8.043 0.755 25969 1810 1 3 . 1 1 88 88 ASN N N 88 125.347 125.347 123.875 1.472 25969 1811 1 3 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.533 -0.110 25969 1812 1 3 . 1 1 88 88 ASN C C 88 176.576 176.576 176.603 -0.027 25969 1813 1 3 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.832 -0.969 25969 1814 1 3 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.237 0.340 25969 1815 1 3 . 1 1 88 88 ASN H H 88 7.376 7.376 8.339 -0.963 25969 1816 1 3 . 1 1 89 89 GLU N N 89 114.953 114.953 119.507 -4.554 25969 1817 1 3 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.259 -0.863 25969 1818 1 3 . 1 1 89 89 GLU C C 89 176.684 176.684 176.828 -0.144 25969 1819 1 3 . 1 1 89 89 GLU CA C 89 58.540 58.540 59.129 -0.589 25969 1820 1 3 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.876 -1.006 25969 1821 1 3 . 1 1 89 89 GLU H H 89 7.586 7.586 8.445 -0.859 25969 1822 1 3 . 1 1 90 90 SER N N 90 117.110 117.110 114.070 3.040 25969 1823 1 3 . 1 1 90 90 SER HA H 90 4.442 4.442 4.454 -0.012 25969 1824 1 3 . 1 1 90 90 SER C C 90 174.051 174.051 174.287 -0.236 25969 1825 1 3 . 1 1 90 90 SER CA C 90 58.895 58.895 58.039 0.856 25969 1826 1 3 . 1 1 90 90 SER CB C 90 63.886 63.886 63.339 0.548 25969 1827 1 3 . 1 1 90 90 SER H H 90 7.385 7.385 7.994 -0.609 25969 1828 1 3 . 1 1 91 91 LEU N N 91 116.559 116.559 118.274 -1.715 25969 1829 1 3 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.010 -0.313 25969 1830 1 3 . 1 1 91 91 LEU C C 91 175.825 175.825 175.333 0.492 25969 1831 1 3 . 1 1 91 91 LEU CA C 91 56.042 56.042 55.873 0.169 25969 1832 1 3 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.643 -1.938 25969 1833 1 3 . 1 1 91 91 LEU H H 91 8.704 8.704 7.722 0.982 25969 1834 1 3 . 1 1 92 92 THR N N 92 115.529 115.529 114.559 0.970 25969 1835 1 3 . 1 1 92 92 THR HA H 92 4.254 4.254 4.408 -0.154 25969 1836 1 3 . 1 1 92 92 THR C C 92 173.425 173.425 173.211 0.214 25969 1837 1 3 . 1 1 92 92 THR CA C 92 62.617 62.617 62.808 -0.191 25969 1838 1 3 . 1 1 92 92 THR CB C 92 69.096 69.096 69.186 -0.090 25969 1839 1 3 . 1 1 92 92 THR H H 92 7.704 7.704 7.688 0.016 25969 1840 1 3 . 1 1 93 93 ALA N N 93 130.459 130.459 131.390 -0.931 25969 1841 1 3 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.299 0.388 25969 1842 1 3 . 1 1 93 93 ALA C C 93 177.201 177.201 175.426 1.775 25969 1843 1 3 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.595 0.667 25969 1844 1 3 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.307 -0.497 25969 1845 1 3 . 1 1 93 93 ALA H H 93 9.002 9.002 8.420 0.582 25969 1846 1 3 . 1 1 94 94 VAL N N 94 117.872 117.872 120.977 -3.105 25969 1847 1 3 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.846 0.058 25969 1848 1 3 . 1 1 94 94 VAL C C 94 173.613 173.613 173.650 -0.037 25969 1849 1 3 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.533 -0.854 25969 1850 1 3 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.514 -0.478 25969 1851 1 3 . 1 1 94 94 VAL H H 94 8.833 8.833 8.259 0.574 25969 1852 1 3 . 1 1 95 95 VAL N N 95 121.842 121.842 128.385 -6.543 25969 1853 1 3 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.738 0.515 25969 1854 1 3 . 1 1 95 95 VAL C C 95 174.552 174.552 173.807 0.745 25969 1855 1 3 . 1 1 95 95 VAL CA C 95 57.942 57.942 59.290 -1.348 25969 1856 1 3 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.588 0.312 25969 1857 1 3 . 1 1 95 95 VAL H H 95 9.286 9.286 8.721 0.565 25969 1858 1 3 . 1 1 96 96 CYS N N 96 126.839 126.839 124.315 2.524 25969 1859 1 3 . 1 1 96 96 CYS HA H 96 5.423 5.423 5.134 0.289 25969 1860 1 3 . 1 1 96 96 CYS C C 96 174.135 174.135 175.598 -1.463 25969 1861 1 3 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.809 -3.540 25969 1862 1 3 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.997 15.458 25969 1863 1 3 . 1 1 96 96 CYS H H 96 9.452 9.452 8.922 0.530 25969 1864 1 3 . 1 1 97 97 GLY N N 97 109.718 109.718 108.925 0.793 25969 1865 1 3 . 1 1 97 97 GLY C C 97 172.639 172.639 173.691 -1.052 25969 1866 1 3 . 1 1 97 97 GLY CA C 97 46.388 46.388 44.795 1.593 25969 1867 1 3 . 1 1 97 97 GLY H H 97 8.355 8.355 8.669 -0.314 25969 1868 1 3 . 1 1 98 98 LYS N N 98 114.844 114.844 118.908 -4.064 25969 1869 1 3 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.669 0.075 25969 1870 1 3 . 1 1 98 98 LYS C C 98 174.051 174.051 173.974 0.077 25969 1871 1 3 . 1 1 98 98 LYS CA C 98 54.336 54.336 54.778 -0.442 25969 1872 1 3 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.778 -0.250 25969 1873 1 3 . 1 1 98 98 LYS H H 98 7.632 7.632 7.710 -0.078 25969 1874 1 3 . 1 1 99 99 MET N N 99 124.801 124.801 126.934 -2.133 25969 1875 1 3 . 1 1 99 99 MET HA H 99 5.017 5.017 4.743 0.274 25969 1876 1 3 . 1 1 99 99 MET C C 99 176.337 176.337 174.819 1.518 25969 1877 1 3 . 1 1 99 99 MET CA C 99 54.803 54.803 54.526 0.277 25969 1878 1 3 . 1 1 99 99 MET CB C 99 34.646 34.646 33.793 0.853 25969 1879 1 3 . 1 1 99 99 MET H H 99 8.759 8.759 8.768 -0.009 25969 1880 1 3 . 1 1 100 100 LYS N N 100 126.252 126.252 125.695 0.557 25969 1881 1 3 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.365 0.011 25969 1882 1 3 . 1 1 100 100 LYS C C 100 177.222 177.222 177.711 -0.489 25969 1883 1 3 . 1 1 100 100 LYS CA C 100 56.455 56.455 58.159 -1.704 25969 1884 1 3 . 1 1 100 100 LYS CB C 100 32.429 32.429 32.977 -0.548 25969 1885 1 3 . 1 1 100 100 LYS H H 100 8.602 8.602 8.049 0.553 25969 1886 1 3 . 1 1 101 101 GLY N N 101 108.944 108.944 105.738 3.206 25969 1887 1 3 . 1 1 101 101 GLY C C 101 173.613 173.613 173.865 -0.252 25969 1888 1 3 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.282 0.303 25969 1889 1 3 . 1 1 101 101 GLY H H 101 8.385 8.385 7.646 0.739 25969 1890 1 3 . 1 1 102 102 LYS N N 102 118.594 118.594 119.733 -1.139 25969 1891 1 3 . 1 1 102 102 LYS HA H 102 4.414 4.414 3.999 0.415 25969 1892 1 3 . 1 1 102 102 LYS C C 102 176.867 176.867 175.839 1.028 25969 1893 1 3 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.597 -1.725 25969 1894 1 3 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.580 1.443 25969 1895 1 3 . 1 1 102 102 LYS H H 102 8.436 8.436 8.378 0.058 25969 1896 1 3 . 1 1 103 103 GLY N N 103 110.581 110.581 108.654 1.927 25969 1897 1 3 . 1 1 103 103 GLY C C 103 171.631 171.631 172.469 -0.838 25969 1898 1 3 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.405 1.515 25969 1899 1 3 . 1 1 103 103 GLY H H 103 8.443 8.443 8.121 0.322 25969 1900 1 3 . 1 1 104 104 SER N N 104 113.710 113.710 115.234 -1.524 25969 1901 1 3 . 1 1 104 104 SER HA H 104 4.697 4.697 4.681 0.016 25969 1902 1 3 . 1 1 104 104 SER C C 104 174.680 174.680 174.248 0.432 25969 1903 1 3 . 1 1 104 104 SER CA C 104 57.331 57.331 56.610 0.721 25969 1904 1 3 . 1 1 104 104 SER CB C 104 66.178 66.178 66.328 -0.150 25969 1905 1 3 . 1 1 104 104 SER H H 104 8.535 8.535 7.877 0.658 25969 1906 1 3 . 1 1 105 105 CYS N N 105 118.835 118.835 122.036 -3.201 25969 1907 1 3 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.344 0.268 25969 1908 1 3 . 1 1 105 105 CYS C C 105 176.502 176.502 176.023 0.479 25969 1909 1 3 . 1 1 105 105 CYS CA C 105 57.136 57.136 61.157 -4.021 25969 1910 1 3 . 1 1 105 105 CYS CB C 105 40.412 40.412 26.909 13.503 25969 1911 1 3 . 1 1 105 105 CYS H H 105 10.009 10.009 8.766 1.243 25969 1912 1 3 . 1 1 106 106 THR N N 106 107.957 107.957 114.737 -6.780 25969 1913 1 3 . 1 1 106 106 THR HA H 106 4.574 4.574 3.900 0.674 25969 1914 1 3 . 1 1 106 106 THR C C 106 175.178 175.178 174.157 1.021 25969 1915 1 3 . 1 1 106 106 THR CA C 106 61.014 61.014 63.837 -2.823 25969 1916 1 3 . 1 1 106 106 THR CB C 106 68.495 68.495 67.941 0.554 25969 1917 1 3 . 1 1 106 106 THR H H 106 8.030 8.030 8.843 -0.813 25969 1918 1 3 . 1 1 107 107 ASP N N 107 120.763 120.763 117.239 3.524 25969 1919 1 3 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.713 -0.393 25969 1920 1 3 . 1 1 107 107 ASP C C 107 177.264 177.264 175.764 1.500 25969 1921 1 3 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.569 0.435 25969 1922 1 3 . 1 1 107 107 ASP CB C 107 40.844 40.844 44.356 -3.512 25969 1923 1 3 . 1 1 107 107 ASP H H 107 7.531 7.531 7.633 -0.102 25969 1924 1 3 . 1 1 108 108 GLY N N 108 108.602 108.602 109.619 -1.017 25969 1925 1 3 . 1 1 108 108 GLY C C 108 174.698 174.698 173.420 1.278 25969 1926 1 3 . 1 1 108 108 GLY CA C 108 45.653 45.653 44.798 0.855 25969 1927 1 3 . 1 1 108 108 GLY H H 108 8.591 8.591 8.093 0.498 25969 1928 1 3 . 1 1 109 109 GLU N N 109 120.191 120.191 119.841 0.350 25969 1929 1 3 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.173 0.279 25969 1930 1 3 . 1 1 109 109 GLU C C 109 176.472 176.472 175.780 0.692 25969 1931 1 3 . 1 1 109 109 GLU CA C 109 55.678 55.678 57.376 -1.698 25969 1932 1 3 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.535 0.349 25969 1933 1 3 . 1 1 109 109 GLU H H 109 8.292 8.292 8.080 0.212 25969 1934 1 3 . 1 1 110 110 GLU N N 110 116.857 116.857 118.563 -1.706 25969 1935 1 3 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.231 -0.015 25969 1936 1 3 . 1 1 110 110 GLU C C 110 176.381 176.381 174.645 1.736 25969 1937 1 3 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.918 0.218 25969 1938 1 3 . 1 1 110 110 GLU CB C 110 31.273 31.273 30.702 0.571 25969 1939 1 3 . 1 1 110 110 GLU H H 110 9.028 9.028 8.662 0.366 25969 1940 1 3 . 1 1 111 111 ILE N N 111 109.164 109.164 112.278 -3.114 25969 1941 1 3 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.896 -0.061 25969 1942 1 3 . 1 1 111 111 ILE C C 111 176.868 176.868 173.355 3.513 25969 1943 1 3 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.544 -0.402 25969 1944 1 3 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.691 1.424 25969 1945 1 3 . 1 1 111 111 ILE H H 111 7.022 7.022 7.251 -0.229 25969 1946 1 3 . 1 1 112 112 PHE N N 112 118.509 118.509 122.289 -3.780 25969 1947 1 3 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.925 0.187 25969 1948 1 3 . 1 1 112 112 PHE C C 112 174.171 174.171 173.516 0.655 25969 1949 1 3 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.529 2.262 25969 1950 1 3 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.174 3.685 25969 1951 1 3 . 1 1 112 112 PHE H H 112 8.605 8.605 7.986 0.619 25969 1952 1 3 . 1 1 113 113 ARG N N 113 119.908 119.908 121.724 -1.816 25969 1953 1 3 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.459 0.313 25969 1954 1 3 . 1 1 113 113 ARG C C 113 176.930 176.930 174.604 2.326 25969 1955 1 3 . 1 1 113 113 ARG CA C 113 55.404 55.404 54.828 0.576 25969 1956 1 3 . 1 1 113 113 ARG CB C 113 33.431 33.431 33.645 -0.214 25969 1957 1 3 . 1 1 113 113 ARG H H 113 9.352 9.352 7.423 1.929 25969 1958 1 3 . 1 1 114 114 GLY N N 114 109.477 109.477 110.079 -0.602 25969 1959 1 3 . 1 1 114 114 GLY C C 114 173.738 173.738 173.220 0.518 25969 1960 1 3 . 1 1 114 114 GLY CA C 114 44.451 44.451 44.788 -0.337 25969 1961 1 3 . 1 1 114 114 GLY H H 114 8.467 8.467 8.578 -0.111 25969 1962 1 3 . 1 1 115 115 ASN N N 115 119.193 119.193 122.775 -3.582 25969 1963 1 3 . 1 1 115 115 ASN HA H 115 4.734 4.734 5.012 -0.278 25969 1964 1 3 . 1 1 115 115 ASN C C 115 173.530 173.530 172.990 0.540 25969 1965 1 3 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.687 0.047 25969 1966 1 3 . 1 1 115 115 ASN CB C 115 39.642 39.642 42.096 -2.454 25969 1967 1 3 . 1 1 115 115 ASN H H 115 8.523 8.523 8.564 -0.041 25969 1968 1 3 . 1 1 116 116 ASP N N 116 120.602 120.602 120.602 0.000 25969 1969 1 3 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.226 -0.143 25969 1970 1 3 . 1 1 116 116 ASP C C 116 174.030 174.030 174.361 -0.331 25969 1971 1 3 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.673 1.596 25969 1972 1 3 . 1 1 116 116 ASP CB C 116 43.983 43.983 43.867 0.116 25969 1973 1 3 . 1 1 116 116 ASP H H 116 8.098 8.098 8.447 -0.349 25969 1974 1 3 . 1 1 117 117 ALA N N 117 123.146 123.146 122.566 0.580 25969 1975 1 3 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.536 0.180 25969 1976 1 3 . 1 1 117 117 ALA C C 117 175.345 175.345 176.267 -0.922 25969 1977 1 3 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.580 -0.118 25969 1978 1 3 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.640 1.505 25969 1979 1 3 . 1 1 117 117 ALA H H 117 8.979 8.979 8.435 0.544 25969 1980 1 3 . 1 1 118 118 GLU N N 118 115.917 115.917 116.122 -0.205 25969 1981 1 3 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.993 -0.098 25969 1982 1 3 . 1 1 118 118 GLU C C 118 177.181 177.181 174.794 2.387 25969 1983 1 3 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.426 -1.069 25969 1984 1 3 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.282 -0.530 25969 1985 1 3 . 1 1 118 118 GLU H H 118 8.829 8.829 8.765 0.064 25969 1986 1 3 . 1 1 119 119 CYS N N 119 119.476 119.476 116.715 2.761 25969 1987 1 3 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.427 0.043 25969 1988 1 3 . 1 1 119 119 CYS C C 119 174.738 174.738 174.578 0.160 25969 1989 1 3 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.181 -1.017 25969 1990 1 3 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.552 12.906 25969 1991 1 3 . 1 1 119 119 CYS H H 119 8.671 8.671 8.183 0.488 25969 1992 1 3 . 1 1 120 120 ARG N N 120 123.444 123.444 121.716 1.728 25969 1993 1 3 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.014 -0.089 25969 1994 1 3 . 1 1 120 120 ARG C C 120 172.028 172.028 173.189 -1.161 25969 1995 1 3 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.103 0.565 25969 1996 1 3 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.746 0.815 25969 1997 1 3 . 1 1 120 120 ARG H H 120 9.238 9.238 9.242 -0.004 25969 1998 1 3 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.708 -0.162 25969 1999 1 3 . 1 1 121 121 PRO C C 121 176.138 176.138 175.472 0.666 25969 2000 1 3 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.134 0.886 25969 2001 1 3 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.975 0.187 25969 2002 1 3 . 1 1 122 122 PHE N N 122 124.392 124.392 125.306 -0.914 25969 2003 1 3 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.804 -0.098 25969 2004 1 3 . 1 1 122 122 PHE C C 122 175.032 175.032 174.221 0.811 25969 2005 1 3 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.306 1.102 25969 2006 1 3 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.930 -2.553 25969 2007 1 3 . 1 1 122 122 PHE H H 122 8.335 8.335 8.738 -0.403 25969 2008 1 3 . 1 1 123 123 THR N N 123 118.912 118.912 114.411 4.501 25969 2009 1 3 . 1 1 123 123 THR HA H 123 4.140 4.140 4.582 -0.442 25969 2010 1 3 . 1 1 123 123 THR C C 123 173.071 173.071 173.993 -0.922 25969 2011 1 3 . 1 1 123 123 THR CA C 123 60.948 60.948 59.696 1.252 25969 2012 1 3 . 1 1 123 123 THR CB C 123 69.430 69.430 70.354 -0.924 25969 2013 1 3 . 1 1 123 123 THR H H 123 8.146 8.146 7.901 0.245 25969 2014 1 4 . 1 1 7 7 ARG N N 7 122.494 122.494 121.041 1.453 25969 2015 1 4 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.440 -0.090 25969 2016 1 4 . 1 1 7 7 ARG C C 7 177.037 177.037 175.365 1.672 25969 2017 1 4 . 1 1 7 7 ARG CA C 7 56.724 56.724 55.692 1.032 25969 2018 1 4 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.853 -0.972 25969 2019 1 4 . 1 1 7 7 ARG H H 7 8.649 8.649 8.446 0.203 25969 2020 1 4 . 1 1 8 8 SER N N 8 117.535 117.535 116.011 1.524 25969 2021 1 4 . 1 1 8 8 SER HA H 8 4.384 4.384 4.347 0.037 25969 2022 1 4 . 1 1 8 8 SER C C 8 174.613 174.613 174.526 0.087 25969 2023 1 4 . 1 1 8 8 SER CA C 8 59.412 59.412 59.112 0.300 25969 2024 1 4 . 1 1 8 8 SER CB C 8 63.686 63.686 62.692 0.994 25969 2025 1 4 . 1 1 8 8 SER H H 8 8.522 8.522 8.056 0.466 25969 2026 1 4 . 1 1 9 9 ALA N N 9 126.336 126.336 128.667 -2.331 25969 2027 1 4 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.517 -0.052 25969 2028 1 4 . 1 1 9 9 ALA C C 9 178.349 178.349 178.657 -0.308 25969 2029 1 4 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.635 0.432 25969 2030 1 4 . 1 1 9 9 ALA CB C 9 18.914 18.914 20.092 -1.178 25969 2031 1 4 . 1 1 9 9 ALA H H 9 8.415 8.415 8.197 0.218 25969 2032 1 4 . 1 1 10 10 ASN N N 10 121.438 121.438 118.273 3.165 25969 2033 1 4 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.726 -0.040 25969 2034 1 4 . 1 1 10 10 ASN C C 10 175.571 175.571 175.480 0.091 25969 2035 1 4 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.963 -0.716 25969 2036 1 4 . 1 1 10 10 ASN CB C 10 39.125 39.125 37.046 2.079 25969 2037 1 4 . 1 1 10 10 ASN H H 10 9.263 9.263 9.270 -0.007 25969 2038 1 4 . 1 1 11 11 LEU N N 11 125.021 125.021 120.142 4.879 25969 2039 1 4 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.909 0.712 25969 2040 1 4 . 1 1 11 11 LEU C C 11 178.567 178.567 177.771 0.796 25969 2041 1 4 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.502 1.384 25969 2042 1 4 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.103 1.157 25969 2043 1 4 . 1 1 11 11 LEU H H 11 8.560 8.560 7.916 0.644 25969 2044 1 4 . 1 1 12 12 ARG N N 12 117.977 117.977 118.457 -0.480 25969 2045 1 4 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.123 0.011 25969 2046 1 4 . 1 1 12 12 ARG C C 12 179.350 179.350 178.453 0.897 25969 2047 1 4 . 1 1 12 12 ARG CA C 12 60.347 60.347 58.136 2.211 25969 2048 1 4 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.551 1.140 25969 2049 1 4 . 1 1 12 12 ARG H H 12 8.114 8.114 8.173 -0.059 25969 2050 1 4 . 1 1 13 13 ALA N N 13 123.280 123.280 121.676 1.604 25969 2051 1 4 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.195 0.018 25969 2052 1 4 . 1 1 13 13 ALA C C 13 180.957 180.957 179.506 1.451 25969 2053 1 4 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.535 -0.133 25969 2054 1 4 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.131 -0.262 25969 2055 1 4 . 1 1 13 13 ALA H H 13 7.871 7.871 7.585 0.286 25969 2056 1 4 . 1 1 14 14 ALA N N 14 122.111 122.111 120.827 1.284 25969 2057 1 4 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.892 -0.187 25969 2058 1 4 . 1 1 14 14 ALA C C 14 178.578 178.578 178.841 -0.263 25969 2059 1 4 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.436 0.968 25969 2060 1 4 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.926 -0.666 25969 2061 1 4 . 1 1 14 14 ALA H H 14 7.930 7.930 7.246 0.684 25969 2062 1 4 . 1 1 15 15 HIS N N 15 118.502 118.502 117.296 1.206 25969 2063 1 4 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.218 -0.442 25969 2064 1 4 . 1 1 15 15 HIS C C 15 176.304 176.304 176.936 -0.632 25969 2065 1 4 . 1 1 15 15 HIS CA C 15 60.031 60.031 60.057 -0.027 25969 2066 1 4 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.654 1.716 25969 2067 1 4 . 1 1 15 15 HIS H H 15 8.422 8.422 8.685 -0.263 25969 2068 1 4 . 1 1 16 16 ALA N N 16 120.116 120.116 120.150 -0.034 25969 2069 1 4 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.321 -0.467 25969 2070 1 4 . 1 1 16 16 ALA C C 16 180.644 180.644 178.820 1.824 25969 2071 1 4 . 1 1 16 16 ALA CA C 16 55.471 55.471 54.028 1.444 25969 2072 1 4 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.782 -0.980 25969 2073 1 4 . 1 1 16 16 ALA H H 16 7.980 7.980 7.579 0.401 25969 2074 1 4 . 1 1 17 17 ALA N N 17 121.281 121.281 122.827 -1.546 25969 2075 1 4 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.084 0.092 25969 2076 1 4 . 1 1 17 17 ALA C C 17 180.122 180.122 179.298 0.824 25969 2077 1 4 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.780 -0.311 25969 2078 1 4 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.444 1.696 25969 2079 1 4 . 1 1 17 17 ALA H H 17 7.465 7.465 7.234 0.231 25969 2080 1 4 . 1 1 18 18 LEU N N 18 120.262 120.262 118.260 2.002 25969 2081 1 4 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.049 -0.242 25969 2082 1 4 . 1 1 18 18 LEU C C 18 178.766 178.766 179.370 -0.604 25969 2083 1 4 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.361 1.383 25969 2084 1 4 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.836 0.875 25969 2085 1 4 . 1 1 18 18 LEU H H 18 8.468 8.468 8.539 -0.071 25969 2086 1 4 . 1 1 19 19 LEU N N 19 119.078 119.078 121.293 -2.215 25969 2087 1 4 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.158 -0.296 25969 2088 1 4 . 1 1 19 19 LEU C C 19 179.517 179.517 178.448 1.069 25969 2089 1 4 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.531 -0.522 25969 2090 1 4 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.054 0.391 25969 2091 1 4 . 1 1 19 19 LEU H H 19 8.029 8.029 7.519 0.510 25969 2092 1 4 . 1 1 20 20 GLU N N 20 121.499 121.499 119.439 2.060 25969 2093 1 4 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.038 -0.011 25969 2094 1 4 . 1 1 20 20 GLU C C 20 180.289 180.289 179.318 0.971 25969 2095 1 4 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.547 0.332 25969 2096 1 4 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.406 -0.116 25969 2097 1 4 . 1 1 20 20 GLU H H 20 7.895 7.895 8.577 -0.682 25969 2098 1 4 . 1 1 21 21 ASN N N 21 119.066 119.066 117.314 1.752 25969 2099 1 4 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.706 -0.168 25969 2100 1 4 . 1 1 21 21 ASN C C 21 177.368 177.368 177.294 0.074 25969 2101 1 4 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.682 0.190 25969 2102 1 4 . 1 1 21 21 ASN CB C 21 40.444 40.444 39.038 1.406 25969 2103 1 4 . 1 1 21 21 ASN H H 21 8.373 8.373 8.412 -0.039 25969 2104 1 4 . 1 1 22 22 ALA N N 22 125.274 125.274 124.292 0.982 25969 2105 1 4 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.033 -0.260 25969 2106 1 4 . 1 1 22 22 ALA C C 22 179.402 179.402 179.886 -0.484 25969 2107 1 4 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.286 0.185 25969 2108 1 4 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.622 -0.402 25969 2109 1 4 . 1 1 22 22 ALA H H 22 8.886 8.886 8.480 0.406 25969 2110 1 4 . 1 1 23 23 ARG N N 23 119.945 119.945 116.801 3.144 25969 2111 1 4 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.218 -0.021 25969 2112 1 4 . 1 1 23 23 ARG C C 23 179.726 179.726 178.484 1.242 25969 2113 1 4 . 1 1 23 23 ARG CA C 23 59.812 59.812 58.869 0.943 25969 2114 1 4 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.775 -0.084 25969 2115 1 4 . 1 1 23 23 ARG H H 23 8.168 8.168 8.149 0.019 25969 2116 1 4 . 1 1 24 24 PHE N N 24 121.222 121.222 120.450 0.772 25969 2117 1 4 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.375 -0.008 25969 2118 1 4 . 1 1 24 24 PHE C C 24 177.410 177.410 177.967 -0.557 25969 2119 1 4 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.679 -0.331 25969 2120 1 4 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.087 -1.181 25969 2121 1 4 . 1 1 24 24 PHE H H 24 7.658 7.658 7.724 -0.066 25969 2122 1 4 . 1 1 25 25 MET N N 25 120.355 120.355 119.297 1.058 25969 2123 1 4 . 1 1 25 25 MET HA H 25 4.300 4.300 4.503 -0.203 25969 2124 1 4 . 1 1 25 25 MET C C 25 179.371 179.371 178.227 1.144 25969 2125 1 4 . 1 1 25 25 MET CA C 25 55.939 55.939 57.181 -1.242 25969 2126 1 4 . 1 1 25 25 MET CB C 25 29.424 29.424 31.453 -2.029 25969 2127 1 4 . 1 1 25 25 MET H H 25 8.358 8.358 9.051 -0.693 25969 2128 1 4 . 1 1 26 26 GLU N N 26 120.164 120.164 119.612 0.552 25969 2129 1 4 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.254 0.084 25969 2130 1 4 . 1 1 26 26 GLU C C 26 179.934 179.934 179.835 0.099 25969 2131 1 4 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.617 0.437 25969 2132 1 4 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.545 -0.061 25969 2133 1 4 . 1 1 26 26 GLU H H 26 8.441 8.441 8.578 -0.137 25969 2134 1 4 . 1 1 27 27 GLN N N 27 121.309 121.309 118.651 2.658 25969 2135 1 4 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.216 -0.084 25969 2136 1 4 . 1 1 27 27 GLN C C 27 178.307 178.307 178.132 0.175 25969 2137 1 4 . 1 1 27 27 GLN CA C 27 58.610 58.610 57.870 0.740 25969 2138 1 4 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.672 -0.585 25969 2139 1 4 . 1 1 27 27 GLN H H 27 8.001 8.001 8.271 -0.270 25969 2140 1 4 . 1 1 28 28 PHE N N 28 124.569 124.569 122.195 2.374 25969 2141 1 4 . 1 1 28 28 PHE HA H 28 3.814 3.814 3.947 -0.133 25969 2142 1 4 . 1 1 28 28 PHE C C 28 177.717 177.717 177.491 0.226 25969 2143 1 4 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.659 0.533 25969 2144 1 4 . 1 1 28 28 PHE CB C 28 39.343 39.343 38.955 0.388 25969 2145 1 4 . 1 1 28 28 PHE H H 28 8.760 8.760 8.426 0.334 25969 2146 1 4 . 1 1 29 29 TYR N N 29 121.726 121.726 119.558 2.168 25969 2147 1 4 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.052 -0.257 25969 2148 1 4 . 1 1 29 29 TYR C C 29 179.079 179.079 176.996 2.083 25969 2149 1 4 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.430 -0.482 25969 2150 1 4 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.398 0.309 25969 2151 1 4 . 1 1 29 29 TYR H H 29 8.956 8.956 8.345 0.611 25969 2152 1 4 . 1 1 30 30 ALA N N 30 121.142 121.142 120.239 0.903 25969 2153 1 4 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.068 -0.020 25969 2154 1 4 . 1 1 30 30 ALA C C 30 174.781 174.781 178.527 -3.746 25969 2155 1 4 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.250 0.620 25969 2156 1 4 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.299 -0.430 25969 2157 1 4 . 1 1 30 30 ALA H H 30 8.063 8.063 7.678 0.385 25969 2158 1 4 . 1 1 31 31 LYS N N 31 114.745 114.745 115.447 -0.702 25969 2159 1 4 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.193 -0.005 25969 2160 1 4 . 1 1 31 31 LYS C C 31 177.744 177.744 177.215 0.529 25969 2161 1 4 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.480 -0.072 25969 2162 1 4 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.363 -0.188 25969 2163 1 4 . 1 1 31 31 LYS H H 31 7.172 7.172 7.905 -0.733 25969 2164 1 4 . 1 1 32 32 LYS N N 32 117.388 117.388 116.938 0.450 25969 2165 1 4 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.239 -0.126 25969 2166 1 4 . 1 1 32 32 LYS C C 32 177.747 177.747 176.663 1.084 25969 2167 1 4 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.157 -0.353 25969 2168 1 4 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.458 -0.560 25969 2169 1 4 . 1 1 32 32 LYS H H 32 8.154 8.154 7.713 0.441 25969 2170 1 4 . 1 1 33 33 GLY N N 33 109.017 109.017 106.083 2.934 25969 2171 1 4 . 1 1 33 33 GLY C C 33 171.798 171.798 173.385 -1.587 25969 2172 1 4 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.686 -0.035 25969 2173 1 4 . 1 1 33 33 GLY H H 33 8.945 8.945 8.058 0.887 25969 2174 1 4 . 1 1 34 34 SER N N 34 110.165 110.165 114.546 -4.381 25969 2175 1 4 . 1 1 34 34 SER HA H 34 4.136 4.136 5.183 -1.047 25969 2176 1 4 . 1 1 34 34 SER C C 34 172.862 172.862 173.738 -0.876 25969 2177 1 4 . 1 1 34 34 SER CA C 34 56.673 56.673 58.066 -1.393 25969 2178 1 4 . 1 1 34 34 SER CB C 34 64.621 64.621 66.407 -1.786 25969 2179 1 4 . 1 1 34 34 SER H H 34 6.756 6.756 7.727 -0.971 25969 2180 1 4 . 1 1 35 35 PHE N N 35 121.132 121.132 122.495 -1.363 25969 2181 1 4 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.814 0.300 25969 2182 1 4 . 1 1 35 35 PHE C C 35 172.888 172.888 176.252 -3.364 25969 2183 1 4 . 1 1 35 35 PHE CA C 35 59.260 59.260 59.995 -0.736 25969 2184 1 4 . 1 1 35 35 PHE CB C 35 40.488 40.488 39.977 0.511 25969 2185 1 4 . 1 1 35 35 PHE H H 35 9.403 9.403 8.828 0.575 25969 2186 1 4 . 1 1 36 36 LYS N N 36 114.841 114.841 120.044 -5.203 25969 2187 1 4 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.321 0.063 25969 2188 1 4 . 1 1 36 36 LYS C C 36 177.118 177.118 176.865 0.253 25969 2189 1 4 . 1 1 36 36 LYS CA C 36 56.272 56.272 57.458 -1.186 25969 2190 1 4 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.334 -0.237 25969 2191 1 4 . 1 1 36 36 LYS H H 36 8.536 8.536 8.119 0.417 25969 2192 1 4 . 1 1 37 37 LEU N N 37 124.789 124.789 118.504 6.285 25969 2193 1 4 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.700 -0.250 25969 2194 1 4 . 1 1 37 37 LEU C C 37 177.535 177.535 176.701 0.834 25969 2195 1 4 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.264 2.478 25969 2196 1 4 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.377 1.874 25969 2197 1 4 . 1 1 37 37 LEU H H 37 8.503 8.503 8.420 0.083 25969 2198 1 4 . 1 1 38 38 THR N N 38 108.556 108.556 113.173 -4.617 25969 2199 1 4 . 1 1 38 38 THR HA H 38 4.619 4.619 4.575 0.044 25969 2200 1 4 . 1 1 38 38 THR C C 38 173.947 173.947 173.169 0.778 25969 2201 1 4 . 1 1 38 38 THR CA C 38 58.944 58.944 60.808 -1.864 25969 2202 1 4 . 1 1 38 38 THR CB C 38 71.818 71.818 71.071 0.747 25969 2203 1 4 . 1 1 38 38 THR H H 38 8.189 8.189 7.418 0.771 25969 2204 1 4 . 1 1 39 39 SER N N 39 110.757 110.757 118.996 -8.239 25969 2205 1 4 . 1 1 39 39 SER HA H 39 4.057 4.057 4.276 -0.219 25969 2206 1 4 . 1 1 39 39 SER C C 39 174.904 174.904 174.631 0.273 25969 2207 1 4 . 1 1 39 39 SER CA C 39 60.938 60.938 59.725 1.213 25969 2208 1 4 . 1 1 39 39 SER CB C 39 63.218 63.218 63.436 -0.218 25969 2209 1 4 . 1 1 39 39 SER H H 39 8.590 8.590 8.499 0.091 25969 2210 1 4 . 1 1 40 40 THR N N 40 129.807 129.807 112.726 17.081 25969 2211 1 4 . 1 1 40 40 THR HA H 40 4.453 4.453 3.805 0.648 25969 2212 1 4 . 1 1 40 40 THR C C 40 174.928 174.928 173.083 1.845 25969 2213 1 4 . 1 1 40 40 THR CA C 40 60.351 60.351 62.898 -2.547 25969 2214 1 4 . 1 1 40 40 THR CB C 40 69.910 69.910 67.477 2.433 25969 2215 1 4 . 1 1 40 40 THR H H 40 7.570 7.570 8.383 -0.813 25969 2216 1 4 . 1 1 41 41 LYS N N 41 125.614 125.614 119.743 5.871 25969 2217 1 4 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.624 0.088 25969 2218 1 4 . 1 1 41 41 LYS C C 41 174.907 174.907 174.226 0.681 25969 2219 1 4 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.832 0.906 25969 2220 1 4 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.881 1.161 25969 2221 1 4 . 1 1 41 41 LYS H H 41 7.425 7.425 7.827 -0.402 25969 2222 1 4 . 1 1 42 42 TRP N N 42 124.827 124.827 122.962 1.865 25969 2223 1 4 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.109 -0.007 25969 2224 1 4 . 1 1 42 42 TRP C C 42 173.384 173.384 174.643 -1.259 25969 2225 1 4 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.969 1.433 25969 2226 1 4 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.831 0.060 25969 2227 1 4 . 1 1 42 42 TRP H H 42 8.590 8.590 8.679 -0.089 25969 2228 1 4 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.548 -0.101 25969 2229 1 4 . 1 1 43 43 PRO C C 43 174.990 174.990 176.156 -1.166 25969 2230 1 4 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.843 -0.292 25969 2231 1 4 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.460 -0.365 25969 2232 1 4 . 1 1 44 44 GLU N N 44 120.080 120.080 122.158 -2.078 25969 2233 1 4 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.192 -0.227 25969 2234 1 4 . 1 1 44 44 GLU C C 44 175.699 175.699 176.507 -0.808 25969 2235 1 4 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.436 -0.230 25969 2236 1 4 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.707 -1.125 25969 2237 1 4 . 1 1 44 44 GLU H H 44 8.134 8.134 8.465 -0.331 25969 2238 1 4 . 1 1 45 45 LEU N N 45 125.972 125.972 122.937 3.035 25969 2239 1 4 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.665 -0.703 25969 2240 1 4 . 1 1 45 45 LEU C C 45 176.242 176.242 174.993 1.249 25969 2241 1 4 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.728 -0.998 25969 2242 1 4 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.569 -0.257 25969 2243 1 4 . 1 1 45 45 LEU H H 45 8.363 8.363 8.132 0.231 25969 2244 1 4 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.274 -0.100 25969 2245 1 4 . 1 1 46 46 PRO C C 46 177.702 177.702 176.266 1.436 25969 2246 1 4 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.147 0.673 25969 2247 1 4 . 1 1 46 46 PRO CB C 46 31.561 31.561 32.000 -0.439 25969 2248 1 4 . 1 1 47 47 VAL N N 47 119.474 119.474 119.200 0.274 25969 2249 1 4 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.877 0.358 25969 2250 1 4 . 1 1 47 47 VAL C C 47 175.178 175.178 174.940 0.238 25969 2251 1 4 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.462 -0.446 25969 2252 1 4 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.343 -0.195 25969 2253 1 4 . 1 1 47 47 VAL H H 47 7.836 7.836 7.944 -0.108 25969 2254 1 4 . 1 1 48 48 LYS N N 48 124.385 124.385 123.455 0.930 25969 2255 1 4 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.643 -0.334 25969 2256 1 4 . 1 1 48 48 LYS C C 48 176.534 176.534 175.599 0.935 25969 2257 1 4 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.171 0.970 25969 2258 1 4 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.456 0.376 25969 2259 1 4 . 1 1 48 48 LYS H H 48 8.638 8.638 8.387 0.251 25969 2260 1 4 . 1 1 49 49 GLU N N 49 118.262 118.262 117.847 0.415 25969 2261 1 4 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.635 0.596 25969 2262 1 4 . 1 1 49 49 GLU C C 49 174.552 174.552 174.295 0.257 25969 2263 1 4 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.802 -0.531 25969 2264 1 4 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.584 1.714 25969 2265 1 4 . 1 1 49 49 GLU H H 49 7.473 7.473 7.645 -0.172 25969 2266 1 4 . 1 1 50 50 ALA N N 50 124.186 124.186 127.993 -3.807 25969 2267 1 4 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.530 -0.079 25969 2268 1 4 . 1 1 50 50 ALA C C 50 177.890 177.890 176.730 1.160 25969 2269 1 4 . 1 1 50 50 ALA CA C 50 53.133 53.133 53.154 -0.021 25969 2270 1 4 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.578 3.035 25969 2271 1 4 . 1 1 50 50 ALA H H 50 8.902 8.902 8.987 -0.085 25969 2272 1 4 . 1 1 51 51 GLY N N 51 109.041 109.041 104.598 4.443 25969 2273 1 4 . 1 1 51 51 GLY C C 51 173.759 173.759 174.577 -0.818 25969 2274 1 4 . 1 1 51 51 GLY CA C 51 47.657 47.657 45.855 1.802 25969 2275 1 4 . 1 1 51 51 GLY H H 51 9.113 9.113 7.971 1.142 25969 2276 1 4 . 1 1 52 52 GLY N N 52 104.272 104.272 107.153 -2.881 25969 2277 1 4 . 1 1 52 52 GLY C C 52 174.156 174.156 172.959 1.197 25969 2278 1 4 . 1 1 52 52 GLY CA C 52 45.520 45.520 44.718 0.802 25969 2279 1 4 . 1 1 52 52 GLY H H 52 8.873 8.873 8.538 0.335 25969 2280 1 4 . 1 1 53 53 PHE N N 53 120.324 120.324 119.534 0.790 25969 2281 1 4 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.575 -0.418 25969 2282 1 4 . 1 1 53 53 PHE C C 53 175.574 175.574 174.114 1.460 25969 2283 1 4 . 1 1 53 53 PHE CA C 53 56.940 56.940 54.807 2.133 25969 2284 1 4 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.267 -1.887 25969 2285 1 4 . 1 1 53 53 PHE H H 53 8.278 8.278 7.621 0.657 25969 2286 1 4 . 1 1 54 54 CYS N N 54 116.465 116.465 118.065 -1.600 25969 2287 1 4 . 1 1 54 54 CYS HA H 54 5.660 5.660 5.066 0.594 25969 2288 1 4 . 1 1 54 54 CYS C C 54 173.092 173.092 173.215 -0.123 25969 2289 1 4 . 1 1 54 54 CYS CA C 54 54.997 54.997 56.029 -1.032 25969 2290 1 4 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.260 15.236 25969 2291 1 4 . 1 1 54 54 CYS H H 54 9.911 9.911 9.267 0.644 25969 2292 1 4 . 1 1 55 55 ILE N N 55 119.910 119.910 123.496 -3.586 25969 2293 1 4 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.224 0.087 25969 2294 1 4 . 1 1 55 55 ILE C C 55 175.366 175.366 175.859 -0.493 25969 2295 1 4 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.124 0.356 25969 2296 1 4 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.066 -0.367 25969 2297 1 4 . 1 1 55 55 ILE H H 55 7.971 7.971 8.301 -0.330 25969 2298 1 4 . 1 1 56 56 ARG N N 56 122.445 122.445 120.865 1.580 25969 2299 1 4 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.734 -0.113 25969 2300 1 4 . 1 1 56 56 ARG C C 56 174.948 174.948 174.276 0.672 25969 2301 1 4 . 1 1 56 56 ARG CA C 56 53.467 53.467 53.987 -0.520 25969 2302 1 4 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.145 1.266 25969 2303 1 4 . 1 1 56 56 ARG H H 56 8.927 8.927 8.173 0.754 25969 2304 1 4 . 1 1 57 57 MET N N 57 119.875 119.875 119.904 -0.029 25969 2305 1 4 . 1 1 57 57 MET HA H 57 4.574 4.574 4.417 0.157 25969 2306 1 4 . 1 1 57 57 MET C C 57 175.845 175.845 176.097 -0.252 25969 2307 1 4 . 1 1 57 57 MET CA C 57 55.204 55.204 55.997 -0.793 25969 2308 1 4 . 1 1 57 57 MET CB C 57 32.162 32.162 33.975 -1.813 25969 2309 1 4 . 1 1 57 57 MET H H 57 9.022 9.022 8.684 0.338 25969 2310 1 4 . 1 1 58 58 SER N N 58 114.338 114.338 117.332 -2.994 25969 2311 1 4 . 1 1 58 58 SER HA H 58 5.138 5.138 4.337 0.801 25969 2312 1 4 . 1 1 58 58 SER C C 58 175.866 175.866 175.220 0.646 25969 2313 1 4 . 1 1 58 58 SER CA C 58 56.084 56.084 59.293 -3.209 25969 2314 1 4 . 1 1 58 58 SER CB C 58 63.977 63.977 63.981 -0.004 25969 2315 1 4 . 1 1 58 58 SER H H 58 8.559 8.559 8.542 0.017 25969 2316 1 4 . 1 1 59 59 GLY N N 59 116.880 116.880 108.324 8.556 25969 2317 1 4 . 1 1 59 59 GLY C C 59 172.257 172.257 173.825 -1.568 25969 2318 1 4 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.035 -1.333 25969 2319 1 4 . 1 1 59 59 GLY H H 59 8.919 8.919 8.047 0.872 25969 2320 1 4 . 1 1 60 60 GLN N N 60 121.745 121.745 118.951 2.794 25969 2321 1 4 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.453 -0.062 25969 2322 1 4 . 1 1 60 60 GLN C C 60 177.222 177.222 177.209 0.013 25969 2323 1 4 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.224 -0.219 25969 2324 1 4 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.079 -0.237 25969 2325 1 4 . 1 1 60 60 GLN H H 60 8.575 8.575 8.405 0.170 25969 2326 1 4 . 1 1 61 61 ALA N N 61 128.305 128.305 125.955 2.350 25969 2327 1 4 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.891 -0.492 25969 2328 1 4 . 1 1 61 61 ALA C C 61 178.704 178.704 179.465 -0.761 25969 2329 1 4 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.578 0.712 25969 2330 1 4 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.780 -1.848 25969 2331 1 4 . 1 1 61 61 ALA H H 61 8.576 8.576 8.113 0.463 25969 2332 1 4 . 1 1 62 62 LYS N N 62 114.337 114.337 118.265 -3.928 25969 2333 1 4 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.236 -0.060 25969 2334 1 4 . 1 1 62 62 LYS C C 62 177.327 177.327 177.407 -0.080 25969 2335 1 4 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.601 0.475 25969 2336 1 4 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.493 -0.198 25969 2337 1 4 . 1 1 62 62 LYS H H 62 8.272 8.272 8.048 0.224 25969 2338 1 4 . 1 1 63 63 GLY N N 63 107.059 107.059 109.343 -2.284 25969 2339 1 4 . 1 1 63 63 GLY C C 63 173.759 173.759 173.435 0.324 25969 2340 1 4 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.277 0.508 25969 2341 1 4 . 1 1 63 63 GLY H H 63 7.813 7.813 8.083 -0.270 25969 2342 1 4 . 1 1 64 64 ILE N N 64 122.496 122.496 122.342 0.154 25969 2343 1 4 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.330 0.126 25969 2344 1 4 . 1 1 64 64 ILE C C 64 176.033 176.033 176.386 -0.353 25969 2345 1 4 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.627 0.916 25969 2346 1 4 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.232 -2.260 25969 2347 1 4 . 1 1 64 64 ILE H H 64 7.256 7.256 7.306 -0.050 25969 2348 1 4 . 1 1 65 65 LEU N N 65 128.858 128.858 123.235 5.623 25969 2349 1 4 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.127 0.126 25969 2350 1 4 . 1 1 65 65 LEU C C 65 178.203 178.203 175.890 2.313 25969 2351 1 4 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.339 -0.801 25969 2352 1 4 . 1 1 65 65 LEU CB C 65 42.536 42.536 41.998 0.538 25969 2353 1 4 . 1 1 65 65 LEU H H 65 8.417 8.417 8.547 -0.130 25969 2354 1 4 . 1 1 66 66 GLU N N 66 119.109 119.109 123.855 -4.746 25969 2355 1 4 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.546 -0.305 25969 2356 1 4 . 1 1 66 66 GLU C C 66 177.436 177.436 176.513 0.923 25969 2357 1 4 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.061 1.197 25969 2358 1 4 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.506 -2.407 25969 2359 1 4 . 1 1 66 66 GLU H H 66 8.590 8.590 8.398 0.192 25969 2360 1 4 . 1 1 67 67 GLY N N 67 108.490 108.490 112.274 -3.784 25969 2361 1 4 . 1 1 67 67 GLY C C 67 173.551 173.551 173.866 -0.315 25969 2362 1 4 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.975 0.146 25969 2363 1 4 . 1 1 67 67 GLY H H 67 9.498 9.498 8.934 0.564 25969 2364 1 4 . 1 1 68 68 LYS N N 68 117.773 117.773 118.828 -1.055 25969 2365 1 4 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.487 0.309 25969 2366 1 4 . 1 1 68 68 LYS C C 68 175.637 175.637 174.681 0.956 25969 2367 1 4 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.689 -0.420 25969 2368 1 4 . 1 1 68 68 LYS CB C 68 35.702 35.702 34.889 0.813 25969 2369 1 4 . 1 1 68 68 LYS H H 68 7.604 7.604 7.530 0.074 25969 2370 1 4 . 1 1 69 69 PHE N N 69 114.518 114.518 122.532 -8.014 25969 2371 1 4 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.530 -0.058 25969 2372 1 4 . 1 1 69 69 PHE C C 69 172.591 172.591 174.089 -1.498 25969 2373 1 4 . 1 1 69 69 PHE CA C 69 59.078 59.078 56.092 2.986 25969 2374 1 4 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.507 0.870 25969 2375 1 4 . 1 1 69 69 PHE H H 69 8.439 8.439 8.673 -0.234 25969 2376 1 4 . 1 1 70 70 THR N N 70 115.260 115.260 117.555 -2.295 25969 2377 1 4 . 1 1 70 70 THR HA H 70 4.602 4.602 4.766 -0.164 25969 2378 1 4 . 1 1 70 70 THR C C 70 172.508 172.508 172.620 -0.112 25969 2379 1 4 . 1 1 70 70 THR CA C 70 62.484 62.484 61.402 1.082 25969 2380 1 4 . 1 1 70 70 THR CB C 70 71.367 71.367 71.899 -0.532 25969 2381 1 4 . 1 1 70 70 THR H H 70 8.474 8.474 8.369 0.105 25969 2382 1 4 . 1 1 71 71 LEU N N 71 128.144 128.144 123.176 4.968 25969 2383 1 4 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.759 -0.251 25969 2384 1 4 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.462 0.473 25969 2385 1 4 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.886 0.969 25969 2386 1 4 . 1 1 71 71 LEU H H 71 9.284 9.284 8.042 1.242 25969 2387 1 4 . 1 1 72 72 LYS N N 72 122.603 122.603 121.194 1.409 25969 2388 1 4 . 1 1 72 72 LYS HA H 72 5.388 5.388 5.060 0.328 25969 2389 1 4 . 1 1 72 72 LYS C C 72 171.972 171.972 174.544 -2.572 25969 2390 1 4 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.169 0.233 25969 2391 1 4 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.993 2.599 25969 2392 1 4 . 1 1 72 72 LYS H H 72 9.123 9.123 7.907 1.216 25969 2393 1 4 . 1 1 73 73 ALA N N 73 128.927 128.927 127.643 1.284 25969 2394 1 4 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.519 0.332 25969 2395 1 4 . 1 1 73 73 ALA C C 73 175.324 175.324 175.610 -0.286 25969 2396 1 4 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.577 -0.451 25969 2397 1 4 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.555 -1.079 25969 2398 1 4 . 1 1 73 73 ALA H H 73 9.178 9.178 8.890 0.288 25969 2399 1 4 . 1 1 74 74 VAL N N 74 123.425 123.425 120.898 2.527 25969 2400 1 4 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.086 0.053 25969 2401 1 4 . 1 1 74 74 VAL C C 74 173.425 173.425 174.163 -0.738 25969 2402 1 4 . 1 1 74 74 VAL CA C 74 60.850 60.850 59.865 0.985 25969 2403 1 4 . 1 1 74 74 VAL CB C 74 35.768 35.768 36.343 -0.575 25969 2404 1 4 . 1 1 74 74 VAL H H 74 8.727 8.727 8.749 -0.022 25969 2405 1 4 . 1 1 75 75 ALA N N 75 130.762 130.762 127.162 3.600 25969 2406 1 4 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.379 0.279 25969 2407 1 4 . 1 1 75 75 ALA C C 75 177.327 177.327 178.656 -1.329 25969 2408 1 4 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.031 1.169 25969 2409 1 4 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.958 0.648 25969 2410 1 4 . 1 1 75 75 ALA H H 75 9.164 9.164 7.537 1.627 25969 2411 1 4 . 1 1 76 76 LEU N N 76 119.175 119.175 123.044 -3.869 25969 2412 1 4 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.064 -0.270 25969 2413 1 4 . 1 1 76 76 LEU C C 76 178.036 178.036 177.951 0.085 25969 2414 1 4 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.249 1.027 25969 2415 1 4 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.173 -0.327 25969 2416 1 4 . 1 1 76 76 LEU H H 76 8.269 8.269 8.813 -0.544 25969 2417 1 4 . 1 1 77 77 ASP N N 77 115.777 115.777 115.075 0.702 25969 2418 1 4 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.802 -0.006 25969 2419 1 4 . 1 1 77 77 ASP C C 77 176.012 176.012 176.659 -0.647 25969 2420 1 4 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.922 -2.191 25969 2421 1 4 . 1 1 77 77 ASP CB C 77 40.176 40.176 39.865 0.311 25969 2422 1 4 . 1 1 77 77 ASP H H 77 7.715 7.715 8.261 -0.546 25969 2423 1 4 . 1 1 78 78 ARG N N 78 122.846 122.846 119.803 3.043 25969 2424 1 4 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.067 0.016 25969 2425 1 4 . 1 1 78 78 ARG C C 78 177.869 177.869 176.891 0.978 25969 2426 1 4 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.376 -0.968 25969 2427 1 4 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.253 0.371 25969 2428 1 4 . 1 1 78 78 ARG H H 78 8.408 8.408 7.279 1.129 25969 2429 1 4 . 1 1 79 79 GLU N N 79 118.091 118.091 118.756 -0.665 25969 2430 1 4 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.039 -0.020 25969 2431 1 4 . 1 1 79 79 GLU C C 79 177.930 177.930 177.126 0.804 25969 2432 1 4 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.409 -0.085 25969 2433 1 4 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.231 -0.097 25969 2434 1 4 . 1 1 79 79 GLU H H 79 7.888 7.888 8.321 -0.433 25969 2435 1 4 . 1 1 80 80 ALA N N 80 120.528 120.528 118.766 1.762 25969 2436 1 4 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.430 -0.328 25969 2437 1 4 . 1 1 80 80 ALA C C 80 178.142 178.142 176.681 1.461 25969 2438 1 4 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.836 0.231 25969 2439 1 4 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.638 -1.366 25969 2440 1 4 . 1 1 80 80 ALA H H 80 7.175 7.175 8.022 -0.847 25969 2441 1 4 . 1 1 81 81 GLU N N 81 115.377 115.377 117.579 -2.202 25969 2442 1 4 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.884 -0.122 25969 2443 1 4 . 1 1 81 81 GLU C C 81 171.047 171.047 174.950 -3.903 25969 2444 1 4 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.691 -0.493 25969 2445 1 4 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.015 1.678 25969 2446 1 4 . 1 1 81 81 GLU H H 81 7.457 7.457 7.532 -0.075 25969 2447 1 4 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.159 0.538 25969 2448 1 4 . 1 1 82 82 PRO C C 82 177.636 177.636 176.906 0.730 25969 2449 1 4 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.684 -1.093 25969 2450 1 4 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.941 0.891 25969 2451 1 4 . 1 1 83 83 ARG N N 83 118.488 118.488 117.836 0.652 25969 2452 1 4 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.615 -0.041 25969 2453 1 4 . 1 1 83 83 ARG C C 83 176.870 176.870 175.570 1.300 25969 2454 1 4 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.227 -0.183 25969 2455 1 4 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.821 0.355 25969 2456 1 4 . 1 1 83 83 ARG H H 83 8.554 8.554 8.109 0.445 25969 2457 1 4 . 1 1 84 84 VAL N N 84 111.376 111.376 119.909 -8.533 25969 2458 1 4 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.132 -0.105 25969 2459 1 4 . 1 1 84 84 VAL C C 84 174.302 174.302 174.553 -0.251 25969 2460 1 4 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.158 -0.615 25969 2461 1 4 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.361 0.329 25969 2462 1 4 . 1 1 84 84 VAL H H 84 8.304 8.304 8.362 -0.058 25969 2463 1 4 . 1 1 85 85 LEU N N 85 122.000 122.000 122.081 -0.081 25969 2464 1 4 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.169 0.159 25969 2465 1 4 . 1 1 85 85 LEU C C 85 175.491 175.491 174.261 1.230 25969 2466 1 4 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.320 -0.454 25969 2467 1 4 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.816 0.306 25969 2468 1 4 . 1 1 85 85 LEU H H 85 8.095 8.095 8.865 -0.770 25969 2469 1 4 . 1 1 86 86 ARG N N 86 119.409 119.409 121.493 -2.084 25969 2470 1 4 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.331 0.139 25969 2471 1 4 . 1 1 86 86 ARG C C 86 174.928 174.928 173.365 1.563 25969 2472 1 4 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.834 -0.632 25969 2473 1 4 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.258 1.377 25969 2474 1 4 . 1 1 86 86 ARG H H 86 8.851 8.851 8.208 0.643 25969 2475 1 4 . 1 1 87 87 LEU N N 87 122.550 122.550 123.880 -1.330 25969 2476 1 4 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.078 -0.004 25969 2477 1 4 . 1 1 87 87 LEU C C 87 174.406 174.406 174.290 0.116 25969 2478 1 4 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.946 1.058 25969 2479 1 4 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.373 1.751 25969 2480 1 4 . 1 1 87 87 LEU H H 87 8.798 8.798 8.102 0.696 25969 2481 1 4 . 1 1 88 88 ASN N N 88 125.347 125.347 123.635 1.712 25969 2482 1 4 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.512 -0.089 25969 2483 1 4 . 1 1 88 88 ASN C C 88 176.576 176.576 176.827 -0.251 25969 2484 1 4 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.602 -0.739 25969 2485 1 4 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.242 0.334 25969 2486 1 4 . 1 1 88 88 ASN H H 88 7.376 7.376 8.170 -0.794 25969 2487 1 4 . 1 1 89 89 GLU N N 89 114.953 114.953 118.721 -3.768 25969 2488 1 4 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.265 -0.869 25969 2489 1 4 . 1 1 89 89 GLU C C 89 176.684 176.684 177.091 -0.407 25969 2490 1 4 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.910 -0.370 25969 2491 1 4 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.732 -0.862 25969 2492 1 4 . 1 1 89 89 GLU H H 89 7.586 7.586 8.360 -0.774 25969 2493 1 4 . 1 1 90 90 SER N N 90 117.110 117.110 113.780 3.330 25969 2494 1 4 . 1 1 90 90 SER HA H 90 4.442 4.442 4.383 0.059 25969 2495 1 4 . 1 1 90 90 SER C C 90 174.051 174.051 175.186 -1.135 25969 2496 1 4 . 1 1 90 90 SER CA C 90 58.895 58.895 58.146 0.749 25969 2497 1 4 . 1 1 90 90 SER CB C 90 63.886 63.886 63.583 0.303 25969 2498 1 4 . 1 1 90 90 SER H H 90 7.385 7.385 7.720 -0.335 25969 2499 1 4 . 1 1 91 91 LEU N N 91 116.559 116.559 118.976 -2.417 25969 2500 1 4 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.045 -0.348 25969 2501 1 4 . 1 1 91 91 LEU C C 91 175.825 175.825 175.728 0.097 25969 2502 1 4 . 1 1 91 91 LEU CA C 91 56.042 56.042 56.039 0.002 25969 2503 1 4 . 1 1 91 91 LEU CB C 91 37.705 37.705 38.982 -1.277 25969 2504 1 4 . 1 1 91 91 LEU H H 91 8.704 8.704 7.688 1.016 25969 2505 1 4 . 1 1 92 92 THR N N 92 115.529 115.529 115.689 -0.160 25969 2506 1 4 . 1 1 92 92 THR HA H 92 4.254 4.254 4.406 -0.152 25969 2507 1 4 . 1 1 92 92 THR C C 92 173.425 173.425 173.079 0.346 25969 2508 1 4 . 1 1 92 92 THR CA C 92 62.617 62.617 62.992 -0.374 25969 2509 1 4 . 1 1 92 92 THR CB C 92 69.096 69.096 69.753 -0.657 25969 2510 1 4 . 1 1 92 92 THR H H 92 7.704 7.704 7.737 -0.033 25969 2511 1 4 . 1 1 93 93 ALA N N 93 130.459 130.459 131.039 -0.580 25969 2512 1 4 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.397 0.290 25969 2513 1 4 . 1 1 93 93 ALA C C 93 177.201 177.201 175.429 1.772 25969 2514 1 4 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.627 0.635 25969 2515 1 4 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.016 -0.206 25969 2516 1 4 . 1 1 93 93 ALA H H 93 9.002 9.002 8.415 0.587 25969 2517 1 4 . 1 1 94 94 VAL N N 94 117.872 117.872 120.700 -2.828 25969 2518 1 4 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.823 0.081 25969 2519 1 4 . 1 1 94 94 VAL C C 94 173.613 173.613 173.719 -0.106 25969 2520 1 4 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.586 -0.907 25969 2521 1 4 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.325 -0.289 25969 2522 1 4 . 1 1 94 94 VAL H H 94 8.833 8.833 8.175 0.658 25969 2523 1 4 . 1 1 95 95 VAL N N 95 121.842 121.842 128.153 -6.311 25969 2524 1 4 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.826 0.427 25969 2525 1 4 . 1 1 95 95 VAL C C 95 174.552 174.552 173.659 0.893 25969 2526 1 4 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.582 -0.640 25969 2527 1 4 . 1 1 95 95 VAL CB C 95 34.900 34.900 33.885 1.015 25969 2528 1 4 . 1 1 95 95 VAL H H 95 9.286 9.286 8.748 0.538 25969 2529 1 4 . 1 1 96 96 CYS N N 96 126.839 126.839 124.230 2.609 25969 2530 1 4 . 1 1 96 96 CYS HA H 96 5.423 5.423 4.932 0.491 25969 2531 1 4 . 1 1 96 96 CYS C C 96 174.135 174.135 175.524 -1.389 25969 2532 1 4 . 1 1 96 96 CYS CA C 96 54.269 54.269 58.018 -3.749 25969 2533 1 4 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.772 15.683 25969 2534 1 4 . 1 1 96 96 CYS H H 96 9.452 9.452 8.999 0.453 25969 2535 1 4 . 1 1 97 97 GLY N N 97 109.718 109.718 108.519 1.199 25969 2536 1 4 . 1 1 97 97 GLY C C 97 172.639 172.639 172.850 -0.211 25969 2537 1 4 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.264 1.123 25969 2538 1 4 . 1 1 97 97 GLY H H 97 8.355 8.355 8.842 -0.487 25969 2539 1 4 . 1 1 98 98 LYS N N 98 114.844 114.844 120.003 -5.159 25969 2540 1 4 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.671 0.073 25969 2541 1 4 . 1 1 98 98 LYS C C 98 174.051 174.051 174.505 -0.454 25969 2542 1 4 . 1 1 98 98 LYS CA C 98 54.336 54.336 54.928 -0.592 25969 2543 1 4 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.368 0.160 25969 2544 1 4 . 1 1 98 98 LYS H H 98 7.632 7.632 7.909 -0.277 25969 2545 1 4 . 1 1 99 99 MET N N 99 124.801 124.801 126.923 -2.122 25969 2546 1 4 . 1 1 99 99 MET HA H 99 5.017 5.017 4.729 0.288 25969 2547 1 4 . 1 1 99 99 MET C C 99 176.337 176.337 174.590 1.747 25969 2548 1 4 . 1 1 99 99 MET CA C 99 54.803 54.803 55.279 -0.476 25969 2549 1 4 . 1 1 99 99 MET CB C 99 34.646 34.646 33.728 0.917 25969 2550 1 4 . 1 1 99 99 MET H H 99 8.759 8.759 8.840 -0.081 25969 2551 1 4 . 1 1 100 100 LYS N N 100 126.252 126.252 125.672 0.580 25969 2552 1 4 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.357 0.019 25969 2553 1 4 . 1 1 100 100 LYS C C 100 177.222 177.222 177.366 -0.144 25969 2554 1 4 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.047 -0.592 25969 2555 1 4 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.139 -0.710 25969 2556 1 4 . 1 1 100 100 LYS H H 100 8.602 8.602 8.078 0.524 25969 2557 1 4 . 1 1 101 101 GLY N N 101 108.944 108.944 106.698 2.246 25969 2558 1 4 . 1 1 101 101 GLY C C 101 173.613 173.613 174.312 -0.699 25969 2559 1 4 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.399 0.186 25969 2560 1 4 . 1 1 101 101 GLY H H 101 8.385 8.385 7.604 0.780 25969 2561 1 4 . 1 1 102 102 LYS N N 102 118.594 118.594 119.468 -0.874 25969 2562 1 4 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.007 0.407 25969 2563 1 4 . 1 1 102 102 LYS C C 102 176.867 176.867 176.265 0.602 25969 2564 1 4 . 1 1 102 102 LYS CA C 102 55.872 55.872 58.100 -2.228 25969 2565 1 4 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.429 1.594 25969 2566 1 4 . 1 1 102 102 LYS H H 102 8.436 8.436 7.888 0.548 25969 2567 1 4 . 1 1 103 103 GLY N N 103 110.581 110.581 109.006 1.575 25969 2568 1 4 . 1 1 103 103 GLY C C 103 171.631 171.631 172.402 -0.771 25969 2569 1 4 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.469 1.451 25969 2570 1 4 . 1 1 103 103 GLY H H 103 8.443 8.443 7.891 0.552 25969 2571 1 4 . 1 1 104 104 SER N N 104 113.710 113.710 115.556 -1.846 25969 2572 1 4 . 1 1 104 104 SER HA H 104 4.697 4.697 4.714 -0.017 25969 2573 1 4 . 1 1 104 104 SER C C 104 174.680 174.680 174.436 0.244 25969 2574 1 4 . 1 1 104 104 SER CA C 104 57.331 57.331 56.230 1.101 25969 2575 1 4 . 1 1 104 104 SER CB C 104 66.178 66.178 65.542 0.636 25969 2576 1 4 . 1 1 104 104 SER H H 104 8.535 8.535 7.926 0.609 25969 2577 1 4 . 1 1 105 105 CYS N N 105 118.835 118.835 122.364 -3.529 25969 2578 1 4 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.372 0.240 25969 2579 1 4 . 1 1 105 105 CYS C C 105 176.502 176.502 176.078 0.424 25969 2580 1 4 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.551 -3.415 25969 2581 1 4 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.241 13.171 25969 2582 1 4 . 1 1 105 105 CYS H H 105 10.009 10.009 8.911 1.098 25969 2583 1 4 . 1 1 106 106 THR N N 106 107.957 107.957 113.898 -5.941 25969 2584 1 4 . 1 1 106 106 THR HA H 106 4.574 4.574 3.869 0.705 25969 2585 1 4 . 1 1 106 106 THR C C 106 175.178 175.178 173.344 1.834 25969 2586 1 4 . 1 1 106 106 THR CA C 106 61.014 61.014 64.179 -3.165 25969 2587 1 4 . 1 1 106 106 THR CB C 106 68.495 68.495 68.178 0.317 25969 2588 1 4 . 1 1 106 106 THR H H 106 8.030 8.030 8.510 -0.480 25969 2589 1 4 . 1 1 107 107 ASP N N 107 120.763 120.763 117.627 3.136 25969 2590 1 4 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.690 -0.370 25969 2591 1 4 . 1 1 107 107 ASP C C 107 177.264 177.264 176.294 0.970 25969 2592 1 4 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.788 0.216 25969 2593 1 4 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.784 -2.940 25969 2594 1 4 . 1 1 107 107 ASP H H 107 7.531 7.531 7.788 -0.257 25969 2595 1 4 . 1 1 108 108 GLY N N 108 108.602 108.602 109.389 -0.787 25969 2596 1 4 . 1 1 108 108 GLY C C 108 174.698 174.698 173.753 0.945 25969 2597 1 4 . 1 1 108 108 GLY CA C 108 45.653 45.653 44.996 0.657 25969 2598 1 4 . 1 1 108 108 GLY H H 108 8.591 8.591 7.950 0.641 25969 2599 1 4 . 1 1 109 109 GLU N N 109 120.191 120.191 120.149 0.042 25969 2600 1 4 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.204 0.248 25969 2601 1 4 . 1 1 109 109 GLU C C 109 176.472 176.472 176.418 0.054 25969 2602 1 4 . 1 1 109 109 GLU CA C 109 55.678 55.678 57.491 -1.813 25969 2603 1 4 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.732 0.152 25969 2604 1 4 . 1 1 109 109 GLU H H 109 8.292 8.292 7.958 0.334 25969 2605 1 4 . 1 1 110 110 GLU N N 110 116.857 116.857 121.449 -4.592 25969 2606 1 4 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.310 -0.094 25969 2607 1 4 . 1 1 110 110 GLU C C 110 176.381 176.381 174.944 1.437 25969 2608 1 4 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.849 0.287 25969 2609 1 4 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.376 -0.103 25969 2610 1 4 . 1 1 110 110 GLU H H 110 9.028 9.028 8.758 0.270 25969 2611 1 4 . 1 1 111 111 ILE N N 111 109.164 109.164 113.460 -4.296 25969 2612 1 4 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.834 0.001 25969 2613 1 4 . 1 1 111 111 ILE C C 111 176.868 176.868 174.459 2.409 25969 2614 1 4 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.475 -0.333 25969 2615 1 4 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.668 1.447 25969 2616 1 4 . 1 1 111 111 ILE H H 111 7.022 7.022 7.174 -0.152 25969 2617 1 4 . 1 1 112 112 PHE N N 112 118.509 118.509 123.570 -5.061 25969 2618 1 4 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.916 0.196 25969 2619 1 4 . 1 1 112 112 PHE C C 112 174.171 174.171 173.631 0.540 25969 2620 1 4 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.600 2.191 25969 2621 1 4 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.742 3.116 25969 2622 1 4 . 1 1 112 112 PHE H H 112 8.605 8.605 7.993 0.612 25969 2623 1 4 . 1 1 113 113 ARG N N 113 119.908 119.908 124.207 -4.299 25969 2624 1 4 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.426 0.346 25969 2625 1 4 . 1 1 113 113 ARG C C 113 176.930 176.930 175.993 0.937 25969 2626 1 4 . 1 1 113 113 ARG CA C 113 55.404 55.404 53.957 1.447 25969 2627 1 4 . 1 1 113 113 ARG CB C 113 33.431 33.431 31.336 2.095 25969 2628 1 4 . 1 1 113 113 ARG H H 113 9.352 9.352 7.578 1.774 25969 2629 1 4 . 1 1 114 114 GLY N N 114 109.477 109.477 112.509 -3.032 25969 2630 1 4 . 1 1 114 114 GLY C C 114 173.738 173.738 173.837 -0.099 25969 2631 1 4 . 1 1 114 114 GLY CA C 114 44.451 44.451 46.007 -1.556 25969 2632 1 4 . 1 1 114 114 GLY H H 114 8.467 8.467 8.554 -0.087 25969 2633 1 4 . 1 1 115 115 ASN N N 115 119.193 119.193 118.894 0.299 25969 2634 1 4 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.768 -0.034 25969 2635 1 4 . 1 1 115 115 ASN C C 115 173.530 173.530 173.710 -0.180 25969 2636 1 4 . 1 1 115 115 ASN CA C 115 52.733 52.733 53.109 -0.376 25969 2637 1 4 . 1 1 115 115 ASN CB C 115 39.642 39.642 40.468 -0.826 25969 2638 1 4 . 1 1 115 115 ASN H H 115 8.523 8.523 8.442 0.081 25969 2639 1 4 . 1 1 116 116 ASP N N 116 120.602 120.602 118.243 2.359 25969 2640 1 4 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.179 -0.096 25969 2641 1 4 . 1 1 116 116 ASP C C 116 174.030 174.030 175.056 -1.026 25969 2642 1 4 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.055 2.214 25969 2643 1 4 . 1 1 116 116 ASP CB C 116 43.983 43.983 42.038 1.946 25969 2644 1 4 . 1 1 116 116 ASP H H 116 8.098 8.098 7.773 0.325 25969 2645 1 4 . 1 1 117 117 ALA N N 117 123.146 123.146 120.180 2.966 25969 2646 1 4 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.516 0.200 25969 2647 1 4 . 1 1 117 117 ALA C C 117 175.345 175.345 175.880 -0.535 25969 2648 1 4 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.934 -0.471 25969 2649 1 4 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.519 1.626 25969 2650 1 4 . 1 1 117 117 ALA H H 117 8.979 8.979 8.187 0.792 25969 2651 1 4 . 1 1 118 118 GLU N N 118 115.917 115.917 115.873 0.044 25969 2652 1 4 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.998 -0.103 25969 2653 1 4 . 1 1 118 118 GLU C C 118 177.181 177.181 174.761 2.420 25969 2654 1 4 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.369 -1.011 25969 2655 1 4 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.430 -0.678 25969 2656 1 4 . 1 1 118 118 GLU H H 118 8.829 8.829 8.687 0.142 25969 2657 1 4 . 1 1 119 119 CYS N N 119 119.476 119.476 117.070 2.406 25969 2658 1 4 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.376 0.094 25969 2659 1 4 . 1 1 119 119 CYS C C 119 174.738 174.738 174.591 0.147 25969 2660 1 4 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.218 -1.054 25969 2661 1 4 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.430 13.028 25969 2662 1 4 . 1 1 119 119 CYS H H 119 8.671 8.671 8.129 0.542 25969 2663 1 4 . 1 1 120 120 ARG N N 120 123.444 123.444 121.714 1.730 25969 2664 1 4 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.011 -0.086 25969 2665 1 4 . 1 1 120 120 ARG C C 120 172.028 172.028 173.179 -1.151 25969 2666 1 4 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.072 0.596 25969 2667 1 4 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.677 0.884 25969 2668 1 4 . 1 1 120 120 ARG H H 120 9.238 9.238 9.173 0.065 25969 2669 1 4 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.707 -0.161 25969 2670 1 4 . 1 1 121 121 PRO C C 121 176.138 176.138 175.458 0.680 25969 2671 1 4 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.130 0.890 25969 2672 1 4 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.977 0.184 25969 2673 1 4 . 1 1 122 122 PHE N N 122 124.392 124.392 125.647 -1.255 25969 2674 1 4 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.766 -0.060 25969 2675 1 4 . 1 1 122 122 PHE C C 122 175.032 175.032 174.352 0.680 25969 2676 1 4 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.174 1.234 25969 2677 1 4 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.616 -2.239 25969 2678 1 4 . 1 1 122 122 PHE H H 122 8.335 8.335 8.779 -0.444 25969 2679 1 4 . 1 1 123 123 THR N N 123 118.912 118.912 114.177 4.735 25969 2680 1 4 . 1 1 123 123 THR HA H 123 4.140 4.140 4.561 -0.421 25969 2681 1 4 . 1 1 123 123 THR C C 123 173.071 173.071 173.888 -0.817 25969 2682 1 4 . 1 1 123 123 THR CA C 123 60.948 60.948 60.148 0.800 25969 2683 1 4 . 1 1 123 123 THR CB C 123 69.430 69.430 69.645 -0.215 25969 2684 1 4 . 1 1 123 123 THR H H 123 8.146 8.146 7.878 0.268 25969 2685 1 5 . 1 1 7 7 ARG N N 7 122.494 122.494 121.577 0.917 25969 2686 1 5 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.454 -0.104 25969 2687 1 5 . 1 1 7 7 ARG C C 7 177.037 177.037 175.853 1.184 25969 2688 1 5 . 1 1 7 7 ARG CA C 7 56.724 56.724 55.482 1.242 25969 2689 1 5 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.358 -0.477 25969 2690 1 5 . 1 1 7 7 ARG H H 7 8.649 8.649 8.077 0.572 25969 2691 1 5 . 1 1 8 8 SER N N 8 117.535 117.535 116.382 1.153 25969 2692 1 5 . 1 1 8 8 SER HA H 8 4.384 4.384 4.254 0.130 25969 2693 1 5 . 1 1 8 8 SER C C 8 174.613 174.613 174.020 0.593 25969 2694 1 5 . 1 1 8 8 SER CA C 8 59.412 59.412 59.700 -0.288 25969 2695 1 5 . 1 1 8 8 SER CB C 8 63.686 63.686 62.579 1.107 25969 2696 1 5 . 1 1 8 8 SER H H 8 8.522 8.522 7.948 0.574 25969 2697 1 5 . 1 1 9 9 ALA N N 9 126.336 126.336 127.366 -1.030 25969 2698 1 5 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.452 0.013 25969 2699 1 5 . 1 1 9 9 ALA C C 9 178.349 178.349 178.639 -0.290 25969 2700 1 5 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.400 0.667 25969 2701 1 5 . 1 1 9 9 ALA CB C 9 18.914 18.914 20.036 -1.122 25969 2702 1 5 . 1 1 9 9 ALA H H 9 8.415 8.415 7.641 0.774 25969 2703 1 5 . 1 1 10 10 ASN N N 10 121.438 121.438 118.264 3.174 25969 2704 1 5 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.742 -0.056 25969 2705 1 5 . 1 1 10 10 ASN C C 10 175.571 175.571 175.346 0.225 25969 2706 1 5 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.426 -0.179 25969 2707 1 5 . 1 1 10 10 ASN CB C 10 39.125 39.125 36.435 2.690 25969 2708 1 5 . 1 1 10 10 ASN H H 10 9.263 9.263 9.246 0.017 25969 2709 1 5 . 1 1 11 11 LEU N N 11 125.021 125.021 120.264 4.757 25969 2710 1 5 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.864 0.757 25969 2711 1 5 . 1 1 11 11 LEU C C 11 178.567 178.567 177.829 0.738 25969 2712 1 5 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.352 1.534 25969 2713 1 5 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.121 1.139 25969 2714 1 5 . 1 1 11 11 LEU H H 11 8.560 8.560 7.825 0.735 25969 2715 1 5 . 1 1 12 12 ARG N N 12 117.977 117.977 118.604 -0.627 25969 2716 1 5 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.106 0.028 25969 2717 1 5 . 1 1 12 12 ARG C C 12 179.350 179.350 178.463 0.887 25969 2718 1 5 . 1 1 12 12 ARG CA C 12 60.347 60.347 58.158 2.189 25969 2719 1 5 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.503 1.188 25969 2720 1 5 . 1 1 12 12 ARG H H 12 8.114 8.114 8.093 0.021 25969 2721 1 5 . 1 1 13 13 ALA N N 13 123.280 123.280 121.775 1.505 25969 2722 1 5 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.167 0.046 25969 2723 1 5 . 1 1 13 13 ALA C C 13 180.957 180.957 179.585 1.372 25969 2724 1 5 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.602 -0.200 25969 2725 1 5 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.064 -0.195 25969 2726 1 5 . 1 1 13 13 ALA H H 13 7.871 7.871 7.605 0.266 25969 2727 1 5 . 1 1 14 14 ALA N N 14 122.111 122.111 120.633 1.478 25969 2728 1 5 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.901 -0.196 25969 2729 1 5 . 1 1 14 14 ALA C C 14 178.578 178.578 178.857 -0.279 25969 2730 1 5 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.429 0.975 25969 2731 1 5 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.963 -0.703 25969 2732 1 5 . 1 1 14 14 ALA H H 14 7.930 7.930 7.268 0.662 25969 2733 1 5 . 1 1 15 15 HIS N N 15 118.502 118.502 117.699 0.803 25969 2734 1 5 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.214 -0.438 25969 2735 1 5 . 1 1 15 15 HIS C C 15 176.304 176.304 176.991 -0.687 25969 2736 1 5 . 1 1 15 15 HIS CA C 15 60.031 60.031 60.006 0.025 25969 2737 1 5 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.669 1.701 25969 2738 1 5 . 1 1 15 15 HIS H H 15 8.422 8.422 8.686 -0.264 25969 2739 1 5 . 1 1 16 16 ALA N N 16 120.116 120.116 119.967 0.149 25969 2740 1 5 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.326 -0.472 25969 2741 1 5 . 1 1 16 16 ALA C C 16 180.644 180.644 178.800 1.844 25969 2742 1 5 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.951 1.520 25969 2743 1 5 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.715 -0.913 25969 2744 1 5 . 1 1 16 16 ALA H H 16 7.980 7.980 7.577 0.403 25969 2745 1 5 . 1 1 17 17 ALA N N 17 121.281 121.281 122.885 -1.604 25969 2746 1 5 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.094 0.082 25969 2747 1 5 . 1 1 17 17 ALA C C 17 180.122 180.122 179.265 0.857 25969 2748 1 5 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.775 -0.306 25969 2749 1 5 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.462 1.678 25969 2750 1 5 . 1 1 17 17 ALA H H 17 7.465 7.465 7.256 0.209 25969 2751 1 5 . 1 1 18 18 LEU N N 18 120.262 120.262 118.317 1.945 25969 2752 1 5 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.055 -0.248 25969 2753 1 5 . 1 1 18 18 LEU C C 18 178.766 178.766 179.365 -0.599 25969 2754 1 5 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.368 1.376 25969 2755 1 5 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.844 0.866 25969 2756 1 5 . 1 1 18 18 LEU H H 18 8.468 8.468 8.474 -0.006 25969 2757 1 5 . 1 1 19 19 LEU N N 19 119.078 119.078 121.295 -2.217 25969 2758 1 5 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.162 -0.300 25969 2759 1 5 . 1 1 19 19 LEU C C 19 179.517 179.517 178.419 1.098 25969 2760 1 5 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.537 -0.528 25969 2761 1 5 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.062 0.383 25969 2762 1 5 . 1 1 19 19 LEU H H 19 8.029 8.029 7.587 0.442 25969 2763 1 5 . 1 1 20 20 GLU N N 20 121.499 121.499 119.521 1.978 25969 2764 1 5 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.010 0.017 25969 2765 1 5 . 1 1 20 20 GLU C C 20 180.289 180.289 179.250 1.039 25969 2766 1 5 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.532 0.347 25969 2767 1 5 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.438 -0.148 25969 2768 1 5 . 1 1 20 20 GLU H H 20 7.895 7.895 8.574 -0.679 25969 2769 1 5 . 1 1 21 21 ASN N N 21 119.066 119.066 117.692 1.374 25969 2770 1 5 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.727 -0.189 25969 2771 1 5 . 1 1 21 21 ASN C C 21 177.368 177.368 177.383 -0.015 25969 2772 1 5 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.785 0.087 25969 2773 1 5 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.726 1.718 25969 2774 1 5 . 1 1 21 21 ASN H H 21 8.373 8.373 8.377 -0.004 25969 2775 1 5 . 1 1 22 22 ALA N N 22 125.274 125.274 123.940 1.334 25969 2776 1 5 . 1 1 22 22 ALA HA H 22 3.773 3.773 3.995 -0.222 25969 2777 1 5 . 1 1 22 22 ALA C C 22 179.402 179.402 179.880 -0.478 25969 2778 1 5 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.243 0.228 25969 2779 1 5 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.565 -0.345 25969 2780 1 5 . 1 1 22 22 ALA H H 22 8.886 8.886 8.393 0.493 25969 2781 1 5 . 1 1 23 23 ARG N N 23 119.945 119.945 116.699 3.246 25969 2782 1 5 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.198 -0.001 25969 2783 1 5 . 1 1 23 23 ARG C C 23 179.726 179.726 178.478 1.248 25969 2784 1 5 . 1 1 23 23 ARG CA C 23 59.812 59.812 58.857 0.955 25969 2785 1 5 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.744 -0.053 25969 2786 1 5 . 1 1 23 23 ARG H H 23 8.168 8.168 8.236 -0.068 25969 2787 1 5 . 1 1 24 24 PHE N N 24 121.222 121.222 120.568 0.654 25969 2788 1 5 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.398 -0.031 25969 2789 1 5 . 1 1 24 24 PHE C C 24 177.410 177.410 177.890 -0.480 25969 2790 1 5 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.662 -0.314 25969 2791 1 5 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.108 -1.202 25969 2792 1 5 . 1 1 24 24 PHE H H 24 7.658 7.658 7.682 -0.024 25969 2793 1 5 . 1 1 25 25 MET N N 25 120.355 120.355 118.777 1.578 25969 2794 1 5 . 1 1 25 25 MET HA H 25 4.300 4.300 4.608 -0.308 25969 2795 1 5 . 1 1 25 25 MET C C 25 179.371 179.371 178.524 0.847 25969 2796 1 5 . 1 1 25 25 MET CA C 25 55.939 55.939 56.949 -1.010 25969 2797 1 5 . 1 1 25 25 MET CB C 25 29.424 29.424 31.186 -1.762 25969 2798 1 5 . 1 1 25 25 MET H H 25 8.358 8.358 9.048 -0.690 25969 2799 1 5 . 1 1 26 26 GLU N N 26 120.164 120.164 119.846 0.318 25969 2800 1 5 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.309 0.029 25969 2801 1 5 . 1 1 26 26 GLU C C 26 179.934 179.934 179.848 0.086 25969 2802 1 5 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.582 0.471 25969 2803 1 5 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.558 -0.074 25969 2804 1 5 . 1 1 26 26 GLU H H 26 8.441 8.441 8.570 -0.129 25969 2805 1 5 . 1 1 27 27 GLN N N 27 121.309 121.309 118.877 2.432 25969 2806 1 5 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.230 -0.098 25969 2807 1 5 . 1 1 27 27 GLN C C 27 178.307 178.307 178.166 0.141 25969 2808 1 5 . 1 1 27 27 GLN CA C 27 58.610 58.610 58.037 0.573 25969 2809 1 5 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.761 -0.673 25969 2810 1 5 . 1 1 27 27 GLN H H 27 8.001 8.001 8.303 -0.302 25969 2811 1 5 . 1 1 28 28 PHE N N 28 124.569 124.569 121.968 2.601 25969 2812 1 5 . 1 1 28 28 PHE HA H 28 3.814 3.814 3.987 -0.173 25969 2813 1 5 . 1 1 28 28 PHE C C 28 177.717 177.717 177.534 0.183 25969 2814 1 5 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.690 0.502 25969 2815 1 5 . 1 1 28 28 PHE CB C 28 39.343 39.343 38.979 0.364 25969 2816 1 5 . 1 1 28 28 PHE H H 28 8.760 8.760 8.398 0.362 25969 2817 1 5 . 1 1 29 29 TYR N N 29 121.726 121.726 119.662 2.064 25969 2818 1 5 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.150 -0.355 25969 2819 1 5 . 1 1 29 29 TYR C C 29 179.079 179.079 176.885 2.194 25969 2820 1 5 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.089 -0.141 25969 2821 1 5 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.607 0.100 25969 2822 1 5 . 1 1 29 29 TYR H H 29 8.956 8.956 8.245 0.711 25969 2823 1 5 . 1 1 30 30 ALA N N 30 121.142 121.142 119.930 1.212 25969 2824 1 5 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.058 -0.010 25969 2825 1 5 . 1 1 30 30 ALA C C 30 174.781 174.781 178.547 -3.766 25969 2826 1 5 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.160 0.710 25969 2827 1 5 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.271 -0.402 25969 2828 1 5 . 1 1 30 30 ALA H H 30 8.063 8.063 7.687 0.376 25969 2829 1 5 . 1 1 31 31 LYS N N 31 114.745 114.745 115.593 -0.848 25969 2830 1 5 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.202 -0.014 25969 2831 1 5 . 1 1 31 31 LYS C C 31 177.744 177.744 177.214 0.530 25969 2832 1 5 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.461 -0.053 25969 2833 1 5 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.367 -0.192 25969 2834 1 5 . 1 1 31 31 LYS H H 31 7.172 7.172 7.923 -0.751 25969 2835 1 5 . 1 1 32 32 LYS N N 32 117.388 117.388 117.328 0.060 25969 2836 1 5 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.233 -0.120 25969 2837 1 5 . 1 1 32 32 LYS C C 32 177.747 177.747 176.700 1.047 25969 2838 1 5 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.187 -0.382 25969 2839 1 5 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.369 -0.471 25969 2840 1 5 . 1 1 32 32 LYS H H 32 8.154 8.154 7.729 0.425 25969 2841 1 5 . 1 1 33 33 GLY N N 33 109.017 109.017 105.851 3.166 25969 2842 1 5 . 1 1 33 33 GLY C C 33 171.798 171.798 173.109 -1.311 25969 2843 1 5 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.776 -0.125 25969 2844 1 5 . 1 1 33 33 GLY H H 33 8.945 8.945 8.374 0.571 25969 2845 1 5 . 1 1 34 34 SER N N 34 110.165 110.165 113.999 -3.834 25969 2846 1 5 . 1 1 34 34 SER HA H 34 4.136 4.136 5.061 -0.925 25969 2847 1 5 . 1 1 34 34 SER C C 34 172.862 172.862 173.306 -0.444 25969 2848 1 5 . 1 1 34 34 SER CA C 34 56.673 56.673 57.553 -0.880 25969 2849 1 5 . 1 1 34 34 SER CB C 34 64.621 64.621 65.040 -0.419 25969 2850 1 5 . 1 1 34 34 SER H H 34 6.756 6.756 7.513 -0.757 25969 2851 1 5 . 1 1 35 35 PHE N N 35 121.132 121.132 120.673 0.459 25969 2852 1 5 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.858 0.256 25969 2853 1 5 . 1 1 35 35 PHE C C 35 172.888 172.888 176.011 -3.123 25969 2854 1 5 . 1 1 35 35 PHE CA C 35 59.260 59.260 58.829 0.431 25969 2855 1 5 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.369 0.119 25969 2856 1 5 . 1 1 35 35 PHE H H 35 9.403 9.403 8.804 0.599 25969 2857 1 5 . 1 1 36 36 LYS N N 36 114.841 114.841 120.816 -5.975 25969 2858 1 5 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.451 -0.067 25969 2859 1 5 . 1 1 36 36 LYS C C 36 177.118 177.118 176.444 0.674 25969 2860 1 5 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.877 -0.605 25969 2861 1 5 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.644 -0.547 25969 2862 1 5 . 1 1 36 36 LYS H H 36 8.536 8.536 8.161 0.375 25969 2863 1 5 . 1 1 37 37 LEU N N 37 124.789 124.789 118.421 6.368 25969 2864 1 5 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.703 -0.253 25969 2865 1 5 . 1 1 37 37 LEU C C 37 177.535 177.535 176.578 0.957 25969 2866 1 5 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.125 2.617 25969 2867 1 5 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.534 1.717 25969 2868 1 5 . 1 1 37 37 LEU H H 37 8.503 8.503 8.235 0.268 25969 2869 1 5 . 1 1 38 38 THR N N 38 108.556 108.556 112.903 -4.347 25969 2870 1 5 . 1 1 38 38 THR HA H 38 4.619 4.619 4.547 0.072 25969 2871 1 5 . 1 1 38 38 THR C C 38 173.947 173.947 173.472 0.475 25969 2872 1 5 . 1 1 38 38 THR CA C 38 58.944 58.944 60.702 -1.758 25969 2873 1 5 . 1 1 38 38 THR CB C 38 71.818 71.818 70.874 0.944 25969 2874 1 5 . 1 1 38 38 THR H H 38 8.189 8.189 7.547 0.642 25969 2875 1 5 . 1 1 39 39 SER N N 39 110.757 110.757 117.739 -6.982 25969 2876 1 5 . 1 1 39 39 SER HA H 39 4.057 4.057 4.442 -0.385 25969 2877 1 5 . 1 1 39 39 SER C C 39 174.904 174.904 174.777 0.127 25969 2878 1 5 . 1 1 39 39 SER CA C 39 60.938 60.938 59.382 1.556 25969 2879 1 5 . 1 1 39 39 SER CB C 39 63.218 63.218 62.929 0.289 25969 2880 1 5 . 1 1 39 39 SER H H 39 8.590 8.590 8.419 0.171 25969 2881 1 5 . 1 1 40 40 THR N N 40 129.807 129.807 111.384 18.423 25969 2882 1 5 . 1 1 40 40 THR HA H 40 4.453 4.453 3.728 0.725 25969 2883 1 5 . 1 1 40 40 THR C C 40 174.928 174.928 173.298 1.630 25969 2884 1 5 . 1 1 40 40 THR CA C 40 60.351 60.351 62.527 -2.176 25969 2885 1 5 . 1 1 40 40 THR CB C 40 69.910 69.910 68.042 1.868 25969 2886 1 5 . 1 1 40 40 THR H H 40 7.570 7.570 8.296 -0.726 25969 2887 1 5 . 1 1 41 41 LYS N N 41 125.614 125.614 120.271 5.343 25969 2888 1 5 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.633 0.079 25969 2889 1 5 . 1 1 41 41 LYS C C 41 174.907 174.907 174.417 0.490 25969 2890 1 5 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.598 1.140 25969 2891 1 5 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.848 1.194 25969 2892 1 5 . 1 1 41 41 LYS H H 41 7.425 7.425 7.812 -0.387 25969 2893 1 5 . 1 1 42 42 TRP N N 42 124.827 124.827 123.462 1.365 25969 2894 1 5 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.088 0.014 25969 2895 1 5 . 1 1 42 42 TRP C C 42 173.384 173.384 174.682 -1.298 25969 2896 1 5 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.963 1.439 25969 2897 1 5 . 1 1 42 42 TRP CB C 42 29.891 29.891 30.308 -0.417 25969 2898 1 5 . 1 1 42 42 TRP H H 42 8.590 8.590 8.684 -0.094 25969 2899 1 5 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.518 -0.071 25969 2900 1 5 . 1 1 43 43 PRO C C 43 174.990 174.990 176.102 -1.112 25969 2901 1 5 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.682 -0.131 25969 2902 1 5 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.460 -0.365 25969 2903 1 5 . 1 1 44 44 GLU N N 44 120.080 120.080 122.158 -2.078 25969 2904 1 5 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.159 -0.194 25969 2905 1 5 . 1 1 44 44 GLU C C 44 175.699 175.699 176.493 -0.794 25969 2906 1 5 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.364 -0.158 25969 2907 1 5 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.698 -1.117 25969 2908 1 5 . 1 1 44 44 GLU H H 44 8.134 8.134 8.472 -0.338 25969 2909 1 5 . 1 1 45 45 LEU N N 45 125.972 125.972 123.131 2.841 25969 2910 1 5 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.696 -0.733 25969 2911 1 5 . 1 1 45 45 LEU C C 45 176.242 176.242 175.408 0.834 25969 2912 1 5 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.736 -1.005 25969 2913 1 5 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.678 -0.366 25969 2914 1 5 . 1 1 45 45 LEU H H 45 8.363 8.363 8.140 0.223 25969 2915 1 5 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.177 -0.003 25969 2916 1 5 . 1 1 46 46 PRO C C 46 177.702 177.702 176.066 1.636 25969 2917 1 5 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.355 0.465 25969 2918 1 5 . 1 1 46 46 PRO CB C 46 31.561 31.561 32.136 -0.575 25969 2919 1 5 . 1 1 47 47 VAL N N 47 119.474 119.474 118.953 0.521 25969 2920 1 5 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.927 0.308 25969 2921 1 5 . 1 1 47 47 VAL C C 47 175.178 175.178 175.003 0.175 25969 2922 1 5 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.430 -0.414 25969 2923 1 5 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.558 -0.410 25969 2924 1 5 . 1 1 47 47 VAL H H 47 7.836 7.836 8.009 -0.173 25969 2925 1 5 . 1 1 48 48 LYS N N 48 124.385 124.385 123.396 0.989 25969 2926 1 5 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.628 -0.319 25969 2927 1 5 . 1 1 48 48 LYS C C 48 176.534 176.534 175.593 0.941 25969 2928 1 5 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.226 0.915 25969 2929 1 5 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.530 0.302 25969 2930 1 5 . 1 1 48 48 LYS H H 48 8.638 8.638 8.411 0.227 25969 2931 1 5 . 1 1 49 49 GLU N N 49 118.262 118.262 117.604 0.658 25969 2932 1 5 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.594 0.637 25969 2933 1 5 . 1 1 49 49 GLU C C 49 174.552 174.552 174.385 0.167 25969 2934 1 5 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.820 -0.549 25969 2935 1 5 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.631 1.666 25969 2936 1 5 . 1 1 49 49 GLU H H 49 7.473 7.473 7.664 -0.191 25969 2937 1 5 . 1 1 50 50 ALA N N 50 124.186 124.186 128.545 -4.359 25969 2938 1 5 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.549 -0.098 25969 2939 1 5 . 1 1 50 50 ALA C C 50 177.890 177.890 176.596 1.294 25969 2940 1 5 . 1 1 50 50 ALA CA C 50 53.133 53.133 53.232 -0.099 25969 2941 1 5 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.193 3.420 25969 2942 1 5 . 1 1 50 50 ALA H H 50 8.902 8.902 8.916 -0.014 25969 2943 1 5 . 1 1 51 51 GLY N N 51 109.041 109.041 104.991 4.050 25969 2944 1 5 . 1 1 51 51 GLY C C 51 173.759 173.759 174.577 -0.818 25969 2945 1 5 . 1 1 51 51 GLY CA C 51 47.657 47.657 45.838 1.819 25969 2946 1 5 . 1 1 51 51 GLY H H 51 9.113 9.113 8.210 0.903 25969 2947 1 5 . 1 1 52 52 GLY N N 52 104.272 104.272 107.489 -3.217 25969 2948 1 5 . 1 1 52 52 GLY C C 52 174.156 174.156 172.961 1.195 25969 2949 1 5 . 1 1 52 52 GLY CA C 52 45.520 45.520 44.661 0.859 25969 2950 1 5 . 1 1 52 52 GLY H H 52 8.873 8.873 8.585 0.288 25969 2951 1 5 . 1 1 53 53 PHE N N 53 120.324 120.324 119.606 0.718 25969 2952 1 5 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.533 -0.376 25969 2953 1 5 . 1 1 53 53 PHE C C 53 175.574 175.574 174.184 1.390 25969 2954 1 5 . 1 1 53 53 PHE CA C 53 56.940 56.940 54.817 2.123 25969 2955 1 5 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.277 -1.898 25969 2956 1 5 . 1 1 53 53 PHE H H 53 8.278 8.278 7.650 0.628 25969 2957 1 5 . 1 1 54 54 CYS N N 54 116.465 116.465 117.815 -1.350 25969 2958 1 5 . 1 1 54 54 CYS HA H 54 5.660 5.660 5.044 0.616 25969 2959 1 5 . 1 1 54 54 CYS C C 54 173.092 173.092 173.353 -0.261 25969 2960 1 5 . 1 1 54 54 CYS CA C 54 54.997 54.997 56.040 -1.043 25969 2961 1 5 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.126 15.370 25969 2962 1 5 . 1 1 54 54 CYS H H 54 9.911 9.911 9.286 0.625 25969 2963 1 5 . 1 1 55 55 ILE N N 55 119.910 119.910 123.127 -3.217 25969 2964 1 5 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.205 0.106 25969 2965 1 5 . 1 1 55 55 ILE C C 55 175.366 175.366 175.924 -0.558 25969 2966 1 5 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.170 0.309 25969 2967 1 5 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.034 -0.335 25969 2968 1 5 . 1 1 55 55 ILE H H 55 7.971 7.971 8.454 -0.483 25969 2969 1 5 . 1 1 56 56 ARG N N 56 122.445 122.445 121.043 1.402 25969 2970 1 5 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.734 -0.113 25969 2971 1 5 . 1 1 56 56 ARG C C 56 174.948 174.948 174.328 0.620 25969 2972 1 5 . 1 1 56 56 ARG CA C 56 53.467 53.467 53.951 -0.484 25969 2973 1 5 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.129 1.282 25969 2974 1 5 . 1 1 56 56 ARG H H 56 8.927 8.927 8.211 0.716 25969 2975 1 5 . 1 1 57 57 MET N N 57 119.875 119.875 120.240 -0.365 25969 2976 1 5 . 1 1 57 57 MET HA H 57 4.574 4.574 4.397 0.177 25969 2977 1 5 . 1 1 57 57 MET C C 57 175.845 175.845 176.059 -0.214 25969 2978 1 5 . 1 1 57 57 MET CA C 57 55.204 55.204 56.229 -1.025 25969 2979 1 5 . 1 1 57 57 MET CB C 57 32.162 32.162 33.928 -1.766 25969 2980 1 5 . 1 1 57 57 MET H H 57 9.022 9.022 8.725 0.297 25969 2981 1 5 . 1 1 58 58 SER N N 58 114.338 114.338 117.595 -3.257 25969 2982 1 5 . 1 1 58 58 SER HA H 58 5.138 5.138 4.389 0.749 25969 2983 1 5 . 1 1 58 58 SER C C 58 175.866 175.866 175.265 0.601 25969 2984 1 5 . 1 1 58 58 SER CA C 58 56.084 56.084 59.574 -3.490 25969 2985 1 5 . 1 1 58 58 SER CB C 58 63.977 63.977 63.972 0.005 25969 2986 1 5 . 1 1 58 58 SER H H 58 8.559 8.559 8.485 0.074 25969 2987 1 5 . 1 1 59 59 GLY N N 59 116.880 116.880 108.200 8.680 25969 2988 1 5 . 1 1 59 59 GLY C C 59 172.257 172.257 173.807 -1.550 25969 2989 1 5 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.139 -1.437 25969 2990 1 5 . 1 1 59 59 GLY H H 59 8.919 8.919 8.008 0.911 25969 2991 1 5 . 1 1 60 60 GLN N N 60 121.745 121.745 118.754 2.991 25969 2992 1 5 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.529 -0.138 25969 2993 1 5 . 1 1 60 60 GLN C C 60 177.222 177.222 177.227 -0.005 25969 2994 1 5 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.109 -0.104 25969 2995 1 5 . 1 1 60 60 GLN CB C 60 28.842 28.842 28.750 0.092 25969 2996 1 5 . 1 1 60 60 GLN H H 60 8.575 8.575 8.238 0.337 25969 2997 1 5 . 1 1 61 61 ALA N N 61 128.305 128.305 125.848 2.457 25969 2998 1 5 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.881 -0.482 25969 2999 1 5 . 1 1 61 61 ALA C C 61 178.704 178.704 179.065 -0.361 25969 3000 1 5 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.801 0.488 25969 3001 1 5 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.898 -1.966 25969 3002 1 5 . 1 1 61 61 ALA H H 61 8.576 8.576 8.021 0.555 25969 3003 1 5 . 1 1 62 62 LYS N N 62 114.337 114.337 118.233 -3.896 25969 3004 1 5 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.244 -0.068 25969 3005 1 5 . 1 1 62 62 LYS C C 62 177.327 177.327 177.301 0.026 25969 3006 1 5 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.529 0.547 25969 3007 1 5 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.594 -0.299 25969 3008 1 5 . 1 1 62 62 LYS H H 62 8.272 8.272 8.033 0.239 25969 3009 1 5 . 1 1 63 63 GLY N N 63 107.059 107.059 109.486 -2.427 25969 3010 1 5 . 1 1 63 63 GLY C C 63 173.759 173.759 172.850 0.909 25969 3011 1 5 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.397 0.388 25969 3012 1 5 . 1 1 63 63 GLY H H 63 7.813 7.813 8.189 -0.376 25969 3013 1 5 . 1 1 64 64 ILE N N 64 122.496 122.496 121.211 1.285 25969 3014 1 5 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.389 0.067 25969 3015 1 5 . 1 1 64 64 ILE C C 64 176.033 176.033 176.097 -0.064 25969 3016 1 5 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.519 1.024 25969 3017 1 5 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.565 -2.593 25969 3018 1 5 . 1 1 64 64 ILE H H 64 7.256 7.256 7.291 -0.035 25969 3019 1 5 . 1 1 65 65 LEU N N 65 128.858 128.858 123.220 5.638 25969 3020 1 5 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.170 0.083 25969 3021 1 5 . 1 1 65 65 LEU C C 65 178.203 178.203 175.986 2.217 25969 3022 1 5 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.364 -0.826 25969 3023 1 5 . 1 1 65 65 LEU CB C 65 42.536 42.536 41.900 0.636 25969 3024 1 5 . 1 1 65 65 LEU H H 65 8.417 8.417 8.413 0.004 25969 3025 1 5 . 1 1 66 66 GLU N N 66 119.109 119.109 123.467 -4.358 25969 3026 1 5 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.719 -0.478 25969 3027 1 5 . 1 1 66 66 GLU C C 66 177.436 177.436 176.531 0.905 25969 3028 1 5 . 1 1 66 66 GLU CA C 66 57.258 57.258 55.846 1.412 25969 3029 1 5 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.943 -2.844 25969 3030 1 5 . 1 1 66 66 GLU H H 66 8.590 8.590 8.408 0.182 25969 3031 1 5 . 1 1 67 67 GLY N N 67 108.490 108.490 111.771 -3.281 25969 3032 1 5 . 1 1 67 67 GLY C C 67 173.551 173.551 173.369 0.182 25969 3033 1 5 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.587 0.533 25969 3034 1 5 . 1 1 67 67 GLY H H 67 9.498 9.498 8.869 0.629 25969 3035 1 5 . 1 1 68 68 LYS N N 68 117.773 117.773 118.763 -0.990 25969 3036 1 5 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.133 0.663 25969 3037 1 5 . 1 1 68 68 LYS C C 68 175.637 175.637 174.485 1.152 25969 3038 1 5 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.325 -0.056 25969 3039 1 5 . 1 1 68 68 LYS CB C 68 35.702 35.702 34.408 1.294 25969 3040 1 5 . 1 1 68 68 LYS H H 68 7.604 7.604 7.918 -0.314 25969 3041 1 5 . 1 1 69 69 PHE N N 69 114.518 114.518 121.194 -6.676 25969 3042 1 5 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.486 -0.014 25969 3043 1 5 . 1 1 69 69 PHE C C 69 172.591 172.591 174.119 -1.528 25969 3044 1 5 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.692 3.386 25969 3045 1 5 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.838 0.539 25969 3046 1 5 . 1 1 69 69 PHE H H 69 8.439 8.439 8.143 0.296 25969 3047 1 5 . 1 1 70 70 THR N N 70 115.260 115.260 117.564 -2.304 25969 3048 1 5 . 1 1 70 70 THR HA H 70 4.602 4.602 4.780 -0.178 25969 3049 1 5 . 1 1 70 70 THR C C 70 172.508 172.508 172.464 0.044 25969 3050 1 5 . 1 1 70 70 THR CA C 70 62.484 62.484 61.773 0.711 25969 3051 1 5 . 1 1 70 70 THR CB C 70 71.367 71.367 72.117 -0.750 25969 3052 1 5 . 1 1 70 70 THR H H 70 8.474 8.474 8.442 0.032 25969 3053 1 5 . 1 1 71 71 LEU N N 71 128.144 128.144 122.381 5.763 25969 3054 1 5 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.762 -0.254 25969 3055 1 5 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.523 0.412 25969 3056 1 5 . 1 1 71 71 LEU CB C 71 46.855 46.855 46.023 0.832 25969 3057 1 5 . 1 1 71 71 LEU H H 71 9.284 9.284 8.084 1.200 25969 3058 1 5 . 1 1 72 72 LYS N N 72 122.603 122.603 120.921 1.682 25969 3059 1 5 . 1 1 72 72 LYS HA H 72 5.388 5.388 5.093 0.295 25969 3060 1 5 . 1 1 72 72 LYS C C 72 171.972 171.972 174.537 -2.565 25969 3061 1 5 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.165 0.237 25969 3062 1 5 . 1 1 72 72 LYS CB C 72 38.592 38.592 36.057 2.535 25969 3063 1 5 . 1 1 72 72 LYS H H 72 9.123 9.123 7.889 1.234 25969 3064 1 5 . 1 1 73 73 ALA N N 73 128.927 128.927 127.742 1.185 25969 3065 1 5 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.574 0.277 25969 3066 1 5 . 1 1 73 73 ALA C C 73 175.324 175.324 175.558 -0.234 25969 3067 1 5 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.540 -0.414 25969 3068 1 5 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.686 -1.210 25969 3069 1 5 . 1 1 73 73 ALA H H 73 9.178 9.178 8.984 0.194 25969 3070 1 5 . 1 1 74 74 VAL N N 74 123.425 123.425 120.610 2.815 25969 3071 1 5 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.099 0.040 25969 3072 1 5 . 1 1 74 74 VAL C C 74 173.425 173.425 174.514 -1.089 25969 3073 1 5 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.141 0.709 25969 3074 1 5 . 1 1 74 74 VAL CB C 74 35.768 35.768 36.150 -0.382 25969 3075 1 5 . 1 1 74 74 VAL H H 74 8.727 8.727 8.796 -0.069 25969 3076 1 5 . 1 1 75 75 ALA N N 75 130.762 130.762 128.206 2.556 25969 3077 1 5 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.431 0.227 25969 3078 1 5 . 1 1 75 75 ALA C C 75 177.327 177.327 178.809 -1.482 25969 3079 1 5 . 1 1 75 75 ALA CA C 75 53.200 53.200 51.962 1.238 25969 3080 1 5 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.910 0.696 25969 3081 1 5 . 1 1 75 75 ALA H H 75 9.164 9.164 7.355 1.809 25969 3082 1 5 . 1 1 76 76 LEU N N 76 119.175 119.175 123.273 -4.098 25969 3083 1 5 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.070 -0.276 25969 3084 1 5 . 1 1 76 76 LEU C C 76 178.036 178.036 177.972 0.064 25969 3085 1 5 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.234 1.042 25969 3086 1 5 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.204 -0.358 25969 3087 1 5 . 1 1 76 76 LEU H H 76 8.269 8.269 8.822 -0.553 25969 3088 1 5 . 1 1 77 77 ASP N N 77 115.777 115.777 115.311 0.466 25969 3089 1 5 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.792 0.004 25969 3090 1 5 . 1 1 77 77 ASP C C 77 176.012 176.012 176.674 -0.662 25969 3091 1 5 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.974 -2.243 25969 3092 1 5 . 1 1 77 77 ASP CB C 77 40.176 40.176 39.887 0.289 25969 3093 1 5 . 1 1 77 77 ASP H H 77 7.715 7.715 8.237 -0.522 25969 3094 1 5 . 1 1 78 78 ARG N N 78 122.846 122.846 119.618 3.228 25969 3095 1 5 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.078 0.005 25969 3096 1 5 . 1 1 78 78 ARG C C 78 177.869 177.869 176.856 1.013 25969 3097 1 5 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.367 -0.959 25969 3098 1 5 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.261 0.363 25969 3099 1 5 . 1 1 78 78 ARG H H 78 8.408 8.408 7.272 1.136 25969 3100 1 5 . 1 1 79 79 GLU N N 79 118.091 118.091 118.690 -0.599 25969 3101 1 5 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.053 -0.034 25969 3102 1 5 . 1 1 79 79 GLU C C 79 177.930 177.930 177.101 0.829 25969 3103 1 5 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.389 -0.064 25969 3104 1 5 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.272 -0.138 25969 3105 1 5 . 1 1 79 79 GLU H H 79 7.888 7.888 8.295 -0.407 25969 3106 1 5 . 1 1 80 80 ALA N N 80 120.528 120.528 118.774 1.754 25969 3107 1 5 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.444 -0.343 25969 3108 1 5 . 1 1 80 80 ALA C C 80 178.142 178.142 176.565 1.577 25969 3109 1 5 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.839 0.228 25969 3110 1 5 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.686 -1.413 25969 3111 1 5 . 1 1 80 80 ALA H H 80 7.175 7.175 8.108 -0.933 25969 3112 1 5 . 1 1 81 81 GLU N N 81 115.377 115.377 117.487 -2.110 25969 3113 1 5 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.892 -0.130 25969 3114 1 5 . 1 1 81 81 GLU C C 81 171.047 171.047 174.925 -3.878 25969 3115 1 5 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.770 -0.572 25969 3116 1 5 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.067 1.626 25969 3117 1 5 . 1 1 81 81 GLU H H 81 7.457 7.457 7.518 -0.061 25969 3118 1 5 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.188 0.509 25969 3119 1 5 . 1 1 82 82 PRO C C 82 177.636 177.636 177.030 0.606 25969 3120 1 5 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.631 -1.040 25969 3121 1 5 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.931 0.901 25969 3122 1 5 . 1 1 83 83 ARG N N 83 118.488 118.488 117.922 0.566 25969 3123 1 5 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.460 0.114 25969 3124 1 5 . 1 1 83 83 ARG C C 83 176.870 176.870 175.575 1.295 25969 3125 1 5 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.408 -0.365 25969 3126 1 5 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.709 0.468 25969 3127 1 5 . 1 1 83 83 ARG H H 83 8.554 8.554 8.122 0.432 25969 3128 1 5 . 1 1 84 84 VAL N N 84 111.376 111.376 119.145 -7.769 25969 3129 1 5 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.139 -0.112 25969 3130 1 5 . 1 1 84 84 VAL C C 84 174.302 174.302 174.382 -0.080 25969 3131 1 5 . 1 1 84 84 VAL CA C 84 58.543 58.543 60.420 -1.877 25969 3132 1 5 . 1 1 84 84 VAL CB C 84 34.690 34.690 35.051 -0.361 25969 3133 1 5 . 1 1 84 84 VAL H H 84 8.304 8.304 8.383 -0.079 25969 3134 1 5 . 1 1 85 85 LEU N N 85 122.000 122.000 121.973 0.027 25969 3135 1 5 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.209 0.119 25969 3136 1 5 . 1 1 85 85 LEU C C 85 175.491 175.491 174.196 1.295 25969 3137 1 5 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.208 -0.342 25969 3138 1 5 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.987 0.135 25969 3139 1 5 . 1 1 85 85 LEU H H 85 8.095 8.095 8.885 -0.790 25969 3140 1 5 . 1 1 86 86 ARG N N 86 119.409 119.409 121.501 -2.092 25969 3141 1 5 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.319 0.151 25969 3142 1 5 . 1 1 86 86 ARG C C 86 174.928 174.928 173.358 1.570 25969 3143 1 5 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.852 -0.650 25969 3144 1 5 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.304 1.331 25969 3145 1 5 . 1 1 86 86 ARG H H 86 8.851 8.851 8.220 0.631 25969 3146 1 5 . 1 1 87 87 LEU N N 87 122.550 122.550 123.899 -1.349 25969 3147 1 5 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.002 0.072 25969 3148 1 5 . 1 1 87 87 LEU C C 87 174.406 174.406 174.392 0.014 25969 3149 1 5 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.880 1.124 25969 3150 1 5 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.201 1.923 25969 3151 1 5 . 1 1 87 87 LEU H H 87 8.798 8.798 8.128 0.670 25969 3152 1 5 . 1 1 88 88 ASN N N 88 125.347 125.347 123.338 2.009 25969 3153 1 5 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.451 -0.028 25969 3154 1 5 . 1 1 88 88 ASN C C 88 176.576 176.576 176.728 -0.152 25969 3155 1 5 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.737 -0.874 25969 3156 1 5 . 1 1 88 88 ASN CB C 88 40.577 40.577 39.984 0.593 25969 3157 1 5 . 1 1 88 88 ASN H H 88 7.376 7.376 8.164 -0.788 25969 3158 1 5 . 1 1 89 89 GLU N N 89 114.953 114.953 118.629 -3.676 25969 3159 1 5 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.321 -0.925 25969 3160 1 5 . 1 1 89 89 GLU C C 89 176.684 176.684 177.177 -0.493 25969 3161 1 5 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.895 -0.355 25969 3162 1 5 . 1 1 89 89 GLU CB C 89 27.870 27.870 29.118 -1.248 25969 3163 1 5 . 1 1 89 89 GLU H H 89 7.586 7.586 8.350 -0.764 25969 3164 1 5 . 1 1 90 90 SER N N 90 117.110 117.110 113.233 3.877 25969 3165 1 5 . 1 1 90 90 SER HA H 90 4.442 4.442 4.369 0.073 25969 3166 1 5 . 1 1 90 90 SER C C 90 174.051 174.051 174.927 -0.876 25969 3167 1 5 . 1 1 90 90 SER CA C 90 58.895 58.895 57.842 1.053 25969 3168 1 5 . 1 1 90 90 SER CB C 90 63.886 63.886 63.099 0.788 25969 3169 1 5 . 1 1 90 90 SER H H 90 7.385 7.385 7.958 -0.573 25969 3170 1 5 . 1 1 91 91 LEU N N 91 116.559 116.559 119.015 -2.456 25969 3171 1 5 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.031 -0.334 25969 3172 1 5 . 1 1 91 91 LEU C C 91 175.825 175.825 175.157 0.668 25969 3173 1 5 . 1 1 91 91 LEU CA C 91 56.042 56.042 55.734 0.307 25969 3174 1 5 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.371 -1.666 25969 3175 1 5 . 1 1 91 91 LEU H H 91 8.704 8.704 7.590 1.114 25969 3176 1 5 . 1 1 92 92 THR N N 92 115.529 115.529 114.051 1.478 25969 3177 1 5 . 1 1 92 92 THR HA H 92 4.254 4.254 4.403 -0.149 25969 3178 1 5 . 1 1 92 92 THR C C 92 173.425 173.425 173.390 0.035 25969 3179 1 5 . 1 1 92 92 THR CA C 92 62.617 62.617 62.964 -0.347 25969 3180 1 5 . 1 1 92 92 THR CB C 92 69.096 69.096 69.322 -0.226 25969 3181 1 5 . 1 1 92 92 THR H H 92 7.704 7.704 7.590 0.114 25969 3182 1 5 . 1 1 93 93 ALA N N 93 130.459 130.459 130.636 -0.177 25969 3183 1 5 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.436 0.251 25969 3184 1 5 . 1 1 93 93 ALA C C 93 177.201 177.201 175.365 1.836 25969 3185 1 5 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.353 0.909 25969 3186 1 5 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.201 -0.391 25969 3187 1 5 . 1 1 93 93 ALA H H 93 9.002 9.002 8.478 0.524 25969 3188 1 5 . 1 1 94 94 VAL N N 94 117.872 117.872 120.517 -2.645 25969 3189 1 5 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.796 0.108 25969 3190 1 5 . 1 1 94 94 VAL C C 94 173.613 173.613 173.500 0.113 25969 3191 1 5 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.640 -0.961 25969 3192 1 5 . 1 1 94 94 VAL CB C 94 36.036 36.036 35.500 0.536 25969 3193 1 5 . 1 1 94 94 VAL H H 94 8.833 8.833 8.270 0.563 25969 3194 1 5 . 1 1 95 95 VAL N N 95 121.842 121.842 127.633 -5.791 25969 3195 1 5 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.836 0.417 25969 3196 1 5 . 1 1 95 95 VAL C C 95 174.552 174.552 173.589 0.963 25969 3197 1 5 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.690 -0.748 25969 3198 1 5 . 1 1 95 95 VAL CB C 95 34.900 34.900 33.899 1.001 25969 3199 1 5 . 1 1 95 95 VAL H H 95 9.286 9.286 8.607 0.679 25969 3200 1 5 . 1 1 96 96 CYS N N 96 126.839 126.839 124.416 2.423 25969 3201 1 5 . 1 1 96 96 CYS HA H 96 5.423 5.423 5.025 0.398 25969 3202 1 5 . 1 1 96 96 CYS C C 96 174.135 174.135 175.536 -1.401 25969 3203 1 5 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.926 -3.657 25969 3204 1 5 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.900 15.555 25969 3205 1 5 . 1 1 96 96 CYS H H 96 9.452 9.452 8.990 0.462 25969 3206 1 5 . 1 1 97 97 GLY N N 97 109.718 109.718 108.272 1.446 25969 3207 1 5 . 1 1 97 97 GLY C C 97 172.639 172.639 172.859 -0.220 25969 3208 1 5 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.231 1.157 25969 3209 1 5 . 1 1 97 97 GLY H H 97 8.355 8.355 8.719 -0.364 25969 3210 1 5 . 1 1 98 98 LYS N N 98 114.844 114.844 119.017 -4.173 25969 3211 1 5 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.643 0.101 25969 3212 1 5 . 1 1 98 98 LYS C C 98 174.051 174.051 174.404 -0.353 25969 3213 1 5 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.269 -0.933 25969 3214 1 5 . 1 1 98 98 LYS CB C 98 35.528 35.528 36.010 -0.482 25969 3215 1 5 . 1 1 98 98 LYS H H 98 7.632 7.632 7.850 -0.218 25969 3216 1 5 . 1 1 99 99 MET N N 99 124.801 124.801 127.403 -2.602 25969 3217 1 5 . 1 1 99 99 MET HA H 99 5.017 5.017 4.804 0.213 25969 3218 1 5 . 1 1 99 99 MET C C 99 176.337 176.337 174.675 1.662 25969 3219 1 5 . 1 1 99 99 MET CA C 99 54.803 54.803 54.875 -0.072 25969 3220 1 5 . 1 1 99 99 MET CB C 99 34.646 34.646 34.467 0.179 25969 3221 1 5 . 1 1 99 99 MET H H 99 8.759 8.759 8.797 -0.038 25969 3222 1 5 . 1 1 100 100 LYS N N 100 126.252 126.252 125.784 0.468 25969 3223 1 5 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.309 0.067 25969 3224 1 5 . 1 1 100 100 LYS C C 100 177.222 177.222 177.683 -0.461 25969 3225 1 5 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.803 -1.348 25969 3226 1 5 . 1 1 100 100 LYS CB C 100 32.429 32.429 32.867 -0.438 25969 3227 1 5 . 1 1 100 100 LYS H H 100 8.602 8.602 8.230 0.372 25969 3228 1 5 . 1 1 101 101 GLY N N 101 108.944 108.944 106.626 2.318 25969 3229 1 5 . 1 1 101 101 GLY C C 101 173.613 173.613 174.179 -0.566 25969 3230 1 5 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.452 0.133 25969 3231 1 5 . 1 1 101 101 GLY H H 101 8.385 8.385 7.634 0.751 25969 3232 1 5 . 1 1 102 102 LYS N N 102 118.594 118.594 119.860 -1.266 25969 3233 1 5 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.034 0.380 25969 3234 1 5 . 1 1 102 102 LYS C C 102 176.867 176.867 175.622 1.245 25969 3235 1 5 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.809 -1.937 25969 3236 1 5 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.831 1.192 25969 3237 1 5 . 1 1 102 102 LYS H H 102 8.436 8.436 8.404 0.032 25969 3238 1 5 . 1 1 103 103 GLY N N 103 110.581 110.581 108.394 2.187 25969 3239 1 5 . 1 1 103 103 GLY C C 103 171.631 171.631 172.876 -1.245 25969 3240 1 5 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.443 1.478 25969 3241 1 5 . 1 1 103 103 GLY H H 103 8.443 8.443 8.085 0.358 25969 3242 1 5 . 1 1 104 104 SER N N 104 113.710 113.710 116.119 -2.409 25969 3243 1 5 . 1 1 104 104 SER HA H 104 4.697 4.697 4.833 -0.136 25969 3244 1 5 . 1 1 104 104 SER C C 104 174.680 174.680 173.858 0.822 25969 3245 1 5 . 1 1 104 104 SER CA C 104 57.331 57.331 57.216 0.115 25969 3246 1 5 . 1 1 104 104 SER CB C 104 66.178 66.178 66.814 -0.636 25969 3247 1 5 . 1 1 104 104 SER H H 104 8.535 8.535 8.361 0.174 25969 3248 1 5 . 1 1 105 105 CYS N N 105 118.835 118.835 120.581 -1.746 25969 3249 1 5 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.456 0.156 25969 3250 1 5 . 1 1 105 105 CYS C C 105 176.502 176.502 175.208 1.294 25969 3251 1 5 . 1 1 105 105 CYS CA C 105 57.136 57.136 58.866 -1.730 25969 3252 1 5 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.565 12.847 25969 3253 1 5 . 1 1 105 105 CYS H H 105 10.009 10.009 8.988 1.021 25969 3254 1 5 . 1 1 106 106 THR N N 106 107.957 107.957 113.374 -5.417 25969 3255 1 5 . 1 1 106 106 THR HA H 106 4.574 4.574 3.789 0.785 25969 3256 1 5 . 1 1 106 106 THR C C 106 175.178 175.178 174.069 1.109 25969 3257 1 5 . 1 1 106 106 THR CA C 106 61.014 61.014 63.575 -2.561 25969 3258 1 5 . 1 1 106 106 THR CB C 106 68.495 68.495 67.989 0.506 25969 3259 1 5 . 1 1 106 106 THR H H 106 8.030 8.030 8.825 -0.795 25969 3260 1 5 . 1 1 107 107 ASP N N 107 120.763 120.763 119.213 1.550 25969 3261 1 5 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.797 -0.477 25969 3262 1 5 . 1 1 107 107 ASP C C 107 177.264 177.264 175.283 1.981 25969 3263 1 5 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.555 0.449 25969 3264 1 5 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.453 -2.609 25969 3265 1 5 . 1 1 107 107 ASP H H 107 7.531 7.531 7.752 -0.221 25969 3266 1 5 . 1 1 108 108 GLY N N 108 108.602 108.602 109.796 -1.194 25969 3267 1 5 . 1 1 108 108 GLY C C 108 174.698 174.698 173.913 0.785 25969 3268 1 5 . 1 1 108 108 GLY CA C 108 45.653 45.653 45.291 0.362 25969 3269 1 5 . 1 1 108 108 GLY H H 108 8.591 8.591 7.875 0.716 25969 3270 1 5 . 1 1 109 109 GLU N N 109 120.191 120.191 119.735 0.456 25969 3271 1 5 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.284 0.168 25969 3272 1 5 . 1 1 109 109 GLU C C 109 176.472 176.472 176.414 0.058 25969 3273 1 5 . 1 1 109 109 GLU CA C 109 55.678 55.678 56.056 -0.378 25969 3274 1 5 . 1 1 109 109 GLU CB C 109 30.884 30.884 29.965 0.919 25969 3275 1 5 . 1 1 109 109 GLU H H 109 8.292 8.292 7.742 0.550 25969 3276 1 5 . 1 1 110 110 GLU N N 110 116.857 116.857 119.101 -2.244 25969 3277 1 5 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.255 -0.039 25969 3278 1 5 . 1 1 110 110 GLU C C 110 176.381 176.381 174.660 1.721 25969 3279 1 5 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.667 0.469 25969 3280 1 5 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.190 0.083 25969 3281 1 5 . 1 1 110 110 GLU H H 110 9.028 9.028 8.756 0.272 25969 3282 1 5 . 1 1 111 111 ILE N N 111 109.164 109.164 112.356 -3.192 25969 3283 1 5 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.882 -0.047 25969 3284 1 5 . 1 1 111 111 ILE C C 111 176.868 176.868 173.422 3.446 25969 3285 1 5 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.116 0.026 25969 3286 1 5 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.719 1.395 25969 3287 1 5 . 1 1 111 111 ILE H H 111 7.022 7.022 7.226 -0.204 25969 3288 1 5 . 1 1 112 112 PHE N N 112 118.509 118.509 122.736 -4.227 25969 3289 1 5 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.895 0.217 25969 3290 1 5 . 1 1 112 112 PHE C C 112 174.171 174.171 173.300 0.871 25969 3291 1 5 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.849 1.942 25969 3292 1 5 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.516 3.343 25969 3293 1 5 . 1 1 112 112 PHE H H 112 8.605 8.605 8.023 0.582 25969 3294 1 5 . 1 1 113 113 ARG N N 113 119.908 119.908 125.502 -5.594 25969 3295 1 5 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.326 0.446 25969 3296 1 5 . 1 1 113 113 ARG C C 113 176.930 176.930 174.971 1.959 25969 3297 1 5 . 1 1 113 113 ARG CA C 113 55.404 55.404 53.857 1.547 25969 3298 1 5 . 1 1 113 113 ARG CB C 113 33.431 33.431 32.827 0.604 25969 3299 1 5 . 1 1 113 113 ARG H H 113 9.352 9.352 7.611 1.741 25969 3300 1 5 . 1 1 114 114 GLY N N 114 109.477 109.477 110.145 -0.668 25969 3301 1 5 . 1 1 114 114 GLY C C 114 173.738 173.738 173.528 0.210 25969 3302 1 5 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.007 -0.556 25969 3303 1 5 . 1 1 114 114 GLY H H 114 8.467 8.467 8.510 -0.043 25969 3304 1 5 . 1 1 115 115 ASN N N 115 119.193 119.193 122.615 -3.422 25969 3305 1 5 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.962 -0.228 25969 3306 1 5 . 1 1 115 115 ASN C C 115 173.530 173.530 173.119 0.411 25969 3307 1 5 . 1 1 115 115 ASN CA C 115 52.733 52.733 53.122 -0.389 25969 3308 1 5 . 1 1 115 115 ASN CB C 115 39.642 39.642 42.202 -2.560 25969 3309 1 5 . 1 1 115 115 ASN H H 115 8.523 8.523 8.467 0.056 25969 3310 1 5 . 1 1 116 116 ASP N N 116 120.602 120.602 120.107 0.495 25969 3311 1 5 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.021 0.062 25969 3312 1 5 . 1 1 116 116 ASP C C 116 174.030 174.030 174.495 -0.465 25969 3313 1 5 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.524 1.745 25969 3314 1 5 . 1 1 116 116 ASP CB C 116 43.983 43.983 43.875 0.108 25969 3315 1 5 . 1 1 116 116 ASP H H 116 8.098 8.098 8.381 -0.283 25969 3316 1 5 . 1 1 117 117 ALA N N 117 123.146 123.146 121.418 1.728 25969 3317 1 5 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.636 0.080 25969 3318 1 5 . 1 1 117 117 ALA C C 117 175.345 175.345 176.149 -0.804 25969 3319 1 5 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.218 0.245 25969 3320 1 5 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.411 1.734 25969 3321 1 5 . 1 1 117 117 ALA H H 117 8.979 8.979 8.358 0.621 25969 3322 1 5 . 1 1 118 118 GLU N N 118 115.917 115.917 115.989 -0.072 25969 3323 1 5 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.959 -0.064 25969 3324 1 5 . 1 1 118 118 GLU C C 118 177.181 177.181 174.789 2.392 25969 3325 1 5 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.071 -0.713 25969 3326 1 5 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.689 -0.937 25969 3327 1 5 . 1 1 118 118 GLU H H 118 8.829 8.829 8.818 0.011 25969 3328 1 5 . 1 1 119 119 CYS N N 119 119.476 119.476 116.772 2.704 25969 3329 1 5 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.389 0.081 25969 3330 1 5 . 1 1 119 119 CYS C C 119 174.738 174.738 174.593 0.145 25969 3331 1 5 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.016 -0.852 25969 3332 1 5 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.035 13.424 25969 3333 1 5 . 1 1 119 119 CYS H H 119 8.671 8.671 8.182 0.489 25969 3334 1 5 . 1 1 120 120 ARG N N 120 123.444 123.444 121.660 1.784 25969 3335 1 5 . 1 1 120 120 ARG HA H 120 4.925 4.925 4.951 -0.026 25969 3336 1 5 . 1 1 120 120 ARG C C 120 172.028 172.028 172.981 -0.953 25969 3337 1 5 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.023 0.645 25969 3338 1 5 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.796 0.766 25969 3339 1 5 . 1 1 120 120 ARG H H 120 9.238 9.238 9.090 0.148 25969 3340 1 5 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.566 -0.020 25969 3341 1 5 . 1 1 121 121 PRO C C 121 176.138 176.138 175.679 0.459 25969 3342 1 5 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.574 0.446 25969 3343 1 5 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.838 0.324 25969 3344 1 5 . 1 1 122 122 PHE N N 122 124.392 124.392 125.953 -1.561 25969 3345 1 5 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.804 -0.098 25969 3346 1 5 . 1 1 122 122 PHE C C 122 175.032 175.032 174.085 0.947 25969 3347 1 5 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.163 1.245 25969 3348 1 5 . 1 1 122 122 PHE CB C 122 40.377 40.377 43.241 -2.864 25969 3349 1 5 . 1 1 122 122 PHE H H 122 8.335 8.335 8.941 -0.606 25969 3350 1 5 . 1 1 123 123 THR N N 123 118.912 118.912 113.233 5.679 25969 3351 1 5 . 1 1 123 123 THR HA H 123 4.140 4.140 4.605 -0.465 25969 3352 1 5 . 1 1 123 123 THR C C 123 173.071 173.071 174.211 -1.140 25969 3353 1 5 . 1 1 123 123 THR CA C 123 60.948 60.948 59.834 1.114 25969 3354 1 5 . 1 1 123 123 THR CB C 123 69.430 69.430 69.769 -0.339 25969 3355 1 5 . 1 1 123 123 THR H H 123 8.146 8.146 7.944 0.202 25969 3356 1 6 . 1 1 7 7 ARG N N 7 122.494 122.494 124.265 -1.771 25969 3357 1 6 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.674 -0.324 25969 3358 1 6 . 1 1 7 7 ARG C C 7 177.037 177.037 174.631 2.406 25969 3359 1 6 . 1 1 7 7 ARG CA C 7 56.724 56.724 55.474 1.250 25969 3360 1 6 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.628 -0.747 25969 3361 1 6 . 1 1 7 7 ARG H H 7 8.649 8.649 8.404 0.245 25969 3362 1 6 . 1 1 8 8 SER N N 8 117.535 117.535 116.822 0.713 25969 3363 1 6 . 1 1 8 8 SER HA H 8 4.384 4.384 4.739 -0.355 25969 3364 1 6 . 1 1 8 8 SER C C 8 174.613 174.613 174.090 0.523 25969 3365 1 6 . 1 1 8 8 SER CA C 8 59.412 59.412 57.752 1.660 25969 3366 1 6 . 1 1 8 8 SER CB C 8 63.686 63.686 63.775 -0.089 25969 3367 1 6 . 1 1 8 8 SER H H 8 8.522 8.522 8.377 0.145 25969 3368 1 6 . 1 1 9 9 ALA N N 9 126.336 126.336 127.933 -1.597 25969 3369 1 6 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.539 -0.074 25969 3370 1 6 . 1 1 9 9 ALA C C 9 178.349 178.349 178.645 -0.296 25969 3371 1 6 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.313 0.754 25969 3372 1 6 . 1 1 9 9 ALA CB C 9 18.914 18.914 19.993 -1.079 25969 3373 1 6 . 1 1 9 9 ALA H H 9 8.415 8.415 7.947 0.468 25969 3374 1 6 . 1 1 10 10 ASN N N 10 121.438 121.438 118.390 3.048 25969 3375 1 6 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.732 -0.046 25969 3376 1 6 . 1 1 10 10 ASN C C 10 175.571 175.571 175.461 0.110 25969 3377 1 6 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.538 -0.291 25969 3378 1 6 . 1 1 10 10 ASN CB C 10 39.125 39.125 36.563 2.562 25969 3379 1 6 . 1 1 10 10 ASN H H 10 9.263 9.263 9.278 -0.015 25969 3380 1 6 . 1 1 11 11 LEU N N 11 125.021 125.021 119.979 5.042 25969 3381 1 6 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.886 0.735 25969 3382 1 6 . 1 1 11 11 LEU C C 11 178.567 178.567 177.801 0.766 25969 3383 1 6 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.504 1.382 25969 3384 1 6 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.121 1.139 25969 3385 1 6 . 1 1 11 11 LEU H H 11 8.560 8.560 7.985 0.575 25969 3386 1 6 . 1 1 12 12 ARG N N 12 117.977 117.977 118.421 -0.444 25969 3387 1 6 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.113 0.021 25969 3388 1 6 . 1 1 12 12 ARG C C 12 179.350 179.350 178.486 0.864 25969 3389 1 6 . 1 1 12 12 ARG CA C 12 60.347 60.347 58.155 2.192 25969 3390 1 6 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.567 1.124 25969 3391 1 6 . 1 1 12 12 ARG H H 12 8.114 8.114 8.177 -0.063 25969 3392 1 6 . 1 1 13 13 ALA N N 13 123.280 123.280 121.737 1.543 25969 3393 1 6 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.198 0.015 25969 3394 1 6 . 1 1 13 13 ALA C C 13 180.957 180.957 179.530 1.427 25969 3395 1 6 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.551 -0.149 25969 3396 1 6 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.138 -0.269 25969 3397 1 6 . 1 1 13 13 ALA H H 13 7.871 7.871 7.637 0.234 25969 3398 1 6 . 1 1 14 14 ALA N N 14 122.111 122.111 120.822 1.289 25969 3399 1 6 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.905 -0.200 25969 3400 1 6 . 1 1 14 14 ALA C C 14 178.578 178.578 178.856 -0.278 25969 3401 1 6 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.448 0.956 25969 3402 1 6 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.950 -0.689 25969 3403 1 6 . 1 1 14 14 ALA H H 14 7.930 7.930 7.266 0.664 25969 3404 1 6 . 1 1 15 15 HIS N N 15 118.502 118.502 117.462 1.040 25969 3405 1 6 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.229 -0.453 25969 3406 1 6 . 1 1 15 15 HIS C C 15 176.304 176.304 176.862 -0.558 25969 3407 1 6 . 1 1 15 15 HIS CA C 15 60.031 60.031 60.013 0.018 25969 3408 1 6 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.657 1.713 25969 3409 1 6 . 1 1 15 15 HIS H H 15 8.422 8.422 8.718 -0.296 25969 3410 1 6 . 1 1 16 16 ALA N N 16 120.116 120.116 120.052 0.064 25969 3411 1 6 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.332 -0.478 25969 3412 1 6 . 1 1 16 16 ALA C C 16 180.644 180.644 178.799 1.845 25969 3413 1 6 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.962 1.509 25969 3414 1 6 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.825 -1.023 25969 3415 1 6 . 1 1 16 16 ALA H H 16 7.980 7.980 7.578 0.402 25969 3416 1 6 . 1 1 17 17 ALA N N 17 121.281 121.281 122.908 -1.627 25969 3417 1 6 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.109 0.067 25969 3418 1 6 . 1 1 17 17 ALA C C 17 180.122 180.122 179.311 0.811 25969 3419 1 6 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.798 -0.329 25969 3420 1 6 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.472 1.668 25969 3421 1 6 . 1 1 17 17 ALA H H 17 7.465 7.465 7.263 0.202 25969 3422 1 6 . 1 1 18 18 LEU N N 18 120.262 120.262 118.297 1.965 25969 3423 1 6 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.079 -0.272 25969 3424 1 6 . 1 1 18 18 LEU C C 18 178.766 178.766 179.374 -0.608 25969 3425 1 6 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.339 1.405 25969 3426 1 6 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.875 0.836 25969 3427 1 6 . 1 1 18 18 LEU H H 18 8.468 8.468 8.493 -0.025 25969 3428 1 6 . 1 1 19 19 LEU N N 19 119.078 119.078 121.324 -2.246 25969 3429 1 6 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.166 -0.304 25969 3430 1 6 . 1 1 19 19 LEU C C 19 179.517 179.517 178.399 1.118 25969 3431 1 6 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.603 -0.594 25969 3432 1 6 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.055 0.390 25969 3433 1 6 . 1 1 19 19 LEU H H 19 8.029 8.029 7.585 0.444 25969 3434 1 6 . 1 1 20 20 GLU N N 20 121.499 121.499 119.751 1.748 25969 3435 1 6 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.025 0.002 25969 3436 1 6 . 1 1 20 20 GLU C C 20 180.289 180.289 179.002 1.287 25969 3437 1 6 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.617 0.262 25969 3438 1 6 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.493 -0.203 25969 3439 1 6 . 1 1 20 20 GLU H H 20 7.895 7.895 8.698 -0.803 25969 3440 1 6 . 1 1 21 21 ASN N N 21 119.066 119.066 117.940 1.126 25969 3441 1 6 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.716 -0.178 25969 3442 1 6 . 1 1 21 21 ASN C C 21 177.368 177.368 177.084 0.284 25969 3443 1 6 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.996 -0.124 25969 3444 1 6 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.823 1.621 25969 3445 1 6 . 1 1 21 21 ASN H H 21 8.373 8.373 8.390 -0.017 25969 3446 1 6 . 1 1 22 22 ALA N N 22 125.274 125.274 123.801 1.473 25969 3447 1 6 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.044 -0.271 25969 3448 1 6 . 1 1 22 22 ALA C C 22 179.402 179.402 179.955 -0.553 25969 3449 1 6 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.267 0.204 25969 3450 1 6 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.616 -0.397 25969 3451 1 6 . 1 1 22 22 ALA H H 22 8.886 8.886 8.408 0.478 25969 3452 1 6 . 1 1 23 23 ARG N N 23 119.945 119.945 117.025 2.920 25969 3453 1 6 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.152 0.045 25969 3454 1 6 . 1 1 23 23 ARG C C 23 179.726 179.726 178.317 1.409 25969 3455 1 6 . 1 1 23 23 ARG CA C 23 59.812 59.812 59.072 0.740 25969 3456 1 6 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.847 -0.156 25969 3457 1 6 . 1 1 23 23 ARG H H 23 8.168 8.168 8.434 -0.266 25969 3458 1 6 . 1 1 24 24 PHE N N 24 121.222 121.222 120.390 0.832 25969 3459 1 6 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.660 -0.293 25969 3460 1 6 . 1 1 24 24 PHE C C 24 177.410 177.410 177.947 -0.537 25969 3461 1 6 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.328 0.020 25969 3462 1 6 . 1 1 24 24 PHE CB C 24 37.906 37.906 38.979 -1.073 25969 3463 1 6 . 1 1 24 24 PHE H H 24 7.658 7.658 7.680 -0.022 25969 3464 1 6 . 1 1 25 25 MET N N 25 120.355 120.355 118.049 2.306 25969 3465 1 6 . 1 1 25 25 MET HA H 25 4.300 4.300 4.664 -0.364 25969 3466 1 6 . 1 1 25 25 MET C C 25 179.371 179.371 178.385 0.986 25969 3467 1 6 . 1 1 25 25 MET CA C 25 55.939 55.939 55.990 -0.051 25969 3468 1 6 . 1 1 25 25 MET CB C 25 29.424 29.424 31.299 -1.875 25969 3469 1 6 . 1 1 25 25 MET H H 25 8.358 8.358 9.126 -0.768 25969 3470 1 6 . 1 1 26 26 GLU N N 26 120.164 120.164 119.807 0.357 25969 3471 1 6 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.387 -0.049 25969 3472 1 6 . 1 1 26 26 GLU C C 26 179.934 179.934 179.881 0.053 25969 3473 1 6 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.533 0.520 25969 3474 1 6 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.198 0.286 25969 3475 1 6 . 1 1 26 26 GLU H H 26 8.441 8.441 8.451 -0.010 25969 3476 1 6 . 1 1 27 27 GLN N N 27 121.309 121.309 119.461 1.848 25969 3477 1 6 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.244 -0.112 25969 3478 1 6 . 1 1 27 27 GLN C C 27 178.307 178.307 178.215 0.092 25969 3479 1 6 . 1 1 27 27 GLN CA C 27 58.610 58.610 58.374 0.236 25969 3480 1 6 . 1 1 27 27 GLN CB C 27 28.088 28.088 29.089 -1.001 25969 3481 1 6 . 1 1 27 27 GLN H H 27 8.001 8.001 8.215 -0.214 25969 3482 1 6 . 1 1 28 28 PHE N N 28 124.569 124.569 121.687 2.882 25969 3483 1 6 . 1 1 28 28 PHE HA H 28 3.814 3.814 4.019 -0.205 25969 3484 1 6 . 1 1 28 28 PHE C C 28 177.717 177.717 177.412 0.305 25969 3485 1 6 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.578 0.614 25969 3486 1 6 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.124 0.219 25969 3487 1 6 . 1 1 28 28 PHE H H 28 8.760 8.760 8.552 0.208 25969 3488 1 6 . 1 1 29 29 TYR N N 29 121.726 121.726 119.594 2.132 25969 3489 1 6 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.233 -0.438 25969 3490 1 6 . 1 1 29 29 TYR C C 29 179.079 179.079 177.024 2.055 25969 3491 1 6 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.264 -0.316 25969 3492 1 6 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.761 -0.054 25969 3493 1 6 . 1 1 29 29 TYR H H 29 8.956 8.956 8.420 0.536 25969 3494 1 6 . 1 1 30 30 ALA N N 30 121.142 121.142 120.040 1.102 25969 3495 1 6 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.154 -0.106 25969 3496 1 6 . 1 1 30 30 ALA C C 30 174.781 174.781 178.539 -3.758 25969 3497 1 6 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.267 0.603 25969 3498 1 6 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.318 -0.449 25969 3499 1 6 . 1 1 30 30 ALA H H 30 8.063 8.063 7.768 0.295 25969 3500 1 6 . 1 1 31 31 LYS N N 31 114.745 114.745 115.482 -0.737 25969 3501 1 6 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.236 -0.048 25969 3502 1 6 . 1 1 31 31 LYS C C 31 177.744 177.744 177.165 0.579 25969 3503 1 6 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.484 -0.076 25969 3504 1 6 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.394 -0.219 25969 3505 1 6 . 1 1 31 31 LYS H H 31 7.172 7.172 7.997 -0.825 25969 3506 1 6 . 1 1 32 32 LYS N N 32 117.388 117.388 117.321 0.067 25969 3507 1 6 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.266 -0.153 25969 3508 1 6 . 1 1 32 32 LYS C C 32 177.747 177.747 176.626 1.121 25969 3509 1 6 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.214 -0.409 25969 3510 1 6 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.541 -0.643 25969 3511 1 6 . 1 1 32 32 LYS H H 32 8.154 8.154 7.779 0.375 25969 3512 1 6 . 1 1 33 33 GLY N N 33 109.017 109.017 105.702 3.315 25969 3513 1 6 . 1 1 33 33 GLY C C 33 171.798 171.798 173.496 -1.698 25969 3514 1 6 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.690 -0.039 25969 3515 1 6 . 1 1 33 33 GLY H H 33 8.945 8.945 8.306 0.639 25969 3516 1 6 . 1 1 34 34 SER N N 34 110.165 110.165 114.237 -4.072 25969 3517 1 6 . 1 1 34 34 SER HA H 34 4.136 4.136 5.231 -1.095 25969 3518 1 6 . 1 1 34 34 SER C C 34 172.862 172.862 173.537 -0.675 25969 3519 1 6 . 1 1 34 34 SER CA C 34 56.673 56.673 58.202 -1.529 25969 3520 1 6 . 1 1 34 34 SER CB C 34 64.621 64.621 66.025 -1.404 25969 3521 1 6 . 1 1 34 34 SER H H 34 6.756 6.756 7.845 -1.089 25969 3522 1 6 . 1 1 35 35 PHE N N 35 121.132 121.132 121.741 -0.609 25969 3523 1 6 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.806 0.308 25969 3524 1 6 . 1 1 35 35 PHE C C 35 172.888 172.888 175.997 -3.109 25969 3525 1 6 . 1 1 35 35 PHE CA C 35 59.260 59.260 58.313 0.946 25969 3526 1 6 . 1 1 35 35 PHE CB C 35 40.488 40.488 39.962 0.526 25969 3527 1 6 . 1 1 35 35 PHE H H 35 9.403 9.403 8.884 0.519 25969 3528 1 6 . 1 1 36 36 LYS N N 36 114.841 114.841 120.225 -5.384 25969 3529 1 6 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.400 -0.016 25969 3530 1 6 . 1 1 36 36 LYS C C 36 177.118 177.118 176.808 0.310 25969 3531 1 6 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.773 -0.501 25969 3532 1 6 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.631 -0.534 25969 3533 1 6 . 1 1 36 36 LYS H H 36 8.536 8.536 8.271 0.265 25969 3534 1 6 . 1 1 37 37 LEU N N 37 124.789 124.789 118.937 5.852 25969 3535 1 6 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.716 -0.266 25969 3536 1 6 . 1 1 37 37 LEU C C 37 177.535 177.535 176.463 1.072 25969 3537 1 6 . 1 1 37 37 LEU CA C 37 57.742 57.742 54.935 2.807 25969 3538 1 6 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.922 1.329 25969 3539 1 6 . 1 1 37 37 LEU H H 37 8.503 8.503 8.414 0.089 25969 3540 1 6 . 1 1 38 38 THR N N 38 108.556 108.556 112.625 -4.069 25969 3541 1 6 . 1 1 38 38 THR HA H 38 4.619 4.619 4.541 0.078 25969 3542 1 6 . 1 1 38 38 THR C C 38 173.947 173.947 173.016 0.931 25969 3543 1 6 . 1 1 38 38 THR CA C 38 58.944 58.944 60.754 -1.810 25969 3544 1 6 . 1 1 38 38 THR CB C 38 71.818 71.818 70.966 0.852 25969 3545 1 6 . 1 1 38 38 THR H H 38 8.189 8.189 7.609 0.580 25969 3546 1 6 . 1 1 39 39 SER N N 39 110.757 110.757 122.139 -11.382 25969 3547 1 6 . 1 1 39 39 SER HA H 39 4.057 4.057 4.436 -0.379 25969 3548 1 6 . 1 1 39 39 SER C C 39 174.904 174.904 174.611 0.293 25969 3549 1 6 . 1 1 39 39 SER CA C 39 60.938 60.938 60.057 0.881 25969 3550 1 6 . 1 1 39 39 SER CB C 39 63.218 63.218 63.231 -0.013 25969 3551 1 6 . 1 1 39 39 SER H H 39 8.590 8.590 8.749 -0.159 25969 3552 1 6 . 1 1 40 40 THR N N 40 129.807 129.807 112.561 17.246 25969 3553 1 6 . 1 1 40 40 THR HA H 40 4.453 4.453 3.717 0.736 25969 3554 1 6 . 1 1 40 40 THR C C 40 174.928 174.928 173.162 1.766 25969 3555 1 6 . 1 1 40 40 THR CA C 40 60.351 60.351 62.468 -2.117 25969 3556 1 6 . 1 1 40 40 THR CB C 40 69.910 69.910 68.030 1.880 25969 3557 1 6 . 1 1 40 40 THR H H 40 7.570 7.570 8.386 -0.816 25969 3558 1 6 . 1 1 41 41 LYS N N 41 125.614 125.614 120.061 5.553 25969 3559 1 6 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.592 0.120 25969 3560 1 6 . 1 1 41 41 LYS C C 41 174.907 174.907 174.209 0.698 25969 3561 1 6 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.612 1.126 25969 3562 1 6 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.960 1.082 25969 3563 1 6 . 1 1 41 41 LYS H H 41 7.425 7.425 7.737 -0.312 25969 3564 1 6 . 1 1 42 42 TRP N N 42 124.827 124.827 122.895 1.932 25969 3565 1 6 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.088 0.014 25969 3566 1 6 . 1 1 42 42 TRP C C 42 173.384 173.384 174.676 -1.292 25969 3567 1 6 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.967 1.435 25969 3568 1 6 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.796 0.095 25969 3569 1 6 . 1 1 42 42 TRP H H 42 8.590 8.590 8.631 -0.041 25969 3570 1 6 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.435 0.012 25969 3571 1 6 . 1 1 43 43 PRO C C 43 174.990 174.990 176.110 -1.120 25969 3572 1 6 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.707 -0.156 25969 3573 1 6 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.206 -0.111 25969 3574 1 6 . 1 1 44 44 GLU N N 44 120.080 120.080 122.134 -2.054 25969 3575 1 6 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.136 -0.171 25969 3576 1 6 . 1 1 44 44 GLU C C 44 175.699 175.699 176.423 -0.724 25969 3577 1 6 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.326 -0.120 25969 3578 1 6 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.673 -1.091 25969 3579 1 6 . 1 1 44 44 GLU H H 44 8.134 8.134 8.406 -0.272 25969 3580 1 6 . 1 1 45 45 LEU N N 45 125.972 125.972 123.557 2.415 25969 3581 1 6 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.697 -0.734 25969 3582 1 6 . 1 1 45 45 LEU C C 45 176.242 176.242 175.555 0.687 25969 3583 1 6 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.747 -1.016 25969 3584 1 6 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.575 -0.263 25969 3585 1 6 . 1 1 45 45 LEU H H 45 8.363 8.363 8.131 0.232 25969 3586 1 6 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.239 -0.065 25969 3587 1 6 . 1 1 46 46 PRO C C 46 177.702 177.702 176.114 1.588 25969 3588 1 6 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.481 0.339 25969 3589 1 6 . 1 1 46 46 PRO CB C 46 31.561 31.561 32.231 -0.670 25969 3590 1 6 . 1 1 47 47 VAL N N 47 119.474 119.474 118.712 0.762 25969 3591 1 6 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.973 0.262 25969 3592 1 6 . 1 1 47 47 VAL C C 47 175.178 175.178 175.063 0.115 25969 3593 1 6 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.289 -0.273 25969 3594 1 6 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.578 -0.430 25969 3595 1 6 . 1 1 47 47 VAL H H 47 7.836 7.836 8.103 -0.267 25969 3596 1 6 . 1 1 48 48 LYS N N 48 124.385 124.385 123.352 1.033 25969 3597 1 6 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.663 -0.354 25969 3598 1 6 . 1 1 48 48 LYS C C 48 176.534 176.534 175.623 0.911 25969 3599 1 6 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.199 0.942 25969 3600 1 6 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.654 0.178 25969 3601 1 6 . 1 1 48 48 LYS H H 48 8.638 8.638 8.344 0.294 25969 3602 1 6 . 1 1 49 49 GLU N N 49 118.262 118.262 117.940 0.322 25969 3603 1 6 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.648 0.583 25969 3604 1 6 . 1 1 49 49 GLU C C 49 174.552 174.552 174.313 0.239 25969 3605 1 6 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.801 -0.530 25969 3606 1 6 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.606 1.691 25969 3607 1 6 . 1 1 49 49 GLU H H 49 7.473 7.473 7.672 -0.199 25969 3608 1 6 . 1 1 50 50 ALA N N 50 124.186 124.186 128.261 -4.075 25969 3609 1 6 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.559 -0.108 25969 3610 1 6 . 1 1 50 50 ALA C C 50 177.890 177.890 176.656 1.234 25969 3611 1 6 . 1 1 50 50 ALA CA C 50 53.133 53.133 53.133 0.000 25969 3612 1 6 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.575 3.038 25969 3613 1 6 . 1 1 50 50 ALA H H 50 8.902 8.902 8.940 -0.038 25969 3614 1 6 . 1 1 51 51 GLY N N 51 109.041 109.041 104.738 4.303 25969 3615 1 6 . 1 1 51 51 GLY C C 51 173.759 173.759 174.573 -0.814 25969 3616 1 6 . 1 1 51 51 GLY CA C 51 47.657 47.657 45.896 1.761 25969 3617 1 6 . 1 1 51 51 GLY H H 51 9.113 9.113 8.033 1.080 25969 3618 1 6 . 1 1 52 52 GLY N N 52 104.272 104.272 107.225 -2.953 25969 3619 1 6 . 1 1 52 52 GLY C C 52 174.156 174.156 172.939 1.217 25969 3620 1 6 . 1 1 52 52 GLY CA C 52 45.520 45.520 44.733 0.787 25969 3621 1 6 . 1 1 52 52 GLY H H 52 8.873 8.873 8.551 0.322 25969 3622 1 6 . 1 1 53 53 PHE N N 53 120.324 120.324 119.610 0.714 25969 3623 1 6 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.565 -0.408 25969 3624 1 6 . 1 1 53 53 PHE C C 53 175.574 175.574 174.151 1.423 25969 3625 1 6 . 1 1 53 53 PHE CA C 53 56.940 56.940 54.798 2.142 25969 3626 1 6 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.264 -1.885 25969 3627 1 6 . 1 1 53 53 PHE H H 53 8.278 8.278 7.640 0.638 25969 3628 1 6 . 1 1 54 54 CYS N N 54 116.465 116.465 117.750 -1.285 25969 3629 1 6 . 1 1 54 54 CYS HA H 54 5.660 5.660 5.077 0.583 25969 3630 1 6 . 1 1 54 54 CYS C C 54 173.092 173.092 173.351 -0.259 25969 3631 1 6 . 1 1 54 54 CYS CA C 54 54.997 54.997 55.993 -0.996 25969 3632 1 6 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.097 15.399 25969 3633 1 6 . 1 1 54 54 CYS H H 54 9.911 9.911 9.295 0.616 25969 3634 1 6 . 1 1 55 55 ILE N N 55 119.910 119.910 123.297 -3.387 25969 3635 1 6 . 1 1 55 55 ILE HA H 55 5.311 5.311 4.852 0.459 25969 3636 1 6 . 1 1 55 55 ILE C C 55 175.366 175.366 175.826 -0.460 25969 3637 1 6 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.304 0.176 25969 3638 1 6 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.036 -0.337 25969 3639 1 6 . 1 1 55 55 ILE H H 55 7.971 7.971 8.361 -0.390 25969 3640 1 6 . 1 1 56 56 ARG N N 56 122.445 122.445 121.680 0.765 25969 3641 1 6 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.700 -0.079 25969 3642 1 6 . 1 1 56 56 ARG C C 56 174.948 174.948 174.249 0.699 25969 3643 1 6 . 1 1 56 56 ARG CA C 56 53.467 53.467 54.289 -0.822 25969 3644 1 6 . 1 1 56 56 ARG CB C 56 36.410 36.410 34.949 1.461 25969 3645 1 6 . 1 1 56 56 ARG H H 56 8.927 8.927 8.047 0.880 25969 3646 1 6 . 1 1 57 57 MET N N 57 119.875 119.875 120.481 -0.606 25969 3647 1 6 . 1 1 57 57 MET HA H 57 4.574 4.574 4.387 0.187 25969 3648 1 6 . 1 1 57 57 MET C C 57 175.845 175.845 176.101 -0.256 25969 3649 1 6 . 1 1 57 57 MET CA C 57 55.204 55.204 56.345 -1.141 25969 3650 1 6 . 1 1 57 57 MET CB C 57 32.162 32.162 33.917 -1.755 25969 3651 1 6 . 1 1 57 57 MET H H 57 9.022 9.022 8.724 0.298 25969 3652 1 6 . 1 1 58 58 SER N N 58 114.338 114.338 117.489 -3.151 25969 3653 1 6 . 1 1 58 58 SER HA H 58 5.138 5.138 4.354 0.784 25969 3654 1 6 . 1 1 58 58 SER C C 58 175.866 175.866 174.987 0.879 25969 3655 1 6 . 1 1 58 58 SER CA C 58 56.084 56.084 60.013 -3.929 25969 3656 1 6 . 1 1 58 58 SER CB C 58 63.977 63.977 64.055 -0.078 25969 3657 1 6 . 1 1 58 58 SER H H 58 8.559 8.559 8.519 0.040 25969 3658 1 6 . 1 1 59 59 GLY N N 59 116.880 116.880 108.311 8.569 25969 3659 1 6 . 1 1 59 59 GLY C C 59 172.257 172.257 173.858 -1.601 25969 3660 1 6 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.122 -1.420 25969 3661 1 6 . 1 1 59 59 GLY H H 59 8.919 8.919 8.171 0.748 25969 3662 1 6 . 1 1 60 60 GLN N N 60 121.745 121.745 119.126 2.619 25969 3663 1 6 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.481 -0.090 25969 3664 1 6 . 1 1 60 60 GLN C C 60 177.222 177.222 176.938 0.284 25969 3665 1 6 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.239 -0.234 25969 3666 1 6 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.323 -0.482 25969 3667 1 6 . 1 1 60 60 GLN H H 60 8.575 8.575 8.332 0.243 25969 3668 1 6 . 1 1 61 61 ALA N N 61 128.305 128.305 125.400 2.905 25969 3669 1 6 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.925 -0.526 25969 3670 1 6 . 1 1 61 61 ALA C C 61 178.704 178.704 179.480 -0.776 25969 3671 1 6 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.785 0.504 25969 3672 1 6 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.712 -1.780 25969 3673 1 6 . 1 1 61 61 ALA H H 61 8.576 8.576 8.302 0.274 25969 3674 1 6 . 1 1 62 62 LYS N N 62 114.337 114.337 118.438 -4.101 25969 3675 1 6 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.228 -0.052 25969 3676 1 6 . 1 1 62 62 LYS C C 62 177.327 177.327 177.145 0.182 25969 3677 1 6 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.443 0.633 25969 3678 1 6 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.543 -0.248 25969 3679 1 6 . 1 1 62 62 LYS H H 62 8.272 8.272 8.050 0.222 25969 3680 1 6 . 1 1 63 63 GLY N N 63 107.059 107.059 109.083 -2.024 25969 3681 1 6 . 1 1 63 63 GLY C C 63 173.759 173.759 172.708 1.051 25969 3682 1 6 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.411 0.374 25969 3683 1 6 . 1 1 63 63 GLY H H 63 7.813 7.813 8.200 -0.387 25969 3684 1 6 . 1 1 64 64 ILE N N 64 122.496 122.496 122.734 -0.238 25969 3685 1 6 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.478 -0.022 25969 3686 1 6 . 1 1 64 64 ILE C C 64 176.033 176.033 176.462 -0.429 25969 3687 1 6 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.754 0.789 25969 3688 1 6 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.205 -2.233 25969 3689 1 6 . 1 1 64 64 ILE H H 64 7.256 7.256 7.557 -0.301 25969 3690 1 6 . 1 1 65 65 LEU N N 65 128.858 128.858 125.143 3.715 25969 3691 1 6 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.189 0.064 25969 3692 1 6 . 1 1 65 65 LEU C C 65 178.203 178.203 175.886 2.317 25969 3693 1 6 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.541 -1.003 25969 3694 1 6 . 1 1 65 65 LEU CB C 65 42.536 42.536 41.740 0.796 25969 3695 1 6 . 1 1 65 65 LEU H H 65 8.417 8.417 8.713 -0.296 25969 3696 1 6 . 1 1 66 66 GLU N N 66 119.109 119.109 122.867 -3.758 25969 3697 1 6 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.699 -0.458 25969 3698 1 6 . 1 1 66 66 GLU C C 66 177.436 177.436 176.581 0.855 25969 3699 1 6 . 1 1 66 66 GLU CA C 66 57.258 57.258 55.914 1.344 25969 3700 1 6 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.909 -2.810 25969 3701 1 6 . 1 1 66 66 GLU H H 66 8.590 8.590 8.437 0.153 25969 3702 1 6 . 1 1 67 67 GLY N N 67 108.490 108.490 111.754 -3.264 25969 3703 1 6 . 1 1 67 67 GLY C C 67 173.551 173.551 173.373 0.178 25969 3704 1 6 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.619 0.502 25969 3705 1 6 . 1 1 67 67 GLY H H 67 9.498 9.498 8.863 0.635 25969 3706 1 6 . 1 1 68 68 LYS N N 68 117.773 117.773 119.617 -1.844 25969 3707 1 6 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.516 0.280 25969 3708 1 6 . 1 1 68 68 LYS C C 68 175.637 175.637 174.481 1.156 25969 3709 1 6 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.630 -0.361 25969 3710 1 6 . 1 1 68 68 LYS CB C 68 35.702 35.702 35.146 0.556 25969 3711 1 6 . 1 1 68 68 LYS H H 68 7.604 7.604 7.550 0.054 25969 3712 1 6 . 1 1 69 69 PHE N N 69 114.518 114.518 123.157 -8.639 25969 3713 1 6 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.522 -0.050 25969 3714 1 6 . 1 1 69 69 PHE C C 69 172.591 172.591 174.286 -1.695 25969 3715 1 6 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.220 3.858 25969 3716 1 6 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.351 1.026 25969 3717 1 6 . 1 1 69 69 PHE H H 69 8.439 8.439 8.641 -0.202 25969 3718 1 6 . 1 1 70 70 THR N N 70 115.260 115.260 117.739 -2.479 25969 3719 1 6 . 1 1 70 70 THR HA H 70 4.602 4.602 4.767 -0.165 25969 3720 1 6 . 1 1 70 70 THR C C 70 172.508 172.508 172.652 -0.144 25969 3721 1 6 . 1 1 70 70 THR CA C 70 62.484 62.484 61.772 0.712 25969 3722 1 6 . 1 1 70 70 THR CB C 70 71.367 71.367 71.970 -0.603 25969 3723 1 6 . 1 1 70 70 THR H H 70 8.474 8.474 8.569 -0.095 25969 3724 1 6 . 1 1 71 71 LEU N N 71 128.144 128.144 123.173 4.971 25969 3725 1 6 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.745 -0.237 25969 3726 1 6 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.676 0.259 25969 3727 1 6 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.824 1.031 25969 3728 1 6 . 1 1 71 71 LEU H H 71 9.284 9.284 8.077 1.207 25969 3729 1 6 . 1 1 72 72 LYS N N 72 122.603 122.603 122.057 0.546 25969 3730 1 6 . 1 1 72 72 LYS HA H 72 5.388 5.388 4.991 0.397 25969 3731 1 6 . 1 1 72 72 LYS C C 72 171.972 171.972 174.999 -3.027 25969 3732 1 6 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.438 -0.036 25969 3733 1 6 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.092 3.501 25969 3734 1 6 . 1 1 72 72 LYS H H 72 9.123 9.123 7.946 1.177 25969 3735 1 6 . 1 1 73 73 ALA N N 73 128.927 128.927 129.392 -0.465 25969 3736 1 6 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.416 0.435 25969 3737 1 6 . 1 1 73 73 ALA C C 73 175.324 175.324 175.935 -0.611 25969 3738 1 6 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.840 -0.714 25969 3739 1 6 . 1 1 73 73 ALA CB C 73 21.476 21.476 21.797 -0.322 25969 3740 1 6 . 1 1 73 73 ALA H H 73 9.178 9.178 8.857 0.321 25969 3741 1 6 . 1 1 74 74 VAL N N 74 123.425 123.425 120.633 2.792 25969 3742 1 6 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.074 0.065 25969 3743 1 6 . 1 1 74 74 VAL C C 74 173.425 173.425 174.180 -0.755 25969 3744 1 6 . 1 1 74 74 VAL CA C 74 60.850 60.850 59.986 0.864 25969 3745 1 6 . 1 1 74 74 VAL CB C 74 35.768 35.768 36.370 -0.602 25969 3746 1 6 . 1 1 74 74 VAL H H 74 8.727 8.727 8.709 0.018 25969 3747 1 6 . 1 1 75 75 ALA N N 75 130.762 130.762 127.054 3.708 25969 3748 1 6 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.424 0.234 25969 3749 1 6 . 1 1 75 75 ALA C C 75 177.327 177.327 178.597 -1.270 25969 3750 1 6 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.026 1.175 25969 3751 1 6 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.985 0.622 25969 3752 1 6 . 1 1 75 75 ALA H H 75 9.164 9.164 7.473 1.691 25969 3753 1 6 . 1 1 76 76 LEU N N 76 119.175 119.175 123.141 -3.966 25969 3754 1 6 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.073 -0.279 25969 3755 1 6 . 1 1 76 76 LEU C C 76 178.036 178.036 177.834 0.202 25969 3756 1 6 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.239 1.037 25969 3757 1 6 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.094 -0.248 25969 3758 1 6 . 1 1 76 76 LEU H H 76 8.269 8.269 8.867 -0.598 25969 3759 1 6 . 1 1 77 77 ASP N N 77 115.777 115.777 115.661 0.116 25969 3760 1 6 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.770 0.026 25969 3761 1 6 . 1 1 77 77 ASP C C 77 176.012 176.012 176.765 -0.753 25969 3762 1 6 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.958 -2.227 25969 3763 1 6 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.283 -0.107 25969 3764 1 6 . 1 1 77 77 ASP H H 77 7.715 7.715 8.191 -0.476 25969 3765 1 6 . 1 1 78 78 ARG N N 78 122.846 122.846 119.859 2.987 25969 3766 1 6 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.092 -0.009 25969 3767 1 6 . 1 1 78 78 ARG C C 78 177.869 177.869 176.939 0.930 25969 3768 1 6 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.424 -1.016 25969 3769 1 6 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.205 0.419 25969 3770 1 6 . 1 1 78 78 ARG H H 78 8.408 8.408 7.200 1.208 25969 3771 1 6 . 1 1 79 79 GLU N N 79 118.091 118.091 118.745 -0.654 25969 3772 1 6 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.043 -0.024 25969 3773 1 6 . 1 1 79 79 GLU C C 79 177.930 177.930 177.169 0.761 25969 3774 1 6 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.421 -0.097 25969 3775 1 6 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.253 -0.119 25969 3776 1 6 . 1 1 79 79 GLU H H 79 7.888 7.888 8.311 -0.423 25969 3777 1 6 . 1 1 80 80 ALA N N 80 120.528 120.528 118.946 1.582 25969 3778 1 6 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.440 -0.338 25969 3779 1 6 . 1 1 80 80 ALA C C 80 178.142 178.142 176.799 1.343 25969 3780 1 6 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.859 0.208 25969 3781 1 6 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.656 -1.384 25969 3782 1 6 . 1 1 80 80 ALA H H 80 7.175 7.175 8.063 -0.888 25969 3783 1 6 . 1 1 81 81 GLU N N 81 115.377 115.377 117.852 -2.475 25969 3784 1 6 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.844 -0.082 25969 3785 1 6 . 1 1 81 81 GLU C C 81 171.047 171.047 174.861 -3.814 25969 3786 1 6 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.848 -0.650 25969 3787 1 6 . 1 1 81 81 GLU CB C 81 30.693 30.693 28.949 1.744 25969 3788 1 6 . 1 1 81 81 GLU H H 81 7.457 7.457 7.597 -0.140 25969 3789 1 6 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.175 0.522 25969 3790 1 6 . 1 1 82 82 PRO C C 82 177.636 177.636 176.713 0.923 25969 3791 1 6 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.969 -1.379 25969 3792 1 6 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.866 0.966 25969 3793 1 6 . 1 1 83 83 ARG N N 83 118.488 118.488 118.124 0.364 25969 3794 1 6 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.488 0.086 25969 3795 1 6 . 1 1 83 83 ARG C C 83 176.870 176.870 175.834 1.036 25969 3796 1 6 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.161 -0.117 25969 3797 1 6 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.699 0.477 25969 3798 1 6 . 1 1 83 83 ARG H H 83 8.554 8.554 7.729 0.825 25969 3799 1 6 . 1 1 84 84 VAL N N 84 111.376 111.376 118.583 -7.207 25969 3800 1 6 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.060 -0.033 25969 3801 1 6 . 1 1 84 84 VAL C C 84 174.302 174.302 174.160 0.142 25969 3802 1 6 . 1 1 84 84 VAL CA C 84 58.543 58.543 60.031 -1.488 25969 3803 1 6 . 1 1 84 84 VAL CB C 84 34.690 34.690 35.116 -0.426 25969 3804 1 6 . 1 1 84 84 VAL H H 84 8.304 8.304 8.419 -0.115 25969 3805 1 6 . 1 1 85 85 LEU N N 85 122.000 122.000 122.469 -0.469 25969 3806 1 6 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.172 0.156 25969 3807 1 6 . 1 1 85 85 LEU C C 85 175.491 175.491 174.147 1.344 25969 3808 1 6 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.109 -0.243 25969 3809 1 6 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.777 0.345 25969 3810 1 6 . 1 1 85 85 LEU H H 85 8.095 8.095 8.917 -0.822 25969 3811 1 6 . 1 1 86 86 ARG N N 86 119.409 119.409 121.438 -2.029 25969 3812 1 6 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.327 0.143 25969 3813 1 6 . 1 1 86 86 ARG C C 86 174.928 174.928 173.412 1.516 25969 3814 1 6 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.836 -0.634 25969 3815 1 6 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.329 1.306 25969 3816 1 6 . 1 1 86 86 ARG H H 86 8.851 8.851 8.205 0.646 25969 3817 1 6 . 1 1 87 87 LEU N N 87 122.550 122.550 124.274 -1.724 25969 3818 1 6 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.011 0.063 25969 3819 1 6 . 1 1 87 87 LEU C C 87 174.406 174.406 174.436 -0.030 25969 3820 1 6 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.944 1.060 25969 3821 1 6 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.186 1.938 25969 3822 1 6 . 1 1 87 87 LEU H H 87 8.798 8.798 8.052 0.746 25969 3823 1 6 . 1 1 88 88 ASN N N 88 125.347 125.347 123.906 1.441 25969 3824 1 6 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.490 -0.067 25969 3825 1 6 . 1 1 88 88 ASN C C 88 176.576 176.576 176.607 -0.031 25969 3826 1 6 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.792 -0.930 25969 3827 1 6 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.195 0.382 25969 3828 1 6 . 1 1 88 88 ASN H H 88 7.376 7.376 8.272 -0.896 25969 3829 1 6 . 1 1 89 89 GLU N N 89 114.953 114.953 119.073 -4.120 25969 3830 1 6 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.283 -0.887 25969 3831 1 6 . 1 1 89 89 GLU C C 89 176.684 176.684 176.805 -0.121 25969 3832 1 6 . 1 1 89 89 GLU CA C 89 58.540 58.540 59.211 -0.671 25969 3833 1 6 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.836 -0.966 25969 3834 1 6 . 1 1 89 89 GLU H H 89 7.586 7.586 8.406 -0.820 25969 3835 1 6 . 1 1 90 90 SER N N 90 117.110 117.110 114.147 2.963 25969 3836 1 6 . 1 1 90 90 SER HA H 90 4.442 4.442 4.407 0.035 25969 3837 1 6 . 1 1 90 90 SER C C 90 174.051 174.051 174.728 -0.677 25969 3838 1 6 . 1 1 90 90 SER CA C 90 58.895 58.895 58.451 0.444 25969 3839 1 6 . 1 1 90 90 SER CB C 90 63.886 63.886 63.072 0.814 25969 3840 1 6 . 1 1 90 90 SER H H 90 7.385 7.385 8.007 -0.622 25969 3841 1 6 . 1 1 91 91 LEU N N 91 116.559 116.559 118.987 -2.428 25969 3842 1 6 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.004 -0.307 25969 3843 1 6 . 1 1 91 91 LEU C C 91 175.825 175.825 175.482 0.343 25969 3844 1 6 . 1 1 91 91 LEU CA C 91 56.042 56.042 55.998 0.044 25969 3845 1 6 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.085 -1.380 25969 3846 1 6 . 1 1 91 91 LEU H H 91 8.704 8.704 7.729 0.975 25969 3847 1 6 . 1 1 92 92 THR N N 92 115.529 115.529 114.372 1.157 25969 3848 1 6 . 1 1 92 92 THR HA H 92 4.254 4.254 4.406 -0.152 25969 3849 1 6 . 1 1 92 92 THR C C 92 173.425 173.425 173.142 0.283 25969 3850 1 6 . 1 1 92 92 THR CA C 92 62.617 62.617 62.588 0.029 25969 3851 1 6 . 1 1 92 92 THR CB C 92 69.096 69.096 69.495 -0.398 25969 3852 1 6 . 1 1 92 92 THR H H 92 7.704 7.704 7.687 0.017 25969 3853 1 6 . 1 1 93 93 ALA N N 93 130.459 130.459 131.350 -0.891 25969 3854 1 6 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.362 0.325 25969 3855 1 6 . 1 1 93 93 ALA C C 93 177.201 177.201 175.418 1.783 25969 3856 1 6 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.561 0.701 25969 3857 1 6 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.064 -0.254 25969 3858 1 6 . 1 1 93 93 ALA H H 93 9.002 9.002 8.426 0.576 25969 3859 1 6 . 1 1 94 94 VAL N N 94 117.872 117.872 120.599 -2.727 25969 3860 1 6 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.740 0.164 25969 3861 1 6 . 1 1 94 94 VAL C C 94 173.613 173.613 173.809 -0.196 25969 3862 1 6 . 1 1 94 94 VAL CA C 94 59.679 59.679 61.353 -1.674 25969 3863 1 6 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.419 -0.383 25969 3864 1 6 . 1 1 94 94 VAL H H 94 8.833 8.833 8.202 0.631 25969 3865 1 6 . 1 1 95 95 VAL N N 95 121.842 121.842 127.814 -5.972 25969 3866 1 6 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.908 0.345 25969 3867 1 6 . 1 1 95 95 VAL C C 95 174.552 174.552 173.632 0.920 25969 3868 1 6 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.429 -0.487 25969 3869 1 6 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.139 0.761 25969 3870 1 6 . 1 1 95 95 VAL H H 95 9.286 9.286 8.711 0.575 25969 3871 1 6 . 1 1 96 96 CYS N N 96 126.839 126.839 124.361 2.478 25969 3872 1 6 . 1 1 96 96 CYS HA H 96 5.423 5.423 4.982 0.441 25969 3873 1 6 . 1 1 96 96 CYS C C 96 174.135 174.135 175.487 -1.352 25969 3874 1 6 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.978 -3.709 25969 3875 1 6 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.907 15.548 25969 3876 1 6 . 1 1 96 96 CYS H H 96 9.452 9.452 9.007 0.445 25969 3877 1 6 . 1 1 97 97 GLY N N 97 109.718 109.718 108.256 1.462 25969 3878 1 6 . 1 1 97 97 GLY C C 97 172.639 172.639 172.905 -0.266 25969 3879 1 6 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.262 1.126 25969 3880 1 6 . 1 1 97 97 GLY H H 97 8.355 8.355 8.740 -0.385 25969 3881 1 6 . 1 1 98 98 LYS N N 98 114.844 114.844 119.283 -4.439 25969 3882 1 6 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.684 0.060 25969 3883 1 6 . 1 1 98 98 LYS C C 98 174.051 174.051 174.185 -0.134 25969 3884 1 6 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.280 -0.944 25969 3885 1 6 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.439 0.089 25969 3886 1 6 . 1 1 98 98 LYS H H 98 7.632 7.632 7.939 -0.307 25969 3887 1 6 . 1 1 99 99 MET N N 99 124.801 124.801 127.305 -2.504 25969 3888 1 6 . 1 1 99 99 MET HA H 99 5.017 5.017 4.784 0.233 25969 3889 1 6 . 1 1 99 99 MET C C 99 176.337 176.337 174.676 1.661 25969 3890 1 6 . 1 1 99 99 MET CA C 99 54.803 54.803 55.090 -0.287 25969 3891 1 6 . 1 1 99 99 MET CB C 99 34.646 34.646 34.312 0.334 25969 3892 1 6 . 1 1 99 99 MET H H 99 8.759 8.759 8.883 -0.124 25969 3893 1 6 . 1 1 100 100 LYS N N 100 126.252 126.252 125.719 0.533 25969 3894 1 6 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.340 0.036 25969 3895 1 6 . 1 1 100 100 LYS C C 100 177.222 177.222 177.292 -0.070 25969 3896 1 6 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.691 -1.236 25969 3897 1 6 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.016 -0.586 25969 3898 1 6 . 1 1 100 100 LYS H H 100 8.602 8.602 8.075 0.527 25969 3899 1 6 . 1 1 101 101 GLY N N 101 108.944 108.944 106.219 2.725 25969 3900 1 6 . 1 1 101 101 GLY C C 101 173.613 173.613 174.334 -0.721 25969 3901 1 6 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.515 0.070 25969 3902 1 6 . 1 1 101 101 GLY H H 101 8.385 8.385 7.716 0.669 25969 3903 1 6 . 1 1 102 102 LYS N N 102 118.594 118.594 120.668 -2.074 25969 3904 1 6 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.078 0.336 25969 3905 1 6 . 1 1 102 102 LYS C C 102 176.867 176.867 176.484 0.383 25969 3906 1 6 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.725 -1.853 25969 3907 1 6 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.536 1.487 25969 3908 1 6 . 1 1 102 102 LYS H H 102 8.436 8.436 8.397 0.039 25969 3909 1 6 . 1 1 103 103 GLY N N 103 110.581 110.581 108.949 1.632 25969 3910 1 6 . 1 1 103 103 GLY C C 103 171.631 171.631 173.135 -1.504 25969 3911 1 6 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.421 1.499 25969 3912 1 6 . 1 1 103 103 GLY H H 103 8.443 8.443 8.095 0.348 25969 3913 1 6 . 1 1 104 104 SER N N 104 113.710 113.710 116.166 -2.456 25969 3914 1 6 . 1 1 104 104 SER HA H 104 4.697 4.697 4.821 -0.124 25969 3915 1 6 . 1 1 104 104 SER C C 104 174.680 174.680 174.110 0.570 25969 3916 1 6 . 1 1 104 104 SER CA C 104 57.331 57.331 57.333 -0.002 25969 3917 1 6 . 1 1 104 104 SER CB C 104 66.178 66.178 66.645 -0.467 25969 3918 1 6 . 1 1 104 104 SER H H 104 8.535 8.535 8.275 0.260 25969 3919 1 6 . 1 1 105 105 CYS N N 105 118.835 118.835 121.996 -3.161 25969 3920 1 6 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.367 0.245 25969 3921 1 6 . 1 1 105 105 CYS C C 105 176.502 176.502 176.120 0.382 25969 3922 1 6 . 1 1 105 105 CYS CA C 105 57.136 57.136 59.497 -2.361 25969 3923 1 6 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.154 13.258 25969 3924 1 6 . 1 1 105 105 CYS H H 105 10.009 10.009 9.039 0.970 25969 3925 1 6 . 1 1 106 106 THR N N 106 107.957 107.957 114.622 -6.665 25969 3926 1 6 . 1 1 106 106 THR HA H 106 4.574 4.574 3.887 0.687 25969 3927 1 6 . 1 1 106 106 THR C C 106 175.178 175.178 173.462 1.716 25969 3928 1 6 . 1 1 106 106 THR CA C 106 61.014 61.014 64.400 -3.386 25969 3929 1 6 . 1 1 106 106 THR CB C 106 68.495 68.495 67.734 0.761 25969 3930 1 6 . 1 1 106 106 THR H H 106 8.030 8.030 8.747 -0.717 25969 3931 1 6 . 1 1 107 107 ASP N N 107 120.763 120.763 118.703 2.060 25969 3932 1 6 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.743 -0.423 25969 3933 1 6 . 1 1 107 107 ASP C C 107 177.264 177.264 175.836 1.428 25969 3934 1 6 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.737 0.267 25969 3935 1 6 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.717 -2.873 25969 3936 1 6 . 1 1 107 107 ASP H H 107 7.531 7.531 7.906 -0.375 25969 3937 1 6 . 1 1 108 108 GLY N N 108 108.602 108.602 109.653 -1.051 25969 3938 1 6 . 1 1 108 108 GLY C C 108 174.698 174.698 172.892 1.806 25969 3939 1 6 . 1 1 108 108 GLY CA C 108 45.653 45.653 45.362 0.291 25969 3940 1 6 . 1 1 108 108 GLY H H 108 8.591 8.591 7.943 0.648 25969 3941 1 6 . 1 1 109 109 GLU N N 109 120.191 120.191 121.528 -1.337 25969 3942 1 6 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.391 0.061 25969 3943 1 6 . 1 1 109 109 GLU C C 109 176.472 176.472 175.550 0.922 25969 3944 1 6 . 1 1 109 109 GLU CA C 109 55.678 55.678 56.381 -0.703 25969 3945 1 6 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.439 0.445 25969 3946 1 6 . 1 1 109 109 GLU H H 109 8.292 8.292 8.221 0.071 25969 3947 1 6 . 1 1 110 110 GLU N N 110 116.857 116.857 117.641 -0.784 25969 3948 1 6 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.263 -0.047 25969 3949 1 6 . 1 1 110 110 GLU C C 110 176.381 176.381 174.751 1.630 25969 3950 1 6 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.333 0.803 25969 3951 1 6 . 1 1 110 110 GLU CB C 110 31.273 31.273 30.522 0.751 25969 3952 1 6 . 1 1 110 110 GLU H H 110 9.028 9.028 8.400 0.628 25969 3953 1 6 . 1 1 111 111 ILE N N 111 109.164 109.164 114.095 -4.931 25969 3954 1 6 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.918 -0.083 25969 3955 1 6 . 1 1 111 111 ILE C C 111 176.868 176.868 174.250 2.618 25969 3956 1 6 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.490 -0.348 25969 3957 1 6 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.692 1.423 25969 3958 1 6 . 1 1 111 111 ILE H H 111 7.022 7.022 7.295 -0.273 25969 3959 1 6 . 1 1 112 112 PHE N N 112 118.509 118.509 123.331 -4.822 25969 3960 1 6 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.885 0.227 25969 3961 1 6 . 1 1 112 112 PHE C C 112 174.171 174.171 173.533 0.638 25969 3962 1 6 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.841 1.950 25969 3963 1 6 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.590 3.269 25969 3964 1 6 . 1 1 112 112 PHE H H 112 8.605 8.605 8.079 0.526 25969 3965 1 6 . 1 1 113 113 ARG N N 113 119.908 119.908 122.558 -2.650 25969 3966 1 6 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.415 0.357 25969 3967 1 6 . 1 1 113 113 ARG C C 113 176.930 176.930 174.546 2.384 25969 3968 1 6 . 1 1 113 113 ARG CA C 113 55.404 55.404 54.918 0.486 25969 3969 1 6 . 1 1 113 113 ARG CB C 113 33.431 33.431 32.331 1.099 25969 3970 1 6 . 1 1 113 113 ARG H H 113 9.352 9.352 7.610 1.742 25969 3971 1 6 . 1 1 114 114 GLY N N 114 109.477 109.477 113.119 -3.642 25969 3972 1 6 . 1 1 114 114 GLY C C 114 173.738 173.738 172.436 1.302 25969 3973 1 6 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.083 -0.632 25969 3974 1 6 . 1 1 114 114 GLY H H 114 8.467 8.467 8.420 0.047 25969 3975 1 6 . 1 1 115 115 ASN N N 115 119.193 119.193 121.134 -1.941 25969 3976 1 6 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.973 -0.239 25969 3977 1 6 . 1 1 115 115 ASN C C 115 173.530 173.530 173.690 -0.160 25969 3978 1 6 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.402 0.331 25969 3979 1 6 . 1 1 115 115 ASN CB C 115 39.642 39.642 40.930 -1.288 25969 3980 1 6 . 1 1 115 115 ASN H H 115 8.523 8.523 8.479 0.044 25969 3981 1 6 . 1 1 116 116 ASP N N 116 120.602 120.602 123.068 -2.466 25969 3982 1 6 . 1 1 116 116 ASP HA H 116 5.083 5.083 4.942 0.141 25969 3983 1 6 . 1 1 116 116 ASP C C 116 174.030 174.030 174.511 -0.481 25969 3984 1 6 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.921 1.348 25969 3985 1 6 . 1 1 116 116 ASP CB C 116 43.983 43.983 42.543 1.440 25969 3986 1 6 . 1 1 116 116 ASP H H 116 8.098 8.098 8.530 -0.432 25969 3987 1 6 . 1 1 117 117 ALA N N 117 123.146 123.146 121.600 1.546 25969 3988 1 6 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.517 0.199 25969 3989 1 6 . 1 1 117 117 ALA C C 117 175.345 175.345 176.077 -0.732 25969 3990 1 6 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.754 -0.292 25969 3991 1 6 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.701 1.444 25969 3992 1 6 . 1 1 117 117 ALA H H 117 8.979 8.979 8.325 0.654 25969 3993 1 6 . 1 1 118 118 GLU N N 118 115.917 115.917 115.879 0.038 25969 3994 1 6 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.993 -0.098 25969 3995 1 6 . 1 1 118 118 GLU C C 118 177.181 177.181 174.795 2.386 25969 3996 1 6 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.410 -1.052 25969 3997 1 6 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.232 -0.480 25969 3998 1 6 . 1 1 118 118 GLU H H 118 8.829 8.829 8.756 0.073 25969 3999 1 6 . 1 1 119 119 CYS N N 119 119.476 119.476 116.735 2.741 25969 4000 1 6 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.386 0.084 25969 4001 1 6 . 1 1 119 119 CYS C C 119 174.738 174.738 174.609 0.129 25969 4002 1 6 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.172 -1.008 25969 4003 1 6 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.450 13.008 25969 4004 1 6 . 1 1 119 119 CYS H H 119 8.671 8.671 8.147 0.524 25969 4005 1 6 . 1 1 120 120 ARG N N 120 123.444 123.444 121.774 1.670 25969 4006 1 6 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.014 -0.089 25969 4007 1 6 . 1 1 120 120 ARG C C 120 172.028 172.028 173.197 -1.169 25969 4008 1 6 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.049 0.619 25969 4009 1 6 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.686 0.875 25969 4010 1 6 . 1 1 120 120 ARG H H 120 9.238 9.238 9.176 0.062 25969 4011 1 6 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.711 -0.165 25969 4012 1 6 . 1 1 121 121 PRO C C 121 176.138 176.138 175.473 0.665 25969 4013 1 6 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.113 0.907 25969 4014 1 6 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.982 0.180 25969 4015 1 6 . 1 1 122 122 PHE N N 122 124.392 124.392 125.681 -1.289 25969 4016 1 6 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.770 -0.064 25969 4017 1 6 . 1 1 122 122 PHE C C 122 175.032 175.032 174.342 0.690 25969 4018 1 6 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.230 1.178 25969 4019 1 6 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.591 -2.214 25969 4020 1 6 . 1 1 122 122 PHE H H 122 8.335 8.335 8.781 -0.446 25969 4021 1 6 . 1 1 123 123 THR N N 123 118.912 118.912 114.255 4.657 25969 4022 1 6 . 1 1 123 123 THR HA H 123 4.140 4.140 4.568 -0.428 25969 4023 1 6 . 1 1 123 123 THR C C 123 173.071 173.071 174.005 -0.934 25969 4024 1 6 . 1 1 123 123 THR CA C 123 60.948 60.948 60.086 0.862 25969 4025 1 6 . 1 1 123 123 THR CB C 123 69.430 69.430 69.588 -0.158 25969 4026 1 6 . 1 1 123 123 THR H H 123 8.146 8.146 7.898 0.248 25969 4027 1 7 . 1 1 7 7 ARG N N 7 122.494 122.494 121.759 0.735 25969 4028 1 7 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.510 -0.160 25969 4029 1 7 . 1 1 7 7 ARG C C 7 177.037 177.037 175.551 1.486 25969 4030 1 7 . 1 1 7 7 ARG CA C 7 56.724 56.724 56.323 0.401 25969 4031 1 7 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.335 -0.454 25969 4032 1 7 . 1 1 7 7 ARG H H 7 8.649 8.649 8.204 0.445 25969 4033 1 7 . 1 1 8 8 SER N N 8 117.535 117.535 114.838 2.697 25969 4034 1 7 . 1 1 8 8 SER HA H 8 4.384 4.384 4.179 0.205 25969 4035 1 7 . 1 1 8 8 SER C C 8 174.613 174.613 173.425 1.188 25969 4036 1 7 . 1 1 8 8 SER CA C 8 59.412 59.412 58.458 0.954 25969 4037 1 7 . 1 1 8 8 SER CB C 8 63.686 63.686 62.374 1.312 25969 4038 1 7 . 1 1 8 8 SER H H 8 8.522 8.522 8.348 0.174 25969 4039 1 7 . 1 1 9 9 ALA N N 9 126.336 126.336 124.694 1.642 25969 4040 1 7 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.446 0.019 25969 4041 1 7 . 1 1 9 9 ALA C C 9 178.349 178.349 178.882 -0.533 25969 4042 1 7 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.282 0.785 25969 4043 1 7 . 1 1 9 9 ALA CB C 9 18.914 18.914 20.133 -1.219 25969 4044 1 7 . 1 1 9 9 ALA H H 9 8.415 8.415 8.127 0.288 25969 4045 1 7 . 1 1 10 10 ASN N N 10 121.438 121.438 118.658 2.780 25969 4046 1 7 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.731 -0.045 25969 4047 1 7 . 1 1 10 10 ASN C C 10 175.571 175.571 175.826 -0.255 25969 4048 1 7 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.487 -0.240 25969 4049 1 7 . 1 1 10 10 ASN CB C 10 39.125 39.125 37.452 1.673 25969 4050 1 7 . 1 1 10 10 ASN H H 10 9.263 9.263 9.211 0.052 25969 4051 1 7 . 1 1 11 11 LEU N N 11 125.021 125.021 120.835 4.186 25969 4052 1 7 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.882 0.739 25969 4053 1 7 . 1 1 11 11 LEU C C 11 178.567 178.567 177.795 0.772 25969 4054 1 7 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.513 1.373 25969 4055 1 7 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.143 1.117 25969 4056 1 7 . 1 1 11 11 LEU H H 11 8.560 8.560 7.888 0.672 25969 4057 1 7 . 1 1 12 12 ARG N N 12 117.977 117.977 117.991 -0.014 25969 4058 1 7 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.114 0.020 25969 4059 1 7 . 1 1 12 12 ARG C C 12 179.350 179.350 178.556 0.794 25969 4060 1 7 . 1 1 12 12 ARG CA C 12 60.347 60.347 57.972 2.374 25969 4061 1 7 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.642 1.049 25969 4062 1 7 . 1 1 12 12 ARG H H 12 8.114 8.114 8.235 -0.121 25969 4063 1 7 . 1 1 13 13 ALA N N 13 123.280 123.280 121.478 1.802 25969 4064 1 7 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.270 -0.057 25969 4065 1 7 . 1 1 13 13 ALA C C 13 180.957 180.957 179.346 1.611 25969 4066 1 7 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.433 -0.031 25969 4067 1 7 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.319 -0.450 25969 4068 1 7 . 1 1 13 13 ALA H H 13 7.871 7.871 7.776 0.095 25969 4069 1 7 . 1 1 14 14 ALA N N 14 122.111 122.111 121.128 0.983 25969 4070 1 7 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.921 -0.216 25969 4071 1 7 . 1 1 14 14 ALA C C 14 178.578 178.578 178.841 -0.263 25969 4072 1 7 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.383 1.022 25969 4073 1 7 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.990 -0.730 25969 4074 1 7 . 1 1 14 14 ALA H H 14 7.930 7.930 7.249 0.681 25969 4075 1 7 . 1 1 15 15 HIS N N 15 118.502 118.502 117.148 1.354 25969 4076 1 7 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.229 -0.453 25969 4077 1 7 . 1 1 15 15 HIS C C 15 176.304 176.304 177.059 -0.755 25969 4078 1 7 . 1 1 15 15 HIS CA C 15 60.031 60.031 60.001 0.030 25969 4079 1 7 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.844 1.526 25969 4080 1 7 . 1 1 15 15 HIS H H 15 8.422 8.422 8.833 -0.411 25969 4081 1 7 . 1 1 16 16 ALA N N 16 120.116 120.116 119.693 0.423 25969 4082 1 7 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.324 -0.470 25969 4083 1 7 . 1 1 16 16 ALA C C 16 180.644 180.644 178.674 1.970 25969 4084 1 7 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.794 1.677 25969 4085 1 7 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.816 -1.014 25969 4086 1 7 . 1 1 16 16 ALA H H 16 7.980 7.980 7.477 0.503 25969 4087 1 7 . 1 1 17 17 ALA N N 17 121.281 121.281 123.399 -2.118 25969 4088 1 7 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.078 0.098 25969 4089 1 7 . 1 1 17 17 ALA C C 17 180.122 180.122 179.101 1.021 25969 4090 1 7 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.855 -0.386 25969 4091 1 7 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.552 1.588 25969 4092 1 7 . 1 1 17 17 ALA H H 17 7.465 7.465 7.464 0.001 25969 4093 1 7 . 1 1 18 18 LEU N N 18 120.262 120.262 118.341 1.921 25969 4094 1 7 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.074 -0.267 25969 4095 1 7 . 1 1 18 18 LEU C C 18 178.766 178.766 179.368 -0.602 25969 4096 1 7 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.382 1.362 25969 4097 1 7 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.847 0.864 25969 4098 1 7 . 1 1 18 18 LEU H H 18 8.468 8.468 8.517 -0.049 25969 4099 1 7 . 1 1 19 19 LEU N N 19 119.078 119.078 120.838 -1.760 25969 4100 1 7 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.161 -0.299 25969 4101 1 7 . 1 1 19 19 LEU C C 19 179.517 179.517 178.331 1.186 25969 4102 1 7 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.319 -0.310 25969 4103 1 7 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.103 0.342 25969 4104 1 7 . 1 1 19 19 LEU H H 19 8.029 8.029 7.493 0.536 25969 4105 1 7 . 1 1 20 20 GLU N N 20 121.499 121.499 119.856 1.643 25969 4106 1 7 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.011 0.016 25969 4107 1 7 . 1 1 20 20 GLU C C 20 180.289 180.289 179.285 1.004 25969 4108 1 7 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.964 -0.085 25969 4109 1 7 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.306 -0.016 25969 4110 1 7 . 1 1 20 20 GLU H H 20 7.895 7.895 8.521 -0.626 25969 4111 1 7 . 1 1 21 21 ASN N N 21 119.066 119.066 118.165 0.901 25969 4112 1 7 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.674 -0.136 25969 4113 1 7 . 1 1 21 21 ASN C C 21 177.368 177.368 177.071 0.297 25969 4114 1 7 . 1 1 21 21 ASN CA C 21 55.872 55.872 56.266 -0.394 25969 4115 1 7 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.823 1.621 25969 4116 1 7 . 1 1 21 21 ASN H H 21 8.373 8.373 8.400 -0.027 25969 4117 1 7 . 1 1 22 22 ALA N N 22 125.274 125.274 124.075 1.199 25969 4118 1 7 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.067 -0.294 25969 4119 1 7 . 1 1 22 22 ALA C C 22 179.402 179.402 179.982 -0.580 25969 4120 1 7 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.236 0.235 25969 4121 1 7 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.658 -0.438 25969 4122 1 7 . 1 1 22 22 ALA H H 22 8.886 8.886 8.477 0.409 25969 4123 1 7 . 1 1 23 23 ARG N N 23 119.945 119.945 116.849 3.096 25969 4124 1 7 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.216 -0.019 25969 4125 1 7 . 1 1 23 23 ARG C C 23 179.726 179.726 178.574 1.152 25969 4126 1 7 . 1 1 23 23 ARG CA C 23 59.812 59.812 58.761 1.051 25969 4127 1 7 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.798 -0.107 25969 4128 1 7 . 1 1 23 23 ARG H H 23 8.168 8.168 8.354 -0.186 25969 4129 1 7 . 1 1 24 24 PHE N N 24 121.222 121.222 120.536 0.686 25969 4130 1 7 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.393 -0.026 25969 4131 1 7 . 1 1 24 24 PHE C C 24 177.410 177.410 177.920 -0.510 25969 4132 1 7 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.580 -0.232 25969 4133 1 7 . 1 1 24 24 PHE CB C 24 37.906 37.906 38.993 -1.087 25969 4134 1 7 . 1 1 24 24 PHE H H 24 7.658 7.658 7.729 -0.071 25969 4135 1 7 . 1 1 25 25 MET N N 25 120.355 120.355 118.916 1.439 25969 4136 1 7 . 1 1 25 25 MET HA H 25 4.300 4.300 4.607 -0.307 25969 4137 1 7 . 1 1 25 25 MET C C 25 179.371 179.371 178.179 1.192 25969 4138 1 7 . 1 1 25 25 MET CA C 25 55.939 55.939 55.745 0.194 25969 4139 1 7 . 1 1 25 25 MET CB C 25 29.424 29.424 31.396 -1.972 25969 4140 1 7 . 1 1 25 25 MET H H 25 8.358 8.358 9.117 -0.759 25969 4141 1 7 . 1 1 26 26 GLU N N 26 120.164 120.164 120.216 -0.052 25969 4142 1 7 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.283 0.055 25969 4143 1 7 . 1 1 26 26 GLU C C 26 179.934 179.934 179.810 0.124 25969 4144 1 7 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.671 0.382 25969 4145 1 7 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.509 -0.025 25969 4146 1 7 . 1 1 26 26 GLU H H 26 8.441 8.441 8.502 -0.061 25969 4147 1 7 . 1 1 27 27 GLN N N 27 121.309 121.309 118.615 2.694 25969 4148 1 7 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.272 -0.140 25969 4149 1 7 . 1 1 27 27 GLN C C 27 178.307 178.307 178.206 0.101 25969 4150 1 7 . 1 1 27 27 GLN CA C 27 58.610 58.610 57.829 0.781 25969 4151 1 7 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.768 -0.680 25969 4152 1 7 . 1 1 27 27 GLN H H 27 8.001 8.001 8.210 -0.209 25969 4153 1 7 . 1 1 28 28 PHE N N 28 124.569 124.569 122.217 2.352 25969 4154 1 7 . 1 1 28 28 PHE HA H 28 3.814 3.814 4.041 -0.227 25969 4155 1 7 . 1 1 28 28 PHE C C 28 177.717 177.717 177.544 0.173 25969 4156 1 7 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.548 0.644 25969 4157 1 7 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.008 0.335 25969 4158 1 7 . 1 1 28 28 PHE H H 28 8.760 8.760 8.424 0.336 25969 4159 1 7 . 1 1 29 29 TYR N N 29 121.726 121.726 119.861 1.865 25969 4160 1 7 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.125 -0.330 25969 4161 1 7 . 1 1 29 29 TYR C C 29 179.079 179.079 176.887 2.192 25969 4162 1 7 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.461 -0.513 25969 4163 1 7 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.500 0.207 25969 4164 1 7 . 1 1 29 29 TYR H H 29 8.956 8.956 8.582 0.374 25969 4165 1 7 . 1 1 30 30 ALA N N 30 121.142 121.142 120.198 0.944 25969 4166 1 7 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.088 -0.040 25969 4167 1 7 . 1 1 30 30 ALA C C 30 174.781 174.781 178.492 -3.711 25969 4168 1 7 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.228 0.642 25969 4169 1 7 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.280 -0.411 25969 4170 1 7 . 1 1 30 30 ALA H H 30 8.063 8.063 7.731 0.332 25969 4171 1 7 . 1 1 31 31 LYS N N 31 114.745 114.745 115.673 -0.928 25969 4172 1 7 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.222 -0.034 25969 4173 1 7 . 1 1 31 31 LYS C C 31 177.744 177.744 177.249 0.495 25969 4174 1 7 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.526 -0.117 25969 4175 1 7 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.405 -0.230 25969 4176 1 7 . 1 1 31 31 LYS H H 31 7.172 7.172 7.991 -0.819 25969 4177 1 7 . 1 1 32 32 LYS N N 32 117.388 117.388 117.106 0.282 25969 4178 1 7 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.242 -0.129 25969 4179 1 7 . 1 1 32 32 LYS C C 32 177.747 177.747 176.702 1.045 25969 4180 1 7 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.161 -0.356 25969 4181 1 7 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.336 -0.438 25969 4182 1 7 . 1 1 32 32 LYS H H 32 8.154 8.154 7.751 0.403 25969 4183 1 7 . 1 1 33 33 GLY N N 33 109.017 109.017 106.004 3.013 25969 4184 1 7 . 1 1 33 33 GLY C C 33 171.798 171.798 173.281 -1.483 25969 4185 1 7 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.679 -0.028 25969 4186 1 7 . 1 1 33 33 GLY H H 33 8.945 8.945 8.224 0.721 25969 4187 1 7 . 1 1 34 34 SER N N 34 110.165 110.165 114.047 -3.882 25969 4188 1 7 . 1 1 34 34 SER HA H 34 4.136 4.136 5.203 -1.067 25969 4189 1 7 . 1 1 34 34 SER C C 34 172.862 172.862 173.501 -0.639 25969 4190 1 7 . 1 1 34 34 SER CA C 34 56.673 56.673 57.507 -0.834 25969 4191 1 7 . 1 1 34 34 SER CB C 34 64.621 64.621 66.487 -1.866 25969 4192 1 7 . 1 1 34 34 SER H H 34 6.756 6.756 7.817 -1.061 25969 4193 1 7 . 1 1 35 35 PHE N N 35 121.132 121.132 121.060 0.072 25969 4194 1 7 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.773 0.341 25969 4195 1 7 . 1 1 35 35 PHE C C 35 172.888 172.888 175.340 -2.452 25969 4196 1 7 . 1 1 35 35 PHE CA C 35 59.260 59.260 58.751 0.509 25969 4197 1 7 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.119 0.369 25969 4198 1 7 . 1 1 35 35 PHE H H 35 9.403 9.403 8.916 0.487 25969 4199 1 7 . 1 1 36 36 LYS N N 36 114.841 114.841 120.557 -5.716 25969 4200 1 7 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.399 -0.015 25969 4201 1 7 . 1 1 36 36 LYS C C 36 177.118 177.118 176.877 0.241 25969 4202 1 7 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.688 -0.416 25969 4203 1 7 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.446 -0.349 25969 4204 1 7 . 1 1 36 36 LYS H H 36 8.536 8.536 8.078 0.458 25969 4205 1 7 . 1 1 37 37 LEU N N 37 124.789 124.789 121.774 3.015 25969 4206 1 7 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.701 -0.251 25969 4207 1 7 . 1 1 37 37 LEU C C 37 177.535 177.535 176.857 0.678 25969 4208 1 7 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.639 2.103 25969 4209 1 7 . 1 1 37 37 LEU CB C 37 44.251 44.251 41.935 2.316 25969 4210 1 7 . 1 1 37 37 LEU H H 37 8.503 8.503 8.429 0.074 25969 4211 1 7 . 1 1 38 38 THR N N 38 108.556 108.556 112.136 -3.580 25969 4212 1 7 . 1 1 38 38 THR HA H 38 4.619 4.619 4.492 0.127 25969 4213 1 7 . 1 1 38 38 THR C C 38 173.947 173.947 173.418 0.529 25969 4214 1 7 . 1 1 38 38 THR CA C 38 58.944 58.944 60.796 -1.852 25969 4215 1 7 . 1 1 38 38 THR CB C 38 71.818 71.818 70.091 1.727 25969 4216 1 7 . 1 1 38 38 THR H H 38 8.189 8.189 7.482 0.707 25969 4217 1 7 . 1 1 39 39 SER N N 39 110.757 110.757 118.133 -7.376 25969 4218 1 7 . 1 1 39 39 SER HA H 39 4.057 4.057 4.492 -0.435 25969 4219 1 7 . 1 1 39 39 SER C C 39 174.904 174.904 174.263 0.641 25969 4220 1 7 . 1 1 39 39 SER CA C 39 60.938 60.938 59.468 1.470 25969 4221 1 7 . 1 1 39 39 SER CB C 39 63.218 63.218 63.317 -0.099 25969 4222 1 7 . 1 1 39 39 SER H H 39 8.590 8.590 8.476 0.114 25969 4223 1 7 . 1 1 40 40 THR N N 40 129.807 129.807 113.017 16.790 25969 4224 1 7 . 1 1 40 40 THR HA H 40 4.453 4.453 3.779 0.674 25969 4225 1 7 . 1 1 40 40 THR C C 40 174.928 174.928 173.167 1.761 25969 4226 1 7 . 1 1 40 40 THR CA C 40 60.351 60.351 62.521 -2.170 25969 4227 1 7 . 1 1 40 40 THR CB C 40 69.910 69.910 68.028 1.883 25969 4228 1 7 . 1 1 40 40 THR H H 40 7.570 7.570 8.454 -0.884 25969 4229 1 7 . 1 1 41 41 LYS N N 41 125.614 125.614 120.134 5.480 25969 4230 1 7 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.608 0.104 25969 4231 1 7 . 1 1 41 41 LYS C C 41 174.907 174.907 174.439 0.468 25969 4232 1 7 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.499 1.239 25969 4233 1 7 . 1 1 41 41 LYS CB C 41 37.042 37.042 36.016 1.026 25969 4234 1 7 . 1 1 41 41 LYS H H 41 7.425 7.425 7.949 -0.524 25969 4235 1 7 . 1 1 42 42 TRP N N 42 124.827 124.827 123.282 1.545 25969 4236 1 7 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.103 -0.001 25969 4237 1 7 . 1 1 42 42 TRP C C 42 173.384 173.384 174.698 -1.314 25969 4238 1 7 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.865 1.537 25969 4239 1 7 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.577 0.314 25969 4240 1 7 . 1 1 42 42 TRP H H 42 8.590 8.590 8.650 -0.060 25969 4241 1 7 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.484 -0.037 25969 4242 1 7 . 1 1 43 43 PRO C C 43 174.990 174.990 175.880 -0.890 25969 4243 1 7 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.846 -0.295 25969 4244 1 7 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.504 -0.409 25969 4245 1 7 . 1 1 44 44 GLU N N 44 120.080 120.080 124.142 -4.062 25969 4246 1 7 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.162 -0.197 25969 4247 1 7 . 1 1 44 44 GLU C C 44 175.699 175.699 175.944 -0.245 25969 4248 1 7 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.424 -0.218 25969 4249 1 7 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.160 -0.578 25969 4250 1 7 . 1 1 44 44 GLU H H 44 8.134 8.134 8.326 -0.192 25969 4251 1 7 . 1 1 45 45 LEU N N 45 125.972 125.972 124.260 1.712 25969 4252 1 7 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.699 -0.736 25969 4253 1 7 . 1 1 45 45 LEU C C 45 176.242 176.242 175.307 0.935 25969 4254 1 7 . 1 1 45 45 LEU CA C 45 51.731 51.731 50.913 0.818 25969 4255 1 7 . 1 1 45 45 LEU CB C 45 41.312 41.312 40.596 0.716 25969 4256 1 7 . 1 1 45 45 LEU H H 45 8.363 8.363 8.094 0.269 25969 4257 1 7 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.160 0.014 25969 4258 1 7 . 1 1 46 46 PRO C C 46 177.702 177.702 176.229 1.473 25969 4259 1 7 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.670 0.150 25969 4260 1 7 . 1 1 46 46 PRO CB C 46 31.561 31.561 32.156 -0.595 25969 4261 1 7 . 1 1 47 47 VAL N N 47 119.474 119.474 118.850 0.624 25969 4262 1 7 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.821 0.414 25969 4263 1 7 . 1 1 47 47 VAL C C 47 175.178 175.178 175.847 -0.669 25969 4264 1 7 . 1 1 47 47 VAL CA C 47 62.016 62.016 63.088 -1.072 25969 4265 1 7 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.773 -0.625 25969 4266 1 7 . 1 1 47 47 VAL H H 47 7.836 7.836 8.106 -0.270 25969 4267 1 7 . 1 1 48 48 LYS N N 48 124.385 124.385 124.215 0.170 25969 4268 1 7 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.654 -0.345 25969 4269 1 7 . 1 1 48 48 LYS C C 48 176.534 176.534 175.205 1.329 25969 4270 1 7 . 1 1 48 48 LYS CA C 48 57.141 57.141 55.813 1.328 25969 4271 1 7 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.463 0.369 25969 4272 1 7 . 1 1 48 48 LYS H H 48 8.638 8.638 8.291 0.347 25969 4273 1 7 . 1 1 49 49 GLU N N 49 118.262 118.262 117.568 0.694 25969 4274 1 7 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.614 0.617 25969 4275 1 7 . 1 1 49 49 GLU C C 49 174.552 174.552 174.158 0.394 25969 4276 1 7 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.926 -0.655 25969 4277 1 7 . 1 1 49 49 GLU CB C 49 33.297 33.297 32.497 0.800 25969 4278 1 7 . 1 1 49 49 GLU H H 49 7.473 7.473 7.553 -0.080 25969 4279 1 7 . 1 1 50 50 ALA N N 50 124.186 124.186 128.295 -4.109 25969 4280 1 7 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.550 -0.099 25969 4281 1 7 . 1 1 50 50 ALA C C 50 177.890 177.890 176.607 1.283 25969 4282 1 7 . 1 1 50 50 ALA CA C 50 53.133 53.133 53.204 -0.071 25969 4283 1 7 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.319 3.295 25969 4284 1 7 . 1 1 50 50 ALA H H 50 8.902 8.902 8.961 -0.059 25969 4285 1 7 . 1 1 51 51 GLY N N 51 109.041 109.041 104.919 4.122 25969 4286 1 7 . 1 1 51 51 GLY C C 51 173.759 173.759 174.596 -0.837 25969 4287 1 7 . 1 1 51 51 GLY CA C 51 47.657 47.657 45.872 1.785 25969 4288 1 7 . 1 1 51 51 GLY H H 51 9.113 9.113 8.224 0.889 25969 4289 1 7 . 1 1 52 52 GLY N N 52 104.272 104.272 107.413 -3.141 25969 4290 1 7 . 1 1 52 52 GLY C C 52 174.156 174.156 172.995 1.161 25969 4291 1 7 . 1 1 52 52 GLY CA C 52 45.520 45.520 44.685 0.835 25969 4292 1 7 . 1 1 52 52 GLY H H 52 8.873 8.873 8.577 0.296 25969 4293 1 7 . 1 1 53 53 PHE N N 53 120.324 120.324 119.665 0.659 25969 4294 1 7 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.511 -0.354 25969 4295 1 7 . 1 1 53 53 PHE C C 53 175.574 175.574 174.188 1.386 25969 4296 1 7 . 1 1 53 53 PHE CA C 53 56.940 56.940 54.850 2.090 25969 4297 1 7 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.288 -1.909 25969 4298 1 7 . 1 1 53 53 PHE H H 53 8.278 8.278 7.717 0.561 25969 4299 1 7 . 1 1 54 54 CYS N N 54 116.465 116.465 117.821 -1.356 25969 4300 1 7 . 1 1 54 54 CYS HA H 54 5.660 5.660 5.051 0.609 25969 4301 1 7 . 1 1 54 54 CYS C C 54 173.092 173.092 173.339 -0.247 25969 4302 1 7 . 1 1 54 54 CYS CA C 54 54.997 54.997 56.046 -1.049 25969 4303 1 7 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.119 15.377 25969 4304 1 7 . 1 1 54 54 CYS H H 54 9.911 9.911 9.300 0.611 25969 4305 1 7 . 1 1 55 55 ILE N N 55 119.910 119.910 123.093 -3.183 25969 4306 1 7 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.004 0.307 25969 4307 1 7 . 1 1 55 55 ILE C C 55 175.366 175.366 175.929 -0.563 25969 4308 1 7 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.278 0.202 25969 4309 1 7 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.124 -0.425 25969 4310 1 7 . 1 1 55 55 ILE H H 55 7.971 7.971 8.467 -0.496 25969 4311 1 7 . 1 1 56 56 ARG N N 56 122.445 122.445 120.682 1.763 25969 4312 1 7 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.716 -0.095 25969 4313 1 7 . 1 1 56 56 ARG C C 56 174.948 174.948 174.159 0.789 25969 4314 1 7 . 1 1 56 56 ARG CA C 56 53.467 53.467 53.800 -0.333 25969 4315 1 7 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.001 1.409 25969 4316 1 7 . 1 1 56 56 ARG H H 56 8.927 8.927 7.977 0.950 25969 4317 1 7 . 1 1 57 57 MET N N 57 119.875 119.875 119.277 0.598 25969 4318 1 7 . 1 1 57 57 MET HA H 57 4.574 4.574 4.561 0.013 25969 4319 1 7 . 1 1 57 57 MET C C 57 175.845 175.845 175.781 0.064 25969 4320 1 7 . 1 1 57 57 MET CA C 57 55.204 55.204 55.327 -0.123 25969 4321 1 7 . 1 1 57 57 MET CB C 57 32.162 32.162 34.399 -2.237 25969 4322 1 7 . 1 1 57 57 MET H H 57 9.022 9.022 8.575 0.447 25969 4323 1 7 . 1 1 58 58 SER N N 58 114.338 114.338 117.799 -3.461 25969 4324 1 7 . 1 1 58 58 SER HA H 58 5.138 5.138 4.352 0.786 25969 4325 1 7 . 1 1 58 58 SER C C 58 175.866 175.866 175.114 0.752 25969 4326 1 7 . 1 1 58 58 SER CA C 58 56.084 56.084 60.046 -3.962 25969 4327 1 7 . 1 1 58 58 SER CB C 58 63.977 63.977 63.990 -0.013 25969 4328 1 7 . 1 1 58 58 SER H H 58 8.559 8.559 8.614 -0.055 25969 4329 1 7 . 1 1 59 59 GLY N N 59 116.880 116.880 108.030 8.850 25969 4330 1 7 . 1 1 59 59 GLY C C 59 172.257 172.257 173.839 -1.582 25969 4331 1 7 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.194 -1.492 25969 4332 1 7 . 1 1 59 59 GLY H H 59 8.919 8.919 8.467 0.452 25969 4333 1 7 . 1 1 60 60 GLN N N 60 121.745 121.745 119.142 2.603 25969 4334 1 7 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.432 -0.041 25969 4335 1 7 . 1 1 60 60 GLN C C 60 177.222 177.222 177.186 0.036 25969 4336 1 7 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.205 -0.200 25969 4337 1 7 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.165 -0.323 25969 4338 1 7 . 1 1 60 60 GLN H H 60 8.575 8.575 8.431 0.144 25969 4339 1 7 . 1 1 61 61 ALA N N 61 128.305 128.305 126.136 2.169 25969 4340 1 7 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.937 -0.538 25969 4341 1 7 . 1 1 61 61 ALA C C 61 178.704 178.704 179.380 -0.676 25969 4342 1 7 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.698 0.591 25969 4343 1 7 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.786 -1.854 25969 4344 1 7 . 1 1 61 61 ALA H H 61 8.576 8.576 8.286 0.290 25969 4345 1 7 . 1 1 62 62 LYS N N 62 114.337 114.337 117.870 -3.533 25969 4346 1 7 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.270 -0.094 25969 4347 1 7 . 1 1 62 62 LYS C C 62 177.327 177.327 177.772 -0.445 25969 4348 1 7 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.854 0.222 25969 4349 1 7 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.359 -0.064 25969 4350 1 7 . 1 1 62 62 LYS H H 62 8.272 8.272 8.115 0.157 25969 4351 1 7 . 1 1 63 63 GLY N N 63 107.059 107.059 109.790 -2.731 25969 4352 1 7 . 1 1 63 63 GLY C C 63 173.759 173.759 173.627 0.132 25969 4353 1 7 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.310 0.475 25969 4354 1 7 . 1 1 63 63 GLY H H 63 7.813 7.813 8.115 -0.302 25969 4355 1 7 . 1 1 64 64 ILE N N 64 122.496 122.496 121.850 0.646 25969 4356 1 7 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.370 0.086 25969 4357 1 7 . 1 1 64 64 ILE C C 64 176.033 176.033 176.008 0.025 25969 4358 1 7 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.631 0.912 25969 4359 1 7 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.233 -2.261 25969 4360 1 7 . 1 1 64 64 ILE H H 64 7.256 7.256 7.240 0.016 25969 4361 1 7 . 1 1 65 65 LEU N N 65 128.858 128.858 122.122 6.736 25969 4362 1 7 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.149 0.104 25969 4363 1 7 . 1 1 65 65 LEU C C 65 178.203 178.203 176.046 2.157 25969 4364 1 7 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.240 -0.702 25969 4365 1 7 . 1 1 65 65 LEU CB C 65 42.536 42.536 42.153 0.383 25969 4366 1 7 . 1 1 65 65 LEU H H 65 8.417 8.417 8.490 -0.073 25969 4367 1 7 . 1 1 66 66 GLU N N 66 119.109 119.109 124.173 -5.064 25969 4368 1 7 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.653 -0.412 25969 4369 1 7 . 1 1 66 66 GLU C C 66 177.436 177.436 176.395 1.041 25969 4370 1 7 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.074 1.184 25969 4371 1 7 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.906 -2.807 25969 4372 1 7 . 1 1 66 66 GLU H H 66 8.590 8.590 8.423 0.167 25969 4373 1 7 . 1 1 67 67 GLY N N 67 108.490 108.490 111.780 -3.290 25969 4374 1 7 . 1 1 67 67 GLY C C 67 173.551 173.551 173.313 0.238 25969 4375 1 7 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.646 0.475 25969 4376 1 7 . 1 1 67 67 GLY H H 67 9.498 9.498 8.841 0.657 25969 4377 1 7 . 1 1 68 68 LYS N N 68 117.773 117.773 119.415 -1.642 25969 4378 1 7 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.431 0.365 25969 4379 1 7 . 1 1 68 68 LYS C C 68 175.637 175.637 174.406 1.231 25969 4380 1 7 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.643 -0.374 25969 4381 1 7 . 1 1 68 68 LYS CB C 68 35.702 35.702 35.110 0.592 25969 4382 1 7 . 1 1 68 68 LYS H H 68 7.604 7.604 7.446 0.158 25969 4383 1 7 . 1 1 69 69 PHE N N 69 114.518 114.518 123.087 -8.569 25969 4384 1 7 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.490 -0.018 25969 4385 1 7 . 1 1 69 69 PHE C C 69 172.591 172.591 174.240 -1.649 25969 4386 1 7 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.476 3.602 25969 4387 1 7 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.387 0.990 25969 4388 1 7 . 1 1 69 69 PHE H H 69 8.439 8.439 8.780 -0.341 25969 4389 1 7 . 1 1 70 70 THR N N 70 115.260 115.260 117.245 -1.985 25969 4390 1 7 . 1 1 70 70 THR HA H 70 4.602 4.602 4.790 -0.188 25969 4391 1 7 . 1 1 70 70 THR C C 70 172.508 172.508 172.931 -0.423 25969 4392 1 7 . 1 1 70 70 THR CA C 70 62.484 62.484 61.612 0.872 25969 4393 1 7 . 1 1 70 70 THR CB C 70 71.367 71.367 72.289 -0.922 25969 4394 1 7 . 1 1 70 70 THR H H 70 8.474 8.474 8.406 0.068 25969 4395 1 7 . 1 1 71 71 LEU N N 71 128.144 128.144 123.307 4.837 25969 4396 1 7 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.681 -0.173 25969 4397 1 7 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.703 0.232 25969 4398 1 7 . 1 1 71 71 LEU CB C 71 46.855 46.855 46.228 0.627 25969 4399 1 7 . 1 1 71 71 LEU H H 71 9.284 9.284 8.158 1.126 25969 4400 1 7 . 1 1 72 72 LYS N N 72 122.603 122.603 121.568 1.035 25969 4401 1 7 . 1 1 72 72 LYS HA H 72 5.388 5.388 4.978 0.410 25969 4402 1 7 . 1 1 72 72 LYS C C 72 171.972 171.972 174.870 -2.898 25969 4403 1 7 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.451 -0.049 25969 4404 1 7 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.400 3.192 25969 4405 1 7 . 1 1 72 72 LYS H H 72 9.123 9.123 8.076 1.047 25969 4406 1 7 . 1 1 73 73 ALA N N 73 128.927 128.927 128.930 -0.003 25969 4407 1 7 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.526 0.325 25969 4408 1 7 . 1 1 73 73 ALA C C 73 175.324 175.324 175.889 -0.565 25969 4409 1 7 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.608 -0.482 25969 4410 1 7 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.145 -0.669 25969 4411 1 7 . 1 1 73 73 ALA H H 73 9.178 9.178 8.921 0.257 25969 4412 1 7 . 1 1 74 74 VAL N N 74 123.425 123.425 120.430 2.995 25969 4413 1 7 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.079 0.060 25969 4414 1 7 . 1 1 74 74 VAL C C 74 173.425 173.425 174.157 -0.732 25969 4415 1 7 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.071 0.779 25969 4416 1 7 . 1 1 74 74 VAL CB C 74 35.768 35.768 36.351 -0.583 25969 4417 1 7 . 1 1 74 74 VAL H H 74 8.727 8.727 8.772 -0.045 25969 4418 1 7 . 1 1 75 75 ALA N N 75 130.762 130.762 127.466 3.296 25969 4419 1 7 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.441 0.217 25969 4420 1 7 . 1 1 75 75 ALA C C 75 177.327 177.327 178.634 -1.307 25969 4421 1 7 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.077 1.123 25969 4422 1 7 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.905 0.701 25969 4423 1 7 . 1 1 75 75 ALA H H 75 9.164 9.164 7.631 1.533 25969 4424 1 7 . 1 1 76 76 LEU N N 76 119.175 119.175 123.377 -4.202 25969 4425 1 7 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.048 -0.254 25969 4426 1 7 . 1 1 76 76 LEU C C 76 178.036 178.036 177.784 0.252 25969 4427 1 7 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.348 0.928 25969 4428 1 7 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.085 -0.239 25969 4429 1 7 . 1 1 76 76 LEU H H 76 8.269 8.269 8.876 -0.607 25969 4430 1 7 . 1 1 77 77 ASP N N 77 115.777 115.777 115.555 0.222 25969 4431 1 7 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.769 0.027 25969 4432 1 7 . 1 1 77 77 ASP C C 77 176.012 176.012 176.835 -0.823 25969 4433 1 7 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.899 -2.168 25969 4434 1 7 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.271 -0.095 25969 4435 1 7 . 1 1 77 77 ASP H H 77 7.715 7.715 8.228 -0.513 25969 4436 1 7 . 1 1 78 78 ARG N N 78 122.846 122.846 119.553 3.293 25969 4437 1 7 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.084 -0.001 25969 4438 1 7 . 1 1 78 78 ARG C C 78 177.869 177.869 176.933 0.936 25969 4439 1 7 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.424 -1.016 25969 4440 1 7 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.134 0.490 25969 4441 1 7 . 1 1 78 78 ARG H H 78 8.408 8.408 7.232 1.176 25969 4442 1 7 . 1 1 79 79 GLU N N 79 118.091 118.091 118.855 -0.764 25969 4443 1 7 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.045 -0.026 25969 4444 1 7 . 1 1 79 79 GLU C C 79 177.930 177.930 177.174 0.756 25969 4445 1 7 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.403 -0.079 25969 4446 1 7 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.229 -0.095 25969 4447 1 7 . 1 1 79 79 GLU H H 79 7.888 7.888 8.294 -0.406 25969 4448 1 7 . 1 1 80 80 ALA N N 80 120.528 120.528 118.948 1.580 25969 4449 1 7 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.430 -0.328 25969 4450 1 7 . 1 1 80 80 ALA C C 80 178.142 178.142 176.664 1.478 25969 4451 1 7 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.672 0.395 25969 4452 1 7 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.567 -1.295 25969 4453 1 7 . 1 1 80 80 ALA H H 80 7.175 7.175 8.060 -0.885 25969 4454 1 7 . 1 1 81 81 GLU N N 81 115.377 115.377 118.441 -3.064 25969 4455 1 7 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.791 -0.029 25969 4456 1 7 . 1 1 81 81 GLU C C 81 171.047 171.047 174.943 -3.896 25969 4457 1 7 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.560 -0.362 25969 4458 1 7 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.471 1.222 25969 4459 1 7 . 1 1 81 81 GLU H H 81 7.457 7.457 7.405 0.052 25969 4460 1 7 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.165 0.532 25969 4461 1 7 . 1 1 82 82 PRO C C 82 177.636 177.636 176.471 1.165 25969 4462 1 7 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.936 -1.345 25969 4463 1 7 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.783 1.049 25969 4464 1 7 . 1 1 83 83 ARG N N 83 118.488 118.488 118.011 0.477 25969 4465 1 7 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.481 0.093 25969 4466 1 7 . 1 1 83 83 ARG C C 83 176.870 176.870 175.855 1.015 25969 4467 1 7 . 1 1 83 83 ARG CA C 83 57.044 57.044 56.978 0.066 25969 4468 1 7 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.634 0.542 25969 4469 1 7 . 1 1 83 83 ARG H H 83 8.554 8.554 7.739 0.815 25969 4470 1 7 . 1 1 84 84 VAL N N 84 111.376 111.376 120.051 -8.675 25969 4471 1 7 . 1 1 84 84 VAL HA H 84 5.027 5.027 4.973 0.054 25969 4472 1 7 . 1 1 84 84 VAL C C 84 174.302 174.302 174.364 -0.062 25969 4473 1 7 . 1 1 84 84 VAL CA C 84 58.543 58.543 60.699 -2.156 25969 4474 1 7 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.752 -0.062 25969 4475 1 7 . 1 1 84 84 VAL H H 84 8.304 8.304 8.431 -0.127 25969 4476 1 7 . 1 1 85 85 LEU N N 85 122.000 122.000 122.650 -0.650 25969 4477 1 7 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.079 0.249 25969 4478 1 7 . 1 1 85 85 LEU C C 85 175.491 175.491 174.530 0.961 25969 4479 1 7 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.167 -0.301 25969 4480 1 7 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.839 0.283 25969 4481 1 7 . 1 1 85 85 LEU H H 85 8.095 8.095 8.849 -0.754 25969 4482 1 7 . 1 1 86 86 ARG N N 86 119.409 119.409 121.061 -1.652 25969 4483 1 7 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.292 0.178 25969 4484 1 7 . 1 1 86 86 ARG C C 86 174.928 174.928 173.689 1.239 25969 4485 1 7 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.905 -0.703 25969 4486 1 7 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.283 1.352 25969 4487 1 7 . 1 1 86 86 ARG H H 86 8.851 8.851 8.068 0.783 25969 4488 1 7 . 1 1 87 87 LEU N N 87 122.550 122.550 124.249 -1.699 25969 4489 1 7 . 1 1 87 87 LEU HA H 87 5.074 5.074 4.981 0.093 25969 4490 1 7 . 1 1 87 87 LEU C C 87 174.406 174.406 174.051 0.355 25969 4491 1 7 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.968 1.036 25969 4492 1 7 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.367 1.756 25969 4493 1 7 . 1 1 87 87 LEU H H 87 8.798 8.798 8.083 0.715 25969 4494 1 7 . 1 1 88 88 ASN N N 88 125.347 125.347 123.490 1.857 25969 4495 1 7 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.500 -0.077 25969 4496 1 7 . 1 1 88 88 ASN C C 88 176.576 176.576 176.595 -0.019 25969 4497 1 7 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.753 -0.890 25969 4498 1 7 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.269 0.308 25969 4499 1 7 . 1 1 88 88 ASN H H 88 7.376 7.376 8.404 -1.028 25969 4500 1 7 . 1 1 89 89 GLU N N 89 114.953 114.953 119.387 -4.434 25969 4501 1 7 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.242 -0.846 25969 4502 1 7 . 1 1 89 89 GLU C C 89 176.684 176.684 176.842 -0.158 25969 4503 1 7 . 1 1 89 89 GLU CA C 89 58.540 58.540 59.208 -0.668 25969 4504 1 7 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.785 -0.915 25969 4505 1 7 . 1 1 89 89 GLU H H 89 7.586 7.586 8.427 -0.841 25969 4506 1 7 . 1 1 90 90 SER N N 90 117.110 117.110 113.478 3.632 25969 4507 1 7 . 1 1 90 90 SER HA H 90 4.442 4.442 4.352 0.090 25969 4508 1 7 . 1 1 90 90 SER C C 90 174.051 174.051 175.136 -1.085 25969 4509 1 7 . 1 1 90 90 SER CA C 90 58.895 58.895 57.972 0.923 25969 4510 1 7 . 1 1 90 90 SER CB C 90 63.886 63.886 63.303 0.583 25969 4511 1 7 . 1 1 90 90 SER H H 90 7.385 7.385 7.860 -0.475 25969 4512 1 7 . 1 1 91 91 LEU N N 91 116.559 116.559 118.810 -2.251 25969 4513 1 7 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.034 -0.337 25969 4514 1 7 . 1 1 91 91 LEU C C 91 175.825 175.825 175.394 0.431 25969 4515 1 7 . 1 1 91 91 LEU CA C 91 56.042 56.042 55.799 0.243 25969 4516 1 7 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.462 -1.757 25969 4517 1 7 . 1 1 91 91 LEU H H 91 8.704 8.704 7.601 1.103 25969 4518 1 7 . 1 1 92 92 THR N N 92 115.529 115.529 114.408 1.121 25969 4519 1 7 . 1 1 92 92 THR HA H 92 4.254 4.254 4.424 -0.170 25969 4520 1 7 . 1 1 92 92 THR C C 92 173.425 173.425 173.320 0.105 25969 4521 1 7 . 1 1 92 92 THR CA C 92 62.617 62.617 62.979 -0.362 25969 4522 1 7 . 1 1 92 92 THR CB C 92 69.096 69.096 69.380 -0.284 25969 4523 1 7 . 1 1 92 92 THR H H 92 7.704 7.704 7.634 0.070 25969 4524 1 7 . 1 1 93 93 ALA N N 93 130.459 130.459 131.040 -0.581 25969 4525 1 7 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.168 0.519 25969 4526 1 7 . 1 1 93 93 ALA C C 93 177.201 177.201 175.427 1.774 25969 4527 1 7 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.640 0.622 25969 4528 1 7 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.015 -0.204 25969 4529 1 7 . 1 1 93 93 ALA H H 93 9.002 9.002 8.533 0.469 25969 4530 1 7 . 1 1 94 94 VAL N N 94 117.872 117.872 120.690 -2.818 25969 4531 1 7 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.851 0.053 25969 4532 1 7 . 1 1 94 94 VAL C C 94 173.613 173.613 173.669 -0.056 25969 4533 1 7 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.759 -1.080 25969 4534 1 7 . 1 1 94 94 VAL CB C 94 36.036 36.036 35.986 0.050 25969 4535 1 7 . 1 1 94 94 VAL H H 94 8.833 8.833 8.293 0.540 25969 4536 1 7 . 1 1 95 95 VAL N N 95 121.842 121.842 128.371 -6.529 25969 4537 1 7 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.836 0.417 25969 4538 1 7 . 1 1 95 95 VAL C C 95 174.552 174.552 173.654 0.898 25969 4539 1 7 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.707 -0.765 25969 4540 1 7 . 1 1 95 95 VAL CB C 95 34.900 34.900 33.768 1.132 25969 4541 1 7 . 1 1 95 95 VAL H H 95 9.286 9.286 8.747 0.539 25969 4542 1 7 . 1 1 96 96 CYS N N 96 126.839 126.839 124.463 2.376 25969 4543 1 7 . 1 1 96 96 CYS HA H 96 5.423 5.423 5.039 0.384 25969 4544 1 7 . 1 1 96 96 CYS C C 96 174.135 174.135 175.553 -1.418 25969 4545 1 7 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.964 -3.695 25969 4546 1 7 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.908 15.547 25969 4547 1 7 . 1 1 96 96 CYS H H 96 9.452 9.452 9.052 0.400 25969 4548 1 7 . 1 1 97 97 GLY N N 97 109.718 109.718 108.871 0.847 25969 4549 1 7 . 1 1 97 97 GLY C C 97 172.639 172.639 173.281 -0.642 25969 4550 1 7 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.539 0.849 25969 4551 1 7 . 1 1 97 97 GLY H H 97 8.355 8.355 8.684 -0.329 25969 4552 1 7 . 1 1 98 98 LYS N N 98 114.844 114.844 119.616 -4.772 25969 4553 1 7 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.603 0.141 25969 4554 1 7 . 1 1 98 98 LYS C C 98 174.051 174.051 174.335 -0.284 25969 4555 1 7 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.448 -1.112 25969 4556 1 7 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.889 -0.361 25969 4557 1 7 . 1 1 98 98 LYS H H 98 7.632 7.632 7.893 -0.261 25969 4558 1 7 . 1 1 99 99 MET N N 99 124.801 124.801 127.291 -2.490 25969 4559 1 7 . 1 1 99 99 MET HA H 99 5.017 5.017 4.811 0.206 25969 4560 1 7 . 1 1 99 99 MET C C 99 176.337 176.337 174.669 1.668 25969 4561 1 7 . 1 1 99 99 MET CA C 99 54.803 54.803 54.924 -0.121 25969 4562 1 7 . 1 1 99 99 MET CB C 99 34.646 34.646 34.452 0.194 25969 4563 1 7 . 1 1 99 99 MET H H 99 8.759 8.759 8.823 -0.064 25969 4564 1 7 . 1 1 100 100 LYS N N 100 126.252 126.252 125.659 0.593 25969 4565 1 7 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.336 0.040 25969 4566 1 7 . 1 1 100 100 LYS C C 100 177.222 177.222 177.775 -0.553 25969 4567 1 7 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.758 -1.303 25969 4568 1 7 . 1 1 100 100 LYS CB C 100 32.429 32.429 32.917 -0.488 25969 4569 1 7 . 1 1 100 100 LYS H H 100 8.602 8.602 8.169 0.433 25969 4570 1 7 . 1 1 101 101 GLY N N 101 108.944 108.944 106.222 2.722 25969 4571 1 7 . 1 1 101 101 GLY C C 101 173.613 173.613 174.132 -0.519 25969 4572 1 7 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.562 0.023 25969 4573 1 7 . 1 1 101 101 GLY H H 101 8.385 8.385 7.600 0.785 25969 4574 1 7 . 1 1 102 102 LYS N N 102 118.594 118.594 119.729 -1.135 25969 4575 1 7 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.079 0.335 25969 4576 1 7 . 1 1 102 102 LYS C C 102 176.867 176.867 176.315 0.552 25969 4577 1 7 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.776 -1.905 25969 4578 1 7 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.479 1.544 25969 4579 1 7 . 1 1 102 102 LYS H H 102 8.436 8.436 8.242 0.194 25969 4580 1 7 . 1 1 103 103 GLY N N 103 110.581 110.581 108.656 1.925 25969 4581 1 7 . 1 1 103 103 GLY C C 103 171.631 171.631 172.714 -1.083 25969 4582 1 7 . 1 1 103 103 GLY CA C 103 45.920 45.920 43.914 2.006 25969 4583 1 7 . 1 1 103 103 GLY H H 103 8.443 8.443 8.243 0.200 25969 4584 1 7 . 1 1 104 104 SER N N 104 113.710 113.710 115.395 -1.685 25969 4585 1 7 . 1 1 104 104 SER HA H 104 4.697 4.697 4.831 -0.134 25969 4586 1 7 . 1 1 104 104 SER C C 104 174.680 174.680 174.116 0.564 25969 4587 1 7 . 1 1 104 104 SER CA C 104 57.331 57.331 57.021 0.310 25969 4588 1 7 . 1 1 104 104 SER CB C 104 66.178 66.178 66.793 -0.615 25969 4589 1 7 . 1 1 104 104 SER H H 104 8.535 8.535 8.156 0.379 25969 4590 1 7 . 1 1 105 105 CYS N N 105 118.835 118.835 121.127 -2.292 25969 4591 1 7 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.480 0.132 25969 4592 1 7 . 1 1 105 105 CYS C C 105 176.502 176.502 176.318 0.184 25969 4593 1 7 . 1 1 105 105 CYS CA C 105 57.136 57.136 59.042 -1.906 25969 4594 1 7 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.309 13.103 25969 4595 1 7 . 1 1 105 105 CYS H H 105 10.009 10.009 9.086 0.923 25969 4596 1 7 . 1 1 106 106 THR N N 106 107.957 107.957 115.081 -7.124 25969 4597 1 7 . 1 1 106 106 THR HA H 106 4.574 4.574 3.878 0.696 25969 4598 1 7 . 1 1 106 106 THR C C 106 175.178 175.178 174.001 1.177 25969 4599 1 7 . 1 1 106 106 THR CA C 106 61.014 61.014 64.283 -3.269 25969 4600 1 7 . 1 1 106 106 THR CB C 106 68.495 68.495 67.474 1.021 25969 4601 1 7 . 1 1 106 106 THR H H 106 8.030 8.030 8.771 -0.741 25969 4602 1 7 . 1 1 107 107 ASP N N 107 120.763 120.763 119.101 1.662 25969 4603 1 7 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.747 -0.427 25969 4604 1 7 . 1 1 107 107 ASP C C 107 177.264 177.264 175.038 2.226 25969 4605 1 7 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.708 0.296 25969 4606 1 7 . 1 1 107 107 ASP CB C 107 40.844 40.844 42.962 -2.118 25969 4607 1 7 . 1 1 107 107 ASP H H 107 7.531 7.531 7.850 -0.319 25969 4608 1 7 . 1 1 108 108 GLY N N 108 108.602 108.602 110.707 -2.105 25969 4609 1 7 . 1 1 108 108 GLY C C 108 174.698 174.698 173.152 1.546 25969 4610 1 7 . 1 1 108 108 GLY CA C 108 45.653 45.653 45.498 0.155 25969 4611 1 7 . 1 1 108 108 GLY H H 108 8.591 8.591 7.980 0.611 25969 4612 1 7 . 1 1 109 109 GLU N N 109 120.191 120.191 120.248 -0.057 25969 4613 1 7 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.263 0.189 25969 4614 1 7 . 1 1 109 109 GLU C C 109 176.472 176.472 176.009 0.463 25969 4615 1 7 . 1 1 109 109 GLU CA C 109 55.678 55.678 56.633 -0.955 25969 4616 1 7 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.395 0.489 25969 4617 1 7 . 1 1 109 109 GLU H H 109 8.292 8.292 7.773 0.519 25969 4618 1 7 . 1 1 110 110 GLU N N 110 116.857 116.857 120.359 -3.502 25969 4619 1 7 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.290 -0.074 25969 4620 1 7 . 1 1 110 110 GLU C C 110 176.381 176.381 174.662 1.719 25969 4621 1 7 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.559 0.577 25969 4622 1 7 . 1 1 110 110 GLU CB C 110 31.273 31.273 30.961 0.312 25969 4623 1 7 . 1 1 110 110 GLU H H 110 9.028 9.028 8.742 0.286 25969 4624 1 7 . 1 1 111 111 ILE N N 111 109.164 109.164 114.246 -5.082 25969 4625 1 7 . 1 1 111 111 ILE HA H 111 4.835 4.835 5.012 -0.177 25969 4626 1 7 . 1 1 111 111 ILE C C 111 176.868 176.868 174.367 2.501 25969 4627 1 7 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.372 -0.230 25969 4628 1 7 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.854 1.261 25969 4629 1 7 . 1 1 111 111 ILE H H 111 7.022 7.022 7.333 -0.311 25969 4630 1 7 . 1 1 112 112 PHE N N 112 118.509 118.509 123.075 -4.566 25969 4631 1 7 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.864 0.248 25969 4632 1 7 . 1 1 112 112 PHE C C 112 174.171 174.171 173.623 0.548 25969 4633 1 7 . 1 1 112 112 PHE CA C 112 57.791 57.791 56.165 1.626 25969 4634 1 7 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.455 3.404 25969 4635 1 7 . 1 1 112 112 PHE H H 112 8.605 8.605 8.221 0.384 25969 4636 1 7 . 1 1 113 113 ARG N N 113 119.908 119.908 122.391 -2.483 25969 4637 1 7 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.428 0.344 25969 4638 1 7 . 1 1 113 113 ARG C C 113 176.930 176.930 174.453 2.477 25969 4639 1 7 . 1 1 113 113 ARG CA C 113 55.404 55.404 54.958 0.446 25969 4640 1 7 . 1 1 113 113 ARG CB C 113 33.431 33.431 33.078 0.353 25969 4641 1 7 . 1 1 113 113 ARG H H 113 9.352 9.352 7.477 1.875 25969 4642 1 7 . 1 1 114 114 GLY N N 114 109.477 109.477 112.507 -3.030 25969 4643 1 7 . 1 1 114 114 GLY C C 114 173.738 173.738 172.756 0.982 25969 4644 1 7 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.056 -0.605 25969 4645 1 7 . 1 1 114 114 GLY H H 114 8.467 8.467 8.497 -0.030 25969 4646 1 7 . 1 1 115 115 ASN N N 115 119.193 119.193 121.398 -2.205 25969 4647 1 7 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.813 -0.079 25969 4648 1 7 . 1 1 115 115 ASN C C 115 173.530 173.530 172.640 0.890 25969 4649 1 7 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.431 0.302 25969 4650 1 7 . 1 1 115 115 ASN CB C 115 39.642 39.642 40.338 -0.696 25969 4651 1 7 . 1 1 115 115 ASN H H 115 8.523 8.523 8.342 0.181 25969 4652 1 7 . 1 1 116 116 ASP N N 116 120.602 120.602 122.212 -1.610 25969 4653 1 7 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.197 -0.114 25969 4654 1 7 . 1 1 116 116 ASP C C 116 174.030 174.030 174.254 -0.224 25969 4655 1 7 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.675 1.594 25969 4656 1 7 . 1 1 116 116 ASP CB C 116 43.983 43.983 43.565 0.418 25969 4657 1 7 . 1 1 116 116 ASP H H 116 8.098 8.098 8.305 -0.207 25969 4658 1 7 . 1 1 117 117 ALA N N 117 123.146 123.146 121.966 1.180 25969 4659 1 7 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.614 0.102 25969 4660 1 7 . 1 1 117 117 ALA C C 117 175.345 175.345 175.908 -0.563 25969 4661 1 7 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.461 0.001 25969 4662 1 7 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.737 1.408 25969 4663 1 7 . 1 1 117 117 ALA H H 117 8.979 8.979 8.378 0.601 25969 4664 1 7 . 1 1 118 118 GLU N N 118 115.917 115.917 116.017 -0.100 25969 4665 1 7 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.956 -0.061 25969 4666 1 7 . 1 1 118 118 GLU C C 118 177.181 177.181 174.800 2.381 25969 4667 1 7 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.059 -0.701 25969 4668 1 7 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.672 -0.920 25969 4669 1 7 . 1 1 118 118 GLU H H 118 8.829 8.829 8.825 0.004 25969 4670 1 7 . 1 1 119 119 CYS N N 119 119.476 119.476 116.567 2.909 25969 4671 1 7 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.429 0.041 25969 4672 1 7 . 1 1 119 119 CYS C C 119 174.738 174.738 174.592 0.146 25969 4673 1 7 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.055 -0.891 25969 4674 1 7 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.167 13.291 25969 4675 1 7 . 1 1 119 119 CYS H H 119 8.671 8.671 8.176 0.495 25969 4676 1 7 . 1 1 120 120 ARG N N 120 123.444 123.444 121.729 1.715 25969 4677 1 7 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.012 -0.087 25969 4678 1 7 . 1 1 120 120 ARG C C 120 172.028 172.028 173.170 -1.142 25969 4679 1 7 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.096 0.572 25969 4680 1 7 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.709 0.853 25969 4681 1 7 . 1 1 120 120 ARG H H 120 9.238 9.238 9.224 0.014 25969 4682 1 7 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.717 -0.171 25969 4683 1 7 . 1 1 121 121 PRO C C 121 176.138 176.138 175.461 0.677 25969 4684 1 7 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.119 0.901 25969 4685 1 7 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.967 0.195 25969 4686 1 7 . 1 1 122 122 PHE N N 122 124.392 124.392 125.330 -0.938 25969 4687 1 7 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.798 -0.092 25969 4688 1 7 . 1 1 122 122 PHE C C 122 175.032 175.032 174.248 0.784 25969 4689 1 7 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.300 1.108 25969 4690 1 7 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.859 -2.482 25969 4691 1 7 . 1 1 122 122 PHE H H 122 8.335 8.335 8.845 -0.510 25969 4692 1 7 . 1 1 123 123 THR N N 123 118.912 118.912 113.166 5.746 25969 4693 1 7 . 1 1 123 123 THR HA H 123 4.140 4.140 4.609 -0.469 25969 4694 1 7 . 1 1 123 123 THR C C 123 173.071 173.071 174.094 -1.023 25969 4695 1 7 . 1 1 123 123 THR CA C 123 60.948 60.948 59.803 1.145 25969 4696 1 7 . 1 1 123 123 THR CB C 123 69.430 69.430 69.811 -0.381 25969 4697 1 7 . 1 1 123 123 THR H H 123 8.146 8.146 7.938 0.208 25969 4698 1 8 . 1 1 7 7 ARG N N 7 122.494 122.494 122.729 -0.235 25969 4699 1 8 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.627 -0.277 25969 4700 1 8 . 1 1 7 7 ARG C C 7 177.037 177.037 175.480 1.557 25969 4701 1 8 . 1 1 7 7 ARG CA C 7 56.724 56.724 55.684 1.040 25969 4702 1 8 . 1 1 7 7 ARG CB C 7 30.881 30.881 29.891 0.990 25969 4703 1 8 . 1 1 7 7 ARG H H 7 8.649 8.649 8.367 0.282 25969 4704 1 8 . 1 1 8 8 SER N N 8 117.535 117.535 118.034 -0.499 25969 4705 1 8 . 1 1 8 8 SER HA H 8 4.384 4.384 4.469 -0.085 25969 4706 1 8 . 1 1 8 8 SER C C 8 174.613 174.613 173.578 1.035 25969 4707 1 8 . 1 1 8 8 SER CA C 8 59.412 59.412 57.967 1.445 25969 4708 1 8 . 1 1 8 8 SER CB C 8 63.686 63.686 63.322 0.364 25969 4709 1 8 . 1 1 8 8 SER H H 8 8.522 8.522 7.929 0.593 25969 4710 1 8 . 1 1 9 9 ALA N N 9 126.336 126.336 127.707 -1.371 25969 4711 1 8 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.464 0.001 25969 4712 1 8 . 1 1 9 9 ALA C C 9 178.349 178.349 178.670 -0.321 25969 4713 1 8 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.335 0.732 25969 4714 1 8 . 1 1 9 9 ALA CB C 9 18.914 18.914 19.956 -1.042 25969 4715 1 8 . 1 1 9 9 ALA H H 9 8.415 8.415 7.612 0.803 25969 4716 1 8 . 1 1 10 10 ASN N N 10 121.438 121.438 118.726 2.712 25969 4717 1 8 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.733 -0.047 25969 4718 1 8 . 1 1 10 10 ASN C C 10 175.571 175.571 175.682 -0.111 25969 4719 1 8 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.517 -0.270 25969 4720 1 8 . 1 1 10 10 ASN CB C 10 39.125 39.125 36.401 2.724 25969 4721 1 8 . 1 1 10 10 ASN H H 10 9.263 9.263 9.252 0.011 25969 4722 1 8 . 1 1 11 11 LEU N N 11 125.021 125.021 120.882 4.139 25969 4723 1 8 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.929 0.692 25969 4724 1 8 . 1 1 11 11 LEU C C 11 178.567 178.567 177.691 0.876 25969 4725 1 8 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.368 1.518 25969 4726 1 8 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.003 1.257 25969 4727 1 8 . 1 1 11 11 LEU H H 11 8.560 8.560 8.078 0.482 25969 4728 1 8 . 1 1 12 12 ARG N N 12 117.977 117.977 118.210 -0.233 25969 4729 1 8 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.157 -0.023 25969 4730 1 8 . 1 1 12 12 ARG C C 12 179.350 179.350 178.407 0.943 25969 4731 1 8 . 1 1 12 12 ARG CA C 12 60.347 60.347 57.882 2.465 25969 4732 1 8 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.705 0.986 25969 4733 1 8 . 1 1 12 12 ARG H H 12 8.114 8.114 8.236 -0.122 25969 4734 1 8 . 1 1 13 13 ALA N N 13 123.280 123.280 121.487 1.793 25969 4735 1 8 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.276 -0.063 25969 4736 1 8 . 1 1 13 13 ALA C C 13 180.957 180.957 179.284 1.673 25969 4737 1 8 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.393 0.009 25969 4738 1 8 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.301 -0.432 25969 4739 1 8 . 1 1 13 13 ALA H H 13 7.871 7.871 7.866 0.005 25969 4740 1 8 . 1 1 14 14 ALA N N 14 122.111 122.111 121.203 0.908 25969 4741 1 8 . 1 1 14 14 ALA HA H 14 3.705 3.705 4.048 -0.343 25969 4742 1 8 . 1 1 14 14 ALA C C 14 178.578 178.578 179.197 -0.619 25969 4743 1 8 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.607 0.797 25969 4744 1 8 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.890 -0.630 25969 4745 1 8 . 1 1 14 14 ALA H H 14 7.930 7.930 7.273 0.657 25969 4746 1 8 . 1 1 15 15 HIS N N 15 118.502 118.502 118.347 0.155 25969 4747 1 8 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.205 -0.429 25969 4748 1 8 . 1 1 15 15 HIS C C 15 176.304 176.304 176.885 -0.581 25969 4749 1 8 . 1 1 15 15 HIS CA C 15 60.031 60.031 59.787 0.244 25969 4750 1 8 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.669 1.701 25969 4751 1 8 . 1 1 15 15 HIS H H 15 8.422 8.422 8.794 -0.372 25969 4752 1 8 . 1 1 16 16 ALA N N 16 120.116 120.116 119.992 0.124 25969 4753 1 8 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.323 -0.469 25969 4754 1 8 . 1 1 16 16 ALA C C 16 180.644 180.644 178.824 1.820 25969 4755 1 8 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.905 1.566 25969 4756 1 8 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.716 -0.914 25969 4757 1 8 . 1 1 16 16 ALA H H 16 7.980 7.980 7.721 0.259 25969 4758 1 8 . 1 1 17 17 ALA N N 17 121.281 121.281 122.428 -1.147 25969 4759 1 8 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.079 0.097 25969 4760 1 8 . 1 1 17 17 ALA C C 17 180.122 180.122 179.308 0.814 25969 4761 1 8 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.794 -0.325 25969 4762 1 8 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.424 1.716 25969 4763 1 8 . 1 1 17 17 ALA H H 17 7.465 7.465 7.195 0.270 25969 4764 1 8 . 1 1 18 18 LEU N N 18 120.262 120.262 118.287 1.975 25969 4765 1 8 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.032 -0.225 25969 4766 1 8 . 1 1 18 18 LEU C C 18 178.766 178.766 179.355 -0.589 25969 4767 1 8 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.354 1.390 25969 4768 1 8 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.850 0.861 25969 4769 1 8 . 1 1 18 18 LEU H H 18 8.468 8.468 8.424 0.044 25969 4770 1 8 . 1 1 19 19 LEU N N 19 119.078 119.078 121.279 -2.201 25969 4771 1 8 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.154 -0.292 25969 4772 1 8 . 1 1 19 19 LEU C C 19 179.517 179.517 178.401 1.116 25969 4773 1 8 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.547 -0.538 25969 4774 1 8 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.072 0.374 25969 4775 1 8 . 1 1 19 19 LEU H H 19 8.029 8.029 7.504 0.525 25969 4776 1 8 . 1 1 20 20 GLU N N 20 121.499 121.499 119.682 1.817 25969 4777 1 8 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.003 0.024 25969 4778 1 8 . 1 1 20 20 GLU C C 20 180.289 180.289 178.884 1.405 25969 4779 1 8 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.664 0.215 25969 4780 1 8 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.406 -0.116 25969 4781 1 8 . 1 1 20 20 GLU H H 20 7.895 7.895 8.664 -0.769 25969 4782 1 8 . 1 1 21 21 ASN N N 21 119.066 119.066 117.379 1.687 25969 4783 1 8 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.711 -0.173 25969 4784 1 8 . 1 1 21 21 ASN C C 21 177.368 177.368 177.288 0.080 25969 4785 1 8 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.717 0.155 25969 4786 1 8 . 1 1 21 21 ASN CB C 21 40.444 40.444 39.021 1.423 25969 4787 1 8 . 1 1 21 21 ASN H H 21 8.373 8.373 8.394 -0.021 25969 4788 1 8 . 1 1 22 22 ALA N N 22 125.274 125.274 124.309 0.965 25969 4789 1 8 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.017 -0.244 25969 4790 1 8 . 1 1 22 22 ALA C C 22 179.402 179.402 179.890 -0.488 25969 4791 1 8 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.289 0.182 25969 4792 1 8 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.611 -0.392 25969 4793 1 8 . 1 1 22 22 ALA H H 22 8.886 8.886 8.477 0.409 25969 4794 1 8 . 1 1 23 23 ARG N N 23 119.945 119.945 117.026 2.919 25969 4795 1 8 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.145 0.052 25969 4796 1 8 . 1 1 23 23 ARG C C 23 179.726 179.726 178.243 1.483 25969 4797 1 8 . 1 1 23 23 ARG CA C 23 59.812 59.812 59.145 0.667 25969 4798 1 8 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.838 -0.147 25969 4799 1 8 . 1 1 23 23 ARG H H 23 8.168 8.168 8.289 -0.121 25969 4800 1 8 . 1 1 24 24 PHE N N 24 121.222 121.222 120.560 0.662 25969 4801 1 8 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.477 -0.110 25969 4802 1 8 . 1 1 24 24 PHE C C 24 177.410 177.410 177.894 -0.484 25969 4803 1 8 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.683 -0.335 25969 4804 1 8 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.046 -1.140 25969 4805 1 8 . 1 1 24 24 PHE H H 24 7.658 7.658 7.676 -0.018 25969 4806 1 8 . 1 1 25 25 MET N N 25 120.355 120.355 119.153 1.202 25969 4807 1 8 . 1 1 25 25 MET HA H 25 4.300 4.300 4.499 -0.199 25969 4808 1 8 . 1 1 25 25 MET C C 25 179.371 179.371 178.287 1.084 25969 4809 1 8 . 1 1 25 25 MET CA C 25 55.939 55.939 57.120 -1.181 25969 4810 1 8 . 1 1 25 25 MET CB C 25 29.424 29.424 31.390 -1.966 25969 4811 1 8 . 1 1 25 25 MET H H 25 8.358 8.358 9.069 -0.711 25969 4812 1 8 . 1 1 26 26 GLU N N 26 120.164 120.164 119.296 0.868 25969 4813 1 8 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.290 0.048 25969 4814 1 8 . 1 1 26 26 GLU C C 26 179.934 179.934 179.774 0.160 25969 4815 1 8 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.499 0.554 25969 4816 1 8 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.517 -0.033 25969 4817 1 8 . 1 1 26 26 GLU H H 26 8.441 8.441 8.458 -0.017 25969 4818 1 8 . 1 1 27 27 GLN N N 27 121.309 121.309 119.313 1.996 25969 4819 1 8 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.173 -0.041 25969 4820 1 8 . 1 1 27 27 GLN C C 27 178.307 178.307 178.133 0.174 25969 4821 1 8 . 1 1 27 27 GLN CA C 27 58.610 58.610 58.486 0.124 25969 4822 1 8 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.926 -0.838 25969 4823 1 8 . 1 1 27 27 GLN H H 27 8.001 8.001 8.195 -0.194 25969 4824 1 8 . 1 1 28 28 PHE N N 28 124.569 124.569 121.738 2.831 25969 4825 1 8 . 1 1 28 28 PHE HA H 28 3.814 3.814 3.941 -0.127 25969 4826 1 8 . 1 1 28 28 PHE C C 28 177.717 177.717 177.348 0.369 25969 4827 1 8 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.582 0.610 25969 4828 1 8 . 1 1 28 28 PHE CB C 28 39.343 39.343 38.992 0.351 25969 4829 1 8 . 1 1 28 28 PHE H H 28 8.760 8.760 8.611 0.149 25969 4830 1 8 . 1 1 29 29 TYR N N 29 121.726 121.726 119.207 2.519 25969 4831 1 8 . 1 1 29 29 TYR HA H 29 3.795 3.795 3.968 -0.173 25969 4832 1 8 . 1 1 29 29 TYR C C 29 179.079 179.079 177.082 1.997 25969 4833 1 8 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.474 -0.526 25969 4834 1 8 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.402 0.305 25969 4835 1 8 . 1 1 29 29 TYR H H 29 8.956 8.956 8.178 0.778 25969 4836 1 8 . 1 1 30 30 ALA N N 30 121.142 121.142 120.011 1.131 25969 4837 1 8 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.140 -0.092 25969 4838 1 8 . 1 1 30 30 ALA C C 30 174.781 174.781 178.483 -3.702 25969 4839 1 8 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.289 0.581 25969 4840 1 8 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.434 -0.565 25969 4841 1 8 . 1 1 30 30 ALA H H 30 8.063 8.063 7.704 0.359 25969 4842 1 8 . 1 1 31 31 LYS N N 31 114.745 114.745 115.111 -0.366 25969 4843 1 8 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.210 -0.022 25969 4844 1 8 . 1 1 31 31 LYS C C 31 177.744 177.744 176.992 0.752 25969 4845 1 8 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.400 0.008 25969 4846 1 8 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.416 -0.241 25969 4847 1 8 . 1 1 31 31 LYS H H 31 7.172 7.172 7.846 -0.674 25969 4848 1 8 . 1 1 32 32 LYS N N 32 117.388 117.388 117.207 0.181 25969 4849 1 8 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.213 -0.100 25969 4850 1 8 . 1 1 32 32 LYS C C 32 177.747 177.747 176.339 1.408 25969 4851 1 8 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.079 -0.274 25969 4852 1 8 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.593 -0.695 25969 4853 1 8 . 1 1 32 32 LYS H H 32 8.154 8.154 7.739 0.415 25969 4854 1 8 . 1 1 33 33 GLY N N 33 109.017 109.017 105.922 3.095 25969 4855 1 8 . 1 1 33 33 GLY C C 33 171.798 171.798 172.991 -1.193 25969 4856 1 8 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.688 -0.037 25969 4857 1 8 . 1 1 33 33 GLY H H 33 8.945 8.945 8.150 0.795 25969 4858 1 8 . 1 1 34 34 SER N N 34 110.165 110.165 113.543 -3.378 25969 4859 1 8 . 1 1 34 34 SER HA H 34 4.136 4.136 5.075 -0.939 25969 4860 1 8 . 1 1 34 34 SER C C 34 172.862 172.862 173.508 -0.646 25969 4861 1 8 . 1 1 34 34 SER CA C 34 56.673 56.673 57.958 -1.285 25969 4862 1 8 . 1 1 34 34 SER CB C 34 64.621 64.621 65.938 -1.317 25969 4863 1 8 . 1 1 34 34 SER H H 34 6.756 6.756 7.419 -0.663 25969 4864 1 8 . 1 1 35 35 PHE N N 35 121.132 121.132 120.340 0.792 25969 4865 1 8 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.841 0.273 25969 4866 1 8 . 1 1 35 35 PHE C C 35 172.888 172.888 175.272 -2.384 25969 4867 1 8 . 1 1 35 35 PHE CA C 35 59.260 59.260 59.900 -0.640 25969 4868 1 8 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.193 0.295 25969 4869 1 8 . 1 1 35 35 PHE H H 35 9.403 9.403 8.761 0.642 25969 4870 1 8 . 1 1 36 36 LYS N N 36 114.841 114.841 120.829 -5.988 25969 4871 1 8 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.382 0.002 25969 4872 1 8 . 1 1 36 36 LYS C C 36 177.118 177.118 176.889 0.229 25969 4873 1 8 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.795 -0.523 25969 4874 1 8 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.393 -0.296 25969 4875 1 8 . 1 1 36 36 LYS H H 36 8.536 8.536 8.015 0.521 25969 4876 1 8 . 1 1 37 37 LEU N N 37 124.789 124.789 121.785 3.004 25969 4877 1 8 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.701 -0.251 25969 4878 1 8 . 1 1 37 37 LEU C C 37 177.535 177.535 177.324 0.211 25969 4879 1 8 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.827 1.915 25969 4880 1 8 . 1 1 37 37 LEU CB C 37 44.251 44.251 41.967 2.284 25969 4881 1 8 . 1 1 37 37 LEU H H 37 8.503 8.503 8.391 0.112 25969 4882 1 8 . 1 1 38 38 THR N N 38 108.556 108.556 111.647 -3.091 25969 4883 1 8 . 1 1 38 38 THR HA H 38 4.619 4.619 4.514 0.105 25969 4884 1 8 . 1 1 38 38 THR C C 38 173.947 173.947 172.819 1.128 25969 4885 1 8 . 1 1 38 38 THR CA C 38 58.944 58.944 59.599 -0.654 25969 4886 1 8 . 1 1 38 38 THR CB C 38 71.818 71.818 70.246 1.572 25969 4887 1 8 . 1 1 38 38 THR H H 38 8.189 8.189 7.574 0.615 25969 4888 1 8 . 1 1 39 39 SER N N 39 110.757 110.757 119.222 -8.465 25969 4889 1 8 . 1 1 39 39 SER HA H 39 4.057 4.057 4.339 -0.282 25969 4890 1 8 . 1 1 39 39 SER C C 39 174.904 174.904 174.654 0.250 25969 4891 1 8 . 1 1 39 39 SER CA C 39 60.938 60.938 60.118 0.820 25969 4892 1 8 . 1 1 39 39 SER CB C 39 63.218 63.218 63.168 0.050 25969 4893 1 8 . 1 1 39 39 SER H H 39 8.590 8.590 8.578 0.012 25969 4894 1 8 . 1 1 40 40 THR N N 40 129.807 129.807 112.805 17.002 25969 4895 1 8 . 1 1 40 40 THR HA H 40 4.453 4.453 3.784 0.669 25969 4896 1 8 . 1 1 40 40 THR C C 40 174.928 174.928 173.084 1.844 25969 4897 1 8 . 1 1 40 40 THR CA C 40 60.351 60.351 62.855 -2.504 25969 4898 1 8 . 1 1 40 40 THR CB C 40 69.910 69.910 68.190 1.720 25969 4899 1 8 . 1 1 40 40 THR H H 40 7.570 7.570 8.401 -0.831 25969 4900 1 8 . 1 1 41 41 LYS N N 41 125.614 125.614 119.470 6.144 25969 4901 1 8 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.583 0.129 25969 4902 1 8 . 1 1 41 41 LYS C C 41 174.907 174.907 174.348 0.559 25969 4903 1 8 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.742 0.996 25969 4904 1 8 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.755 1.287 25969 4905 1 8 . 1 1 41 41 LYS H H 41 7.425 7.425 7.758 -0.333 25969 4906 1 8 . 1 1 42 42 TRP N N 42 124.827 124.827 122.880 1.947 25969 4907 1 8 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.120 -0.018 25969 4908 1 8 . 1 1 42 42 TRP C C 42 173.384 173.384 174.696 -1.312 25969 4909 1 8 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.888 1.514 25969 4910 1 8 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.681 0.210 25969 4911 1 8 . 1 1 42 42 TRP H H 42 8.590 8.590 8.662 -0.072 25969 4912 1 8 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.503 -0.056 25969 4913 1 8 . 1 1 43 43 PRO C C 43 174.990 174.990 176.140 -1.150 25969 4914 1 8 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.893 -0.342 25969 4915 1 8 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.391 -0.296 25969 4916 1 8 . 1 1 44 44 GLU N N 44 120.080 120.080 122.824 -2.744 25969 4917 1 8 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.171 -0.206 25969 4918 1 8 . 1 1 44 44 GLU C C 44 175.699 175.699 176.410 -0.711 25969 4919 1 8 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.168 0.038 25969 4920 1 8 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.443 -0.861 25969 4921 1 8 . 1 1 44 44 GLU H H 44 8.134 8.134 8.500 -0.366 25969 4922 1 8 . 1 1 45 45 LEU N N 45 125.972 125.972 124.039 1.933 25969 4923 1 8 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.715 -0.752 25969 4924 1 8 . 1 1 45 45 LEU C C 45 176.242 176.242 175.487 0.755 25969 4925 1 8 . 1 1 45 45 LEU CA C 45 51.731 51.731 51.203 0.527 25969 4926 1 8 . 1 1 45 45 LEU CB C 45 41.312 41.312 40.551 0.761 25969 4927 1 8 . 1 1 45 45 LEU H H 45 8.363 8.363 8.233 0.130 25969 4928 1 8 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.111 0.063 25969 4929 1 8 . 1 1 46 46 PRO C C 46 177.702 177.702 176.115 1.587 25969 4930 1 8 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.496 0.324 25969 4931 1 8 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.825 -0.264 25969 4932 1 8 . 1 1 47 47 VAL N N 47 119.474 119.474 119.137 0.337 25969 4933 1 8 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.912 0.323 25969 4934 1 8 . 1 1 47 47 VAL C C 47 175.178 175.178 175.528 -0.350 25969 4935 1 8 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.662 -0.646 25969 4936 1 8 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.275 -0.127 25969 4937 1 8 . 1 1 47 47 VAL H H 47 7.836 7.836 8.133 -0.297 25969 4938 1 8 . 1 1 48 48 LYS N N 48 124.385 124.385 123.676 0.709 25969 4939 1 8 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.565 -0.256 25969 4940 1 8 . 1 1 48 48 LYS C C 48 176.534 176.534 175.520 1.014 25969 4941 1 8 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.302 0.839 25969 4942 1 8 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.639 0.193 25969 4943 1 8 . 1 1 48 48 LYS H H 48 8.638 8.638 8.237 0.401 25969 4944 1 8 . 1 1 49 49 GLU N N 49 118.262 118.262 118.302 -0.040 25969 4945 1 8 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.555 0.676 25969 4946 1 8 . 1 1 49 49 GLU C C 49 174.552 174.552 174.403 0.149 25969 4947 1 8 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.801 -0.530 25969 4948 1 8 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.746 1.551 25969 4949 1 8 . 1 1 49 49 GLU H H 49 7.473 7.473 7.739 -0.266 25969 4950 1 8 . 1 1 50 50 ALA N N 50 124.186 124.186 127.859 -3.673 25969 4951 1 8 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.629 -0.178 25969 4952 1 8 . 1 1 50 50 ALA C C 50 177.890 177.890 177.497 0.393 25969 4953 1 8 . 1 1 50 50 ALA CA C 50 53.133 53.133 51.410 1.723 25969 4954 1 8 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.252 3.361 25969 4955 1 8 . 1 1 50 50 ALA H H 50 8.902 8.902 8.803 0.099 25969 4956 1 8 . 1 1 51 51 GLY N N 51 109.041 109.041 105.106 3.935 25969 4957 1 8 . 1 1 51 51 GLY C C 51 173.759 173.759 174.837 -1.078 25969 4958 1 8 . 1 1 51 51 GLY CA C 51 47.657 47.657 46.414 1.242 25969 4959 1 8 . 1 1 51 51 GLY H H 51 9.113 9.113 8.671 0.442 25969 4960 1 8 . 1 1 52 52 GLY N N 52 104.272 104.272 105.195 -0.923 25969 4961 1 8 . 1 1 52 52 GLY C C 52 174.156 174.156 172.932 1.224 25969 4962 1 8 . 1 1 52 52 GLY CA C 52 45.520 45.520 45.214 0.306 25969 4963 1 8 . 1 1 52 52 GLY H H 52 8.873 8.873 8.244 0.629 25969 4964 1 8 . 1 1 53 53 PHE N N 53 120.324 120.324 119.623 0.701 25969 4965 1 8 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.291 -0.134 25969 4966 1 8 . 1 1 53 53 PHE C C 53 175.574 175.574 174.183 1.391 25969 4967 1 8 . 1 1 53 53 PHE CA C 53 56.940 56.940 55.547 1.393 25969 4968 1 8 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.094 -1.715 25969 4969 1 8 . 1 1 53 53 PHE H H 53 8.278 8.278 7.581 0.697 25969 4970 1 8 . 1 1 54 54 CYS N N 54 116.465 116.465 120.512 -4.047 25969 4971 1 8 . 1 1 54 54 CYS HA H 54 5.660 5.660 4.760 0.900 25969 4972 1 8 . 1 1 54 54 CYS C C 54 173.092 173.092 172.941 0.151 25969 4973 1 8 . 1 1 54 54 CYS CA C 54 54.997 54.997 58.638 -3.641 25969 4974 1 8 . 1 1 54 54 CYS CB C 54 44.496 44.496 28.724 15.773 25969 4975 1 8 . 1 1 54 54 CYS H H 54 9.911 9.911 9.099 0.812 25969 4976 1 8 . 1 1 55 55 ILE N N 55 119.910 119.910 125.592 -5.682 25969 4977 1 8 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.292 0.019 25969 4978 1 8 . 1 1 55 55 ILE C C 55 175.366 175.366 175.557 -0.191 25969 4979 1 8 . 1 1 55 55 ILE CA C 55 60.480 60.480 59.835 0.645 25969 4980 1 8 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.373 -0.674 25969 4981 1 8 . 1 1 55 55 ILE H H 55 7.971 7.971 8.645 -0.674 25969 4982 1 8 . 1 1 56 56 ARG N N 56 122.445 122.445 120.690 1.755 25969 4983 1 8 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.715 -0.094 25969 4984 1 8 . 1 1 56 56 ARG C C 56 174.948 174.948 174.092 0.856 25969 4985 1 8 . 1 1 56 56 ARG CA C 56 53.467 53.467 53.854 -0.387 25969 4986 1 8 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.226 1.184 25969 4987 1 8 . 1 1 56 56 ARG H H 56 8.927 8.927 8.349 0.578 25969 4988 1 8 . 1 1 57 57 MET N N 57 119.875 119.875 119.437 0.438 25969 4989 1 8 . 1 1 57 57 MET HA H 57 4.574 4.574 4.504 0.070 25969 4990 1 8 . 1 1 57 57 MET C C 57 175.845 175.845 176.135 -0.290 25969 4991 1 8 . 1 1 57 57 MET CA C 57 55.204 55.204 55.331 -0.127 25969 4992 1 8 . 1 1 57 57 MET CB C 57 32.162 32.162 34.195 -2.033 25969 4993 1 8 . 1 1 57 57 MET H H 57 9.022 9.022 8.664 0.358 25969 4994 1 8 . 1 1 58 58 SER N N 58 114.338 114.338 117.356 -3.018 25969 4995 1 8 . 1 1 58 58 SER HA H 58 5.138 5.138 4.392 0.746 25969 4996 1 8 . 1 1 58 58 SER C C 58 175.866 175.866 175.089 0.777 25969 4997 1 8 . 1 1 58 58 SER CA C 58 56.084 56.084 59.451 -3.367 25969 4998 1 8 . 1 1 58 58 SER CB C 58 63.977 63.977 64.065 -0.088 25969 4999 1 8 . 1 1 58 58 SER H H 58 8.559 8.559 8.620 -0.061 25969 5000 1 8 . 1 1 59 59 GLY N N 59 116.880 116.880 108.014 8.866 25969 5001 1 8 . 1 1 59 59 GLY C C 59 172.257 172.257 173.768 -1.511 25969 5002 1 8 . 1 1 59 59 GLY CA C 59 43.702 43.702 44.959 -1.257 25969 5003 1 8 . 1 1 59 59 GLY H H 59 8.919 8.919 8.114 0.805 25969 5004 1 8 . 1 1 60 60 GLN N N 60 121.745 121.745 118.988 2.757 25969 5005 1 8 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.477 -0.086 25969 5006 1 8 . 1 1 60 60 GLN C C 60 177.222 177.222 176.938 0.284 25969 5007 1 8 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.353 -0.348 25969 5008 1 8 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.205 -0.363 25969 5009 1 8 . 1 1 60 60 GLN H H 60 8.575 8.575 8.342 0.233 25969 5010 1 8 . 1 1 61 61 ALA N N 61 128.305 128.305 125.796 2.509 25969 5011 1 8 . 1 1 61 61 ALA HA H 61 3.399 3.399 4.031 -0.632 25969 5012 1 8 . 1 1 61 61 ALA C C 61 178.704 178.704 179.450 -0.746 25969 5013 1 8 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.867 0.422 25969 5014 1 8 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.784 -1.852 25969 5015 1 8 . 1 1 61 61 ALA H H 61 8.576 8.576 8.515 0.061 25969 5016 1 8 . 1 1 62 62 LYS N N 62 114.337 114.337 118.266 -3.929 25969 5017 1 8 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.255 -0.079 25969 5018 1 8 . 1 1 62 62 LYS C C 62 177.327 177.327 177.415 -0.088 25969 5019 1 8 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.520 0.556 25969 5020 1 8 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.517 -0.222 25969 5021 1 8 . 1 1 62 62 LYS H H 62 8.272 8.272 8.067 0.205 25969 5022 1 8 . 1 1 63 63 GLY N N 63 107.059 107.059 109.412 -2.353 25969 5023 1 8 . 1 1 63 63 GLY C C 63 173.759 173.759 172.866 0.893 25969 5024 1 8 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.351 0.434 25969 5025 1 8 . 1 1 63 63 GLY H H 63 7.813 7.813 8.223 -0.410 25969 5026 1 8 . 1 1 64 64 ILE N N 64 122.496 122.496 121.485 1.011 25969 5027 1 8 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.398 0.058 25969 5028 1 8 . 1 1 64 64 ILE C C 64 176.033 176.033 176.031 0.002 25969 5029 1 8 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.694 0.849 25969 5030 1 8 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.302 -2.330 25969 5031 1 8 . 1 1 64 64 ILE H H 64 7.256 7.256 7.261 -0.005 25969 5032 1 8 . 1 1 65 65 LEU N N 65 128.858 128.858 121.998 6.860 25969 5033 1 8 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.168 0.085 25969 5034 1 8 . 1 1 65 65 LEU C C 65 178.203 178.203 176.045 2.158 25969 5035 1 8 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.159 -0.621 25969 5036 1 8 . 1 1 65 65 LEU CB C 65 42.536 42.536 42.108 0.428 25969 5037 1 8 . 1 1 65 65 LEU H H 65 8.417 8.417 8.411 0.006 25969 5038 1 8 . 1 1 66 66 GLU N N 66 119.109 119.109 123.462 -4.353 25969 5039 1 8 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.554 -0.313 25969 5040 1 8 . 1 1 66 66 GLU C C 66 177.436 177.436 176.557 0.879 25969 5041 1 8 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.140 1.118 25969 5042 1 8 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.530 -2.431 25969 5043 1 8 . 1 1 66 66 GLU H H 66 8.590 8.590 8.404 0.186 25969 5044 1 8 . 1 1 67 67 GLY N N 67 108.490 108.490 112.336 -3.846 25969 5045 1 8 . 1 1 67 67 GLY C C 67 173.551 173.551 173.902 -0.351 25969 5046 1 8 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.981 0.140 25969 5047 1 8 . 1 1 67 67 GLY H H 67 9.498 9.498 8.949 0.549 25969 5048 1 8 . 1 1 68 68 LYS N N 68 117.773 117.773 118.678 -0.905 25969 5049 1 8 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.159 0.637 25969 5050 1 8 . 1 1 68 68 LYS C C 68 175.637 175.637 174.687 0.950 25969 5051 1 8 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.449 -0.180 25969 5052 1 8 . 1 1 68 68 LYS CB C 68 35.702 35.702 34.433 1.269 25969 5053 1 8 . 1 1 68 68 LYS H H 68 7.604 7.604 7.998 -0.394 25969 5054 1 8 . 1 1 69 69 PHE N N 69 114.518 114.518 121.088 -6.570 25969 5055 1 8 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.554 -0.082 25969 5056 1 8 . 1 1 69 69 PHE C C 69 172.591 172.591 174.192 -1.601 25969 5057 1 8 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.679 3.399 25969 5058 1 8 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.659 0.718 25969 5059 1 8 . 1 1 69 69 PHE H H 69 8.439 8.439 7.952 0.487 25969 5060 1 8 . 1 1 70 70 THR N N 70 115.260 115.260 117.410 -2.150 25969 5061 1 8 . 1 1 70 70 THR HA H 70 4.602 4.602 4.740 -0.138 25969 5062 1 8 . 1 1 70 70 THR C C 70 172.508 172.508 172.595 -0.087 25969 5063 1 8 . 1 1 70 70 THR CA C 70 62.484 62.484 61.638 0.847 25969 5064 1 8 . 1 1 70 70 THR CB C 70 71.367 71.367 71.931 -0.564 25969 5065 1 8 . 1 1 70 70 THR H H 70 8.474 8.474 8.446 0.028 25969 5066 1 8 . 1 1 71 71 LEU N N 71 128.144 128.144 122.088 6.056 25969 5067 1 8 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.673 -0.165 25969 5068 1 8 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.346 0.589 25969 5069 1 8 . 1 1 71 71 LEU CB C 71 46.855 46.855 46.067 0.788 25969 5070 1 8 . 1 1 71 71 LEU H H 71 9.284 9.284 7.992 1.292 25969 5071 1 8 . 1 1 72 72 LYS N N 72 122.603 122.603 120.503 2.100 25969 5072 1 8 . 1 1 72 72 LYS HA H 72 5.388 5.388 4.993 0.395 25969 5073 1 8 . 1 1 72 72 LYS C C 72 171.972 171.972 174.263 -2.291 25969 5074 1 8 . 1 1 72 72 LYS CA C 72 54.402 54.402 53.773 0.629 25969 5075 1 8 . 1 1 72 72 LYS CB C 72 38.592 38.592 36.170 2.422 25969 5076 1 8 . 1 1 72 72 LYS H H 72 9.123 9.123 7.765 1.358 25969 5077 1 8 . 1 1 73 73 ALA N N 73 128.927 128.927 127.376 1.551 25969 5078 1 8 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.451 0.400 25969 5079 1 8 . 1 1 73 73 ALA C C 73 175.324 175.324 175.475 -0.151 25969 5080 1 8 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.712 -0.586 25969 5081 1 8 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.712 -1.236 25969 5082 1 8 . 1 1 73 73 ALA H H 73 9.178 9.178 8.897 0.281 25969 5083 1 8 . 1 1 74 74 VAL N N 74 123.425 123.425 121.020 2.405 25969 5084 1 8 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.089 0.050 25969 5085 1 8 . 1 1 74 74 VAL C C 74 173.425 173.425 174.889 -1.464 25969 5086 1 8 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.408 0.442 25969 5087 1 8 . 1 1 74 74 VAL CB C 74 35.768 35.768 35.638 0.130 25969 5088 1 8 . 1 1 74 74 VAL H H 74 8.727 8.727 8.973 -0.246 25969 5089 1 8 . 1 1 75 75 ALA N N 75 130.762 130.762 129.313 1.449 25969 5090 1 8 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.290 0.368 25969 5091 1 8 . 1 1 75 75 ALA C C 75 177.327 177.327 178.619 -1.292 25969 5092 1 8 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.207 0.993 25969 5093 1 8 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.831 0.775 25969 5094 1 8 . 1 1 75 75 ALA H H 75 9.164 9.164 7.405 1.759 25969 5095 1 8 . 1 1 76 76 LEU N N 76 119.175 119.175 122.618 -3.443 25969 5096 1 8 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.070 -0.276 25969 5097 1 8 . 1 1 76 76 LEU C C 76 178.036 178.036 177.970 0.066 25969 5098 1 8 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.053 1.223 25969 5099 1 8 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.175 -0.329 25969 5100 1 8 . 1 1 76 76 LEU H H 76 8.269 8.269 8.615 -0.346 25969 5101 1 8 . 1 1 77 77 ASP N N 77 115.777 115.777 115.245 0.532 25969 5102 1 8 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.798 -0.002 25969 5103 1 8 . 1 1 77 77 ASP C C 77 176.012 176.012 176.712 -0.700 25969 5104 1 8 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.913 -2.182 25969 5105 1 8 . 1 1 77 77 ASP CB C 77 40.176 40.176 39.858 0.318 25969 5106 1 8 . 1 1 77 77 ASP H H 77 7.715 7.715 8.289 -0.574 25969 5107 1 8 . 1 1 78 78 ARG N N 78 122.846 122.846 119.504 3.342 25969 5108 1 8 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.077 0.006 25969 5109 1 8 . 1 1 78 78 ARG C C 78 177.869 177.869 176.899 0.970 25969 5110 1 8 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.385 -0.977 25969 5111 1 8 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.245 0.379 25969 5112 1 8 . 1 1 78 78 ARG H H 78 8.408 8.408 7.283 1.125 25969 5113 1 8 . 1 1 79 79 GLU N N 79 118.091 118.091 118.842 -0.751 25969 5114 1 8 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.045 -0.026 25969 5115 1 8 . 1 1 79 79 GLU C C 79 177.930 177.930 177.121 0.809 25969 5116 1 8 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.390 -0.066 25969 5117 1 8 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.237 -0.103 25969 5118 1 8 . 1 1 79 79 GLU H H 79 7.888 7.888 8.314 -0.426 25969 5119 1 8 . 1 1 80 80 ALA N N 80 120.528 120.528 118.905 1.623 25969 5120 1 8 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.437 -0.335 25969 5121 1 8 . 1 1 80 80 ALA C C 80 178.142 178.142 176.584 1.558 25969 5122 1 8 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.931 0.136 25969 5123 1 8 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.645 -1.373 25969 5124 1 8 . 1 1 80 80 ALA H H 80 7.175 7.175 8.040 -0.865 25969 5125 1 8 . 1 1 81 81 GLU N N 81 115.377 115.377 117.522 -2.145 25969 5126 1 8 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.825 -0.063 25969 5127 1 8 . 1 1 81 81 GLU C C 81 171.047 171.047 174.765 -3.718 25969 5128 1 8 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.868 -0.670 25969 5129 1 8 . 1 1 81 81 GLU CB C 81 30.693 30.693 28.714 1.979 25969 5130 1 8 . 1 1 81 81 GLU H H 81 7.457 7.457 7.613 -0.156 25969 5131 1 8 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.152 0.545 25969 5132 1 8 . 1 1 82 82 PRO C C 82 177.636 177.636 176.854 0.782 25969 5133 1 8 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.744 -1.153 25969 5134 1 8 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.888 0.944 25969 5135 1 8 . 1 1 83 83 ARG N N 83 118.488 118.488 117.801 0.687 25969 5136 1 8 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.583 -0.009 25969 5137 1 8 . 1 1 83 83 ARG C C 83 176.870 176.870 175.626 1.244 25969 5138 1 8 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.261 -0.217 25969 5139 1 8 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.805 0.371 25969 5140 1 8 . 1 1 83 83 ARG H H 83 8.554 8.554 8.079 0.475 25969 5141 1 8 . 1 1 84 84 VAL N N 84 111.376 111.376 120.002 -8.626 25969 5142 1 8 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.145 -0.118 25969 5143 1 8 . 1 1 84 84 VAL C C 84 174.302 174.302 174.657 -0.355 25969 5144 1 8 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.164 -0.621 25969 5145 1 8 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.415 0.275 25969 5146 1 8 . 1 1 84 84 VAL H H 84 8.304 8.304 8.323 -0.019 25969 5147 1 8 . 1 1 85 85 LEU N N 85 122.000 122.000 121.864 0.136 25969 5148 1 8 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.199 0.129 25969 5149 1 8 . 1 1 85 85 LEU C C 85 175.491 175.491 174.229 1.262 25969 5150 1 8 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.439 -0.573 25969 5151 1 8 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.815 0.308 25969 5152 1 8 . 1 1 85 85 LEU H H 85 8.095 8.095 8.737 -0.642 25969 5153 1 8 . 1 1 86 86 ARG N N 86 119.409 119.409 121.387 -1.978 25969 5154 1 8 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.250 0.220 25969 5155 1 8 . 1 1 86 86 ARG C C 86 174.928 174.928 173.324 1.604 25969 5156 1 8 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.835 -0.633 25969 5157 1 8 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.239 1.397 25969 5158 1 8 . 1 1 86 86 ARG H H 86 8.851 8.851 8.215 0.636 25969 5159 1 8 . 1 1 87 87 LEU N N 87 122.550 122.550 123.998 -1.448 25969 5160 1 8 . 1 1 87 87 LEU HA H 87 5.074 5.074 4.974 0.100 25969 5161 1 8 . 1 1 87 87 LEU C C 87 174.406 174.406 174.370 0.036 25969 5162 1 8 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.901 1.103 25969 5163 1 8 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.159 1.965 25969 5164 1 8 . 1 1 87 87 LEU H H 87 8.798 8.798 8.074 0.724 25969 5165 1 8 . 1 1 88 88 ASN N N 88 125.347 125.347 123.232 2.115 25969 5166 1 8 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.464 -0.041 25969 5167 1 8 . 1 1 88 88 ASN C C 88 176.576 176.576 176.641 -0.065 25969 5168 1 8 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.707 -0.844 25969 5169 1 8 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.106 0.471 25969 5170 1 8 . 1 1 88 88 ASN H H 88 7.376 7.376 8.090 -0.714 25969 5171 1 8 . 1 1 89 89 GLU N N 89 114.953 114.953 118.953 -4.000 25969 5172 1 8 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.334 -0.938 25969 5173 1 8 . 1 1 89 89 GLU C C 89 176.684 176.684 177.187 -0.503 25969 5174 1 8 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.811 -0.271 25969 5175 1 8 . 1 1 89 89 GLU CB C 89 27.870 27.870 29.077 -1.207 25969 5176 1 8 . 1 1 89 89 GLU H H 89 7.586 7.586 8.213 -0.627 25969 5177 1 8 . 1 1 90 90 SER N N 90 117.110 117.110 112.901 4.209 25969 5178 1 8 . 1 1 90 90 SER HA H 90 4.442 4.442 4.366 0.076 25969 5179 1 8 . 1 1 90 90 SER C C 90 174.051 174.051 175.018 -0.967 25969 5180 1 8 . 1 1 90 90 SER CA C 90 58.895 58.895 57.926 0.969 25969 5181 1 8 . 1 1 90 90 SER CB C 90 63.886 63.886 63.172 0.714 25969 5182 1 8 . 1 1 90 90 SER H H 90 7.385 7.385 7.841 -0.456 25969 5183 1 8 . 1 1 91 91 LEU N N 91 116.559 116.559 119.547 -2.988 25969 5184 1 8 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.048 -0.351 25969 5185 1 8 . 1 1 91 91 LEU C C 91 175.825 175.825 175.163 0.662 25969 5186 1 8 . 1 1 91 91 LEU CA C 91 56.042 56.042 55.821 0.221 25969 5187 1 8 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.691 -1.986 25969 5188 1 8 . 1 1 91 91 LEU H H 91 8.704 8.704 7.523 1.181 25969 5189 1 8 . 1 1 92 92 THR N N 92 115.529 115.529 114.162 1.367 25969 5190 1 8 . 1 1 92 92 THR HA H 92 4.254 4.254 4.423 -0.169 25969 5191 1 8 . 1 1 92 92 THR C C 92 173.425 173.425 173.343 0.082 25969 5192 1 8 . 1 1 92 92 THR CA C 92 62.617 62.617 62.591 0.026 25969 5193 1 8 . 1 1 92 92 THR CB C 92 69.096 69.096 69.236 -0.140 25969 5194 1 8 . 1 1 92 92 THR H H 92 7.704 7.704 7.596 0.108 25969 5195 1 8 . 1 1 93 93 ALA N N 93 130.459 130.459 131.389 -0.930 25969 5196 1 8 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.328 0.359 25969 5197 1 8 . 1 1 93 93 ALA C C 93 177.201 177.201 175.478 1.723 25969 5198 1 8 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.595 0.667 25969 5199 1 8 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.091 -0.281 25969 5200 1 8 . 1 1 93 93 ALA H H 93 9.002 9.002 8.432 0.570 25969 5201 1 8 . 1 1 94 94 VAL N N 94 117.872 117.872 120.813 -2.941 25969 5202 1 8 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.839 0.065 25969 5203 1 8 . 1 1 94 94 VAL C C 94 173.613 173.613 173.757 -0.144 25969 5204 1 8 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.671 -0.992 25969 5205 1 8 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.072 -0.036 25969 5206 1 8 . 1 1 94 94 VAL H H 94 8.833 8.833 8.223 0.610 25969 5207 1 8 . 1 1 95 95 VAL N N 95 121.842 121.842 127.510 -5.668 25969 5208 1 8 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.832 0.421 25969 5209 1 8 . 1 1 95 95 VAL C C 95 174.552 174.552 173.866 0.686 25969 5210 1 8 . 1 1 95 95 VAL CA C 95 57.942 57.942 59.097 -1.155 25969 5211 1 8 . 1 1 95 95 VAL CB C 95 34.900 34.900 33.932 0.968 25969 5212 1 8 . 1 1 95 95 VAL H H 95 9.286 9.286 8.848 0.438 25969 5213 1 8 . 1 1 96 96 CYS N N 96 126.839 126.839 124.202 2.637 25969 5214 1 8 . 1 1 96 96 CYS HA H 96 5.423 5.423 4.986 0.437 25969 5215 1 8 . 1 1 96 96 CYS C C 96 174.135 174.135 175.611 -1.476 25969 5216 1 8 . 1 1 96 96 CYS CA C 96 54.269 54.269 58.170 -3.901 25969 5217 1 8 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.689 15.766 25969 5218 1 8 . 1 1 96 96 CYS H H 96 9.452 9.452 8.941 0.511 25969 5219 1 8 . 1 1 97 97 GLY N N 97 109.718 109.718 108.193 1.525 25969 5220 1 8 . 1 1 97 97 GLY C C 97 172.639 172.639 172.704 -0.065 25969 5221 1 8 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.245 1.143 25969 5222 1 8 . 1 1 97 97 GLY H H 97 8.355 8.355 8.730 -0.375 25969 5223 1 8 . 1 1 98 98 LYS N N 98 114.844 114.844 119.804 -4.960 25969 5224 1 8 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.677 0.067 25969 5225 1 8 . 1 1 98 98 LYS C C 98 174.051 174.051 174.569 -0.518 25969 5226 1 8 . 1 1 98 98 LYS CA C 98 54.336 54.336 54.827 -0.491 25969 5227 1 8 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.379 0.149 25969 5228 1 8 . 1 1 98 98 LYS H H 98 7.632 7.632 7.979 -0.347 25969 5229 1 8 . 1 1 99 99 MET N N 99 124.801 124.801 127.056 -2.255 25969 5230 1 8 . 1 1 99 99 MET HA H 99 5.017 5.017 4.709 0.308 25969 5231 1 8 . 1 1 99 99 MET C C 99 176.337 176.337 174.477 1.860 25969 5232 1 8 . 1 1 99 99 MET CA C 99 54.803 54.803 55.240 -0.437 25969 5233 1 8 . 1 1 99 99 MET CB C 99 34.646 34.646 33.553 1.093 25969 5234 1 8 . 1 1 99 99 MET H H 99 8.759 8.759 8.810 -0.051 25969 5235 1 8 . 1 1 100 100 LYS N N 100 126.252 126.252 124.928 1.324 25969 5236 1 8 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.388 -0.011 25969 5237 1 8 . 1 1 100 100 LYS C C 100 177.222 177.222 177.421 -0.199 25969 5238 1 8 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.004 -0.549 25969 5239 1 8 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.160 -0.731 25969 5240 1 8 . 1 1 100 100 LYS H H 100 8.602 8.602 8.050 0.552 25969 5241 1 8 . 1 1 101 101 GLY N N 101 108.944 108.944 106.731 2.213 25969 5242 1 8 . 1 1 101 101 GLY C C 101 173.613 173.613 174.223 -0.610 25969 5243 1 8 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.395 0.190 25969 5244 1 8 . 1 1 101 101 GLY H H 101 8.385 8.385 7.620 0.765 25969 5245 1 8 . 1 1 102 102 LYS N N 102 118.594 118.594 118.903 -0.309 25969 5246 1 8 . 1 1 102 102 LYS HA H 102 4.414 4.414 3.968 0.446 25969 5247 1 8 . 1 1 102 102 LYS C C 102 176.867 176.867 176.130 0.737 25969 5248 1 8 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.823 -1.951 25969 5249 1 8 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.453 1.570 25969 5250 1 8 . 1 1 102 102 LYS H H 102 8.436 8.436 7.750 0.686 25969 5251 1 8 . 1 1 103 103 GLY N N 103 110.581 110.581 108.363 2.218 25969 5252 1 8 . 1 1 103 103 GLY C C 103 171.631 171.631 172.134 -0.503 25969 5253 1 8 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.234 1.686 25969 5254 1 8 . 1 1 103 103 GLY H H 103 8.443 8.443 8.196 0.247 25969 5255 1 8 . 1 1 104 104 SER N N 104 113.710 113.710 115.223 -1.513 25969 5256 1 8 . 1 1 104 104 SER HA H 104 4.697 4.697 4.792 -0.095 25969 5257 1 8 . 1 1 104 104 SER C C 104 174.680 174.680 174.319 0.361 25969 5258 1 8 . 1 1 104 104 SER CA C 104 57.331 57.331 56.364 0.967 25969 5259 1 8 . 1 1 104 104 SER CB C 104 66.178 66.178 65.838 0.340 25969 5260 1 8 . 1 1 104 104 SER H H 104 8.535 8.535 7.734 0.801 25969 5261 1 8 . 1 1 105 105 CYS N N 105 118.835 118.835 122.006 -3.171 25969 5262 1 8 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.396 0.216 25969 5263 1 8 . 1 1 105 105 CYS C C 105 176.502 176.502 175.729 0.773 25969 5264 1 8 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.584 -3.448 25969 5265 1 8 . 1 1 105 105 CYS CB C 105 40.412 40.412 26.917 13.495 25969 5266 1 8 . 1 1 105 105 CYS H H 105 10.009 10.009 8.907 1.102 25969 5267 1 8 . 1 1 106 106 THR N N 106 107.957 107.957 114.470 -6.513 25969 5268 1 8 . 1 1 106 106 THR HA H 106 4.574 4.574 3.948 0.626 25969 5269 1 8 . 1 1 106 106 THR C C 106 175.178 175.178 174.198 0.980 25969 5270 1 8 . 1 1 106 106 THR CA C 106 61.014 61.014 64.418 -3.404 25969 5271 1 8 . 1 1 106 106 THR CB C 106 68.495 68.495 67.848 0.647 25969 5272 1 8 . 1 1 106 106 THR H H 106 8.030 8.030 8.821 -0.791 25969 5273 1 8 . 1 1 107 107 ASP N N 107 120.763 120.763 117.956 2.807 25969 5274 1 8 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.736 -0.416 25969 5275 1 8 . 1 1 107 107 ASP C C 107 177.264 177.264 175.659 1.605 25969 5276 1 8 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.825 0.179 25969 5277 1 8 . 1 1 107 107 ASP CB C 107 40.844 40.844 44.279 -3.435 25969 5278 1 8 . 1 1 107 107 ASP H H 107 7.531 7.531 7.624 -0.093 25969 5279 1 8 . 1 1 108 108 GLY N N 108 108.602 108.602 109.653 -1.051 25969 5280 1 8 . 1 1 108 108 GLY C C 108 174.698 174.698 173.626 1.072 25969 5281 1 8 . 1 1 108 108 GLY CA C 108 45.653 45.653 44.922 0.731 25969 5282 1 8 . 1 1 108 108 GLY H H 108 8.591 8.591 8.068 0.523 25969 5283 1 8 . 1 1 109 109 GLU N N 109 120.191 120.191 119.420 0.771 25969 5284 1 8 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.226 0.226 25969 5285 1 8 . 1 1 109 109 GLU C C 109 176.472 176.472 175.461 1.011 25969 5286 1 8 . 1 1 109 109 GLU CA C 109 55.678 55.678 55.739 -0.061 25969 5287 1 8 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.235 0.649 25969 5288 1 8 . 1 1 109 109 GLU H H 109 8.292 8.292 7.786 0.506 25969 5289 1 8 . 1 1 110 110 GLU N N 110 116.857 116.857 124.192 -7.335 25969 5290 1 8 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.364 -0.148 25969 5291 1 8 . 1 1 110 110 GLU C C 110 176.381 176.381 174.421 1.960 25969 5292 1 8 . 1 1 110 110 GLU CA C 110 57.136 57.136 57.775 -0.639 25969 5293 1 8 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.592 -0.319 25969 5294 1 8 . 1 1 110 110 GLU H H 110 9.028 9.028 8.762 0.266 25969 5295 1 8 . 1 1 111 111 ILE N N 111 109.164 109.164 111.350 -2.186 25969 5296 1 8 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.844 -0.009 25969 5297 1 8 . 1 1 111 111 ILE C C 111 176.868 176.868 174.654 2.214 25969 5298 1 8 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.197 -0.055 25969 5299 1 8 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.714 1.401 25969 5300 1 8 . 1 1 111 111 ILE H H 111 7.022 7.022 7.277 -0.255 25969 5301 1 8 . 1 1 112 112 PHE N N 112 118.509 118.509 124.188 -5.679 25969 5302 1 8 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.837 0.275 25969 5303 1 8 . 1 1 112 112 PHE C C 112 174.171 174.171 173.732 0.439 25969 5304 1 8 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.593 2.197 25969 5305 1 8 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.931 2.928 25969 5306 1 8 . 1 1 112 112 PHE H H 112 8.605 8.605 8.054 0.551 25969 5307 1 8 . 1 1 113 113 ARG N N 113 119.908 119.908 123.801 -3.893 25969 5308 1 8 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.436 0.336 25969 5309 1 8 . 1 1 113 113 ARG C C 113 176.930 176.930 175.932 0.998 25969 5310 1 8 . 1 1 113 113 ARG CA C 113 55.404 55.404 54.007 1.397 25969 5311 1 8 . 1 1 113 113 ARG CB C 113 33.431 33.431 31.439 1.992 25969 5312 1 8 . 1 1 113 113 ARG H H 113 9.352 9.352 7.463 1.889 25969 5313 1 8 . 1 1 114 114 GLY N N 114 109.477 109.477 112.849 -3.372 25969 5314 1 8 . 1 1 114 114 GLY C C 114 173.738 173.738 173.890 -0.152 25969 5315 1 8 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.943 -1.492 25969 5316 1 8 . 1 1 114 114 GLY H H 114 8.467 8.467 8.511 -0.044 25969 5317 1 8 . 1 1 115 115 ASN N N 115 119.193 119.193 119.988 -0.795 25969 5318 1 8 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.758 -0.024 25969 5319 1 8 . 1 1 115 115 ASN C C 115 173.530 173.530 173.779 -0.249 25969 5320 1 8 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.667 0.066 25969 5321 1 8 . 1 1 115 115 ASN CB C 115 39.642 39.642 40.305 -0.663 25969 5322 1 8 . 1 1 115 115 ASN H H 115 8.523 8.523 8.431 0.092 25969 5323 1 8 . 1 1 116 116 ASP N N 116 120.602 120.602 118.876 1.726 25969 5324 1 8 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.148 -0.065 25969 5325 1 8 . 1 1 116 116 ASP C C 116 174.030 174.030 174.894 -0.864 25969 5326 1 8 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.158 2.111 25969 5327 1 8 . 1 1 116 116 ASP CB C 116 43.983 43.983 42.289 1.694 25969 5328 1 8 . 1 1 116 116 ASP H H 116 8.098 8.098 7.802 0.296 25969 5329 1 8 . 1 1 117 117 ALA N N 117 123.146 123.146 120.818 2.328 25969 5330 1 8 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.475 0.241 25969 5331 1 8 . 1 1 117 117 ALA C C 117 175.345 175.345 176.181 -0.836 25969 5332 1 8 . 1 1 117 117 ALA CA C 117 50.462 50.462 51.034 -0.572 25969 5333 1 8 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.701 1.444 25969 5334 1 8 . 1 1 117 117 ALA H H 117 8.979 8.979 8.332 0.646 25969 5335 1 8 . 1 1 118 118 GLU N N 118 115.917 115.917 115.999 -0.082 25969 5336 1 8 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.996 -0.101 25969 5337 1 8 . 1 1 118 118 GLU C C 118 177.181 177.181 174.723 2.458 25969 5338 1 8 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.500 -1.142 25969 5339 1 8 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.436 -0.683 25969 5340 1 8 . 1 1 118 118 GLU H H 118 8.829 8.829 8.741 0.088 25969 5341 1 8 . 1 1 119 119 CYS N N 119 119.476 119.476 116.845 2.631 25969 5342 1 8 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.388 0.081 25969 5343 1 8 . 1 1 119 119 CYS C C 119 174.738 174.738 174.620 0.118 25969 5344 1 8 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.207 -1.043 25969 5345 1 8 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.385 13.073 25969 5346 1 8 . 1 1 119 119 CYS H H 119 8.671 8.671 8.118 0.553 25969 5347 1 8 . 1 1 120 120 ARG N N 120 123.444 123.444 121.853 1.591 25969 5348 1 8 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.019 -0.094 25969 5349 1 8 . 1 1 120 120 ARG C C 120 172.028 172.028 173.200 -1.172 25969 5350 1 8 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.039 0.629 25969 5351 1 8 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.677 0.884 25969 5352 1 8 . 1 1 120 120 ARG H H 120 9.238 9.238 9.191 0.047 25969 5353 1 8 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.705 -0.159 25969 5354 1 8 . 1 1 121 121 PRO C C 121 176.138 176.138 175.456 0.682 25969 5355 1 8 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.151 0.868 25969 5356 1 8 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.960 0.202 25969 5357 1 8 . 1 1 122 122 PHE N N 122 124.392 124.392 125.673 -1.281 25969 5358 1 8 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.764 -0.058 25969 5359 1 8 . 1 1 122 122 PHE C C 122 175.032 175.032 174.336 0.696 25969 5360 1 8 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.193 1.215 25969 5361 1 8 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.629 -2.252 25969 5362 1 8 . 1 1 122 122 PHE H H 122 8.335 8.335 8.776 -0.441 25969 5363 1 8 . 1 1 123 123 THR N N 123 118.912 118.912 114.229 4.683 25969 5364 1 8 . 1 1 123 123 THR HA H 123 4.140 4.140 4.563 -0.423 25969 5365 1 8 . 1 1 123 123 THR C C 123 173.071 173.071 173.880 -0.809 25969 5366 1 8 . 1 1 123 123 THR CA C 123 60.948 60.948 60.132 0.816 25969 5367 1 8 . 1 1 123 123 THR CB C 123 69.430 69.430 69.664 -0.234 25969 5368 1 8 . 1 1 123 123 THR H H 123 8.146 8.146 7.876 0.270 25969 5369 1 9 . 1 1 7 7 ARG N N 7 122.494 122.494 122.327 0.167 25969 5370 1 9 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.432 -0.082 25969 5371 1 9 . 1 1 7 7 ARG C C 7 177.037 177.037 175.065 1.972 25969 5372 1 9 . 1 1 7 7 ARG CA C 7 56.724 56.724 55.949 0.775 25969 5373 1 9 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.286 -0.405 25969 5374 1 9 . 1 1 7 7 ARG H H 7 8.649 8.649 8.160 0.489 25969 5375 1 9 . 1 1 8 8 SER N N 8 117.535 117.535 113.751 3.784 25969 5376 1 9 . 1 1 8 8 SER HA H 8 4.384 4.384 4.763 -0.379 25969 5377 1 9 . 1 1 8 8 SER C C 8 174.613 174.613 173.239 1.374 25969 5378 1 9 . 1 1 8 8 SER CA C 8 59.412 59.412 57.432 1.980 25969 5379 1 9 . 1 1 8 8 SER CB C 8 63.686 63.686 65.115 -1.429 25969 5380 1 9 . 1 1 8 8 SER H H 8 8.522 8.522 8.189 0.333 25969 5381 1 9 . 1 1 9 9 ALA N N 9 126.336 126.336 127.512 -1.176 25969 5382 1 9 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.481 -0.016 25969 5383 1 9 . 1 1 9 9 ALA C C 9 178.349 178.349 178.714 -0.365 25969 5384 1 9 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.343 0.724 25969 5385 1 9 . 1 1 9 9 ALA CB C 9 18.914 18.914 19.946 -1.032 25969 5386 1 9 . 1 1 9 9 ALA H H 9 8.415 8.415 8.398 0.017 25969 5387 1 9 . 1 1 10 10 ASN N N 10 121.438 121.438 118.443 2.995 25969 5388 1 9 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.708 -0.022 25969 5389 1 9 . 1 1 10 10 ASN C C 10 175.571 175.571 175.668 -0.097 25969 5390 1 9 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.972 -0.725 25969 5391 1 9 . 1 1 10 10 ASN CB C 10 39.125 39.125 36.864 2.260 25969 5392 1 9 . 1 1 10 10 ASN H H 10 9.263 9.263 9.325 -0.062 25969 5393 1 9 . 1 1 11 11 LEU N N 11 125.021 125.021 120.816 4.205 25969 5394 1 9 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.910 0.711 25969 5395 1 9 . 1 1 11 11 LEU C C 11 178.567 178.567 177.896 0.671 25969 5396 1 9 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.500 1.386 25969 5397 1 9 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.234 1.026 25969 5398 1 9 . 1 1 11 11 LEU H H 11 8.560 8.560 7.814 0.746 25969 5399 1 9 . 1 1 12 12 ARG N N 12 117.977 117.977 118.195 -0.218 25969 5400 1 9 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.143 -0.009 25969 5401 1 9 . 1 1 12 12 ARG C C 12 179.350 179.350 178.369 0.981 25969 5402 1 9 . 1 1 12 12 ARG CA C 12 60.347 60.347 58.658 1.689 25969 5403 1 9 . 1 1 12 12 ARG CB C 12 29.691 29.691 29.087 0.604 25969 5404 1 9 . 1 1 12 12 ARG H H 12 8.114 8.114 8.245 -0.131 25969 5405 1 9 . 1 1 13 13 ALA N N 13 123.280 123.280 121.089 2.191 25969 5406 1 9 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.361 -0.148 25969 5407 1 9 . 1 1 13 13 ALA C C 13 180.957 180.957 179.141 1.816 25969 5408 1 9 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.398 0.004 25969 5409 1 9 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.410 -0.541 25969 5410 1 9 . 1 1 13 13 ALA H H 13 7.871 7.871 7.862 0.009 25969 5411 1 9 . 1 1 14 14 ALA N N 14 122.111 122.111 121.342 0.769 25969 5412 1 9 . 1 1 14 14 ALA HA H 14 3.705 3.705 4.038 -0.333 25969 5413 1 9 . 1 1 14 14 ALA C C 14 178.578 178.578 179.164 -0.586 25969 5414 1 9 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.632 0.772 25969 5415 1 9 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.877 -0.617 25969 5416 1 9 . 1 1 14 14 ALA H H 14 7.930 7.930 7.332 0.598 25969 5417 1 9 . 1 1 15 15 HIS N N 15 118.502 118.502 118.404 0.098 25969 5418 1 9 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.202 -0.426 25969 5419 1 9 . 1 1 15 15 HIS C C 15 176.304 176.304 177.006 -0.702 25969 5420 1 9 . 1 1 15 15 HIS CA C 15 60.031 60.031 59.898 0.133 25969 5421 1 9 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.705 1.665 25969 5422 1 9 . 1 1 15 15 HIS H H 15 8.422 8.422 8.807 -0.385 25969 5423 1 9 . 1 1 16 16 ALA N N 16 120.116 120.116 119.183 0.933 25969 5424 1 9 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.325 -0.471 25969 5425 1 9 . 1 1 16 16 ALA C C 16 180.644 180.644 178.552 2.092 25969 5426 1 9 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.586 1.885 25969 5427 1 9 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.761 -0.959 25969 5428 1 9 . 1 1 16 16 ALA H H 16 7.980 7.980 7.596 0.385 25969 5429 1 9 . 1 1 17 17 ALA N N 17 121.281 121.281 123.358 -2.077 25969 5430 1 9 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.047 0.129 25969 5431 1 9 . 1 1 17 17 ALA C C 17 180.122 180.122 179.057 1.065 25969 5432 1 9 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.827 -0.358 25969 5433 1 9 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.551 1.589 25969 5434 1 9 . 1 1 17 17 ALA H H 17 7.465 7.465 7.456 0.009 25969 5435 1 9 . 1 1 18 18 LEU N N 18 120.262 120.262 118.221 2.041 25969 5436 1 9 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.033 -0.226 25969 5437 1 9 . 1 1 18 18 LEU C C 18 178.766 178.766 179.333 -0.567 25969 5438 1 9 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.292 1.452 25969 5439 1 9 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.824 0.887 25969 5440 1 9 . 1 1 18 18 LEU H H 18 8.468 8.468 8.485 -0.017 25969 5441 1 9 . 1 1 19 19 LEU N N 19 119.078 119.078 121.347 -2.269 25969 5442 1 9 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.157 -0.295 25969 5443 1 9 . 1 1 19 19 LEU C C 19 179.517 179.517 178.359 1.158 25969 5444 1 9 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.529 -0.520 25969 5445 1 9 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.070 0.375 25969 5446 1 9 . 1 1 19 19 LEU H H 19 8.029 8.029 7.557 0.472 25969 5447 1 9 . 1 1 20 20 GLU N N 20 121.499 121.499 119.569 1.930 25969 5448 1 9 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.014 0.013 25969 5449 1 9 . 1 1 20 20 GLU C C 20 180.289 180.289 179.270 1.019 25969 5450 1 9 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.559 0.320 25969 5451 1 9 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.382 -0.092 25969 5452 1 9 . 1 1 20 20 GLU H H 20 7.895 7.895 8.588 -0.693 25969 5453 1 9 . 1 1 21 21 ASN N N 21 119.066 119.066 117.346 1.720 25969 5454 1 9 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.674 -0.136 25969 5455 1 9 . 1 1 21 21 ASN C C 21 177.368 177.368 177.250 0.118 25969 5456 1 9 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.726 0.146 25969 5457 1 9 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.968 1.476 25969 5458 1 9 . 1 1 21 21 ASN H H 21 8.373 8.373 8.445 -0.072 25969 5459 1 9 . 1 1 22 22 ALA N N 22 125.274 125.274 124.249 1.025 25969 5460 1 9 . 1 1 22 22 ALA HA H 22 3.773 3.773 3.987 -0.214 25969 5461 1 9 . 1 1 22 22 ALA C C 22 179.402 179.402 179.874 -0.472 25969 5462 1 9 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.240 0.231 25969 5463 1 9 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.615 -0.395 25969 5464 1 9 . 1 1 22 22 ALA H H 22 8.886 8.886 8.402 0.484 25969 5465 1 9 . 1 1 23 23 ARG N N 23 119.945 119.945 116.778 3.167 25969 5466 1 9 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.193 0.004 25969 5467 1 9 . 1 1 23 23 ARG C C 23 179.726 179.726 178.463 1.263 25969 5468 1 9 . 1 1 23 23 ARG CA C 23 59.812 59.812 58.838 0.974 25969 5469 1 9 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.732 -0.041 25969 5470 1 9 . 1 1 23 23 ARG H H 23 8.168 8.168 8.274 -0.106 25969 5471 1 9 . 1 1 24 24 PHE N N 24 121.222 121.222 120.616 0.606 25969 5472 1 9 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.362 0.005 25969 5473 1 9 . 1 1 24 24 PHE C C 24 177.410 177.410 177.871 -0.461 25969 5474 1 9 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.732 -0.384 25969 5475 1 9 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.082 -1.176 25969 5476 1 9 . 1 1 24 24 PHE H H 24 7.658 7.658 7.656 0.002 25969 5477 1 9 . 1 1 25 25 MET N N 25 120.355 120.355 118.872 1.483 25969 5478 1 9 . 1 1 25 25 MET HA H 25 4.300 4.300 4.400 -0.100 25969 5479 1 9 . 1 1 25 25 MET C C 25 179.371 179.371 178.317 1.054 25969 5480 1 9 . 1 1 25 25 MET CA C 25 55.939 55.939 56.687 -0.748 25969 5481 1 9 . 1 1 25 25 MET CB C 25 29.424 29.424 31.210 -1.786 25969 5482 1 9 . 1 1 25 25 MET H H 25 8.358 8.358 9.014 -0.656 25969 5483 1 9 . 1 1 26 26 GLU N N 26 120.164 120.164 119.578 0.586 25969 5484 1 9 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.270 0.068 25969 5485 1 9 . 1 1 26 26 GLU C C 26 179.934 179.934 179.865 0.069 25969 5486 1 9 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.551 0.502 25969 5487 1 9 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.528 -0.044 25969 5488 1 9 . 1 1 26 26 GLU H H 26 8.441 8.441 8.556 -0.115 25969 5489 1 9 . 1 1 27 27 GLN N N 27 121.309 121.309 119.007 2.302 25969 5490 1 9 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.207 -0.075 25969 5491 1 9 . 1 1 27 27 GLN C C 27 178.307 178.307 178.187 0.120 25969 5492 1 9 . 1 1 27 27 GLN CA C 27 58.610 58.610 58.208 0.402 25969 5493 1 9 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.800 -0.712 25969 5494 1 9 . 1 1 27 27 GLN H H 27 8.001 8.001 8.228 -0.227 25969 5495 1 9 . 1 1 28 28 PHE N N 28 124.569 124.569 121.789 2.780 25969 5496 1 9 . 1 1 28 28 PHE HA H 28 3.814 3.814 3.981 -0.167 25969 5497 1 9 . 1 1 28 28 PHE C C 28 177.717 177.717 177.605 0.112 25969 5498 1 9 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.575 0.617 25969 5499 1 9 . 1 1 28 28 PHE CB C 28 39.343 39.343 38.994 0.349 25969 5500 1 9 . 1 1 28 28 PHE H H 28 8.760 8.760 8.336 0.424 25969 5501 1 9 . 1 1 29 29 TYR N N 29 121.726 121.726 119.497 2.229 25969 5502 1 9 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.092 -0.297 25969 5503 1 9 . 1 1 29 29 TYR C C 29 179.079 179.079 176.777 2.302 25969 5504 1 9 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.029 -0.080 25969 5505 1 9 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.543 0.164 25969 5506 1 9 . 1 1 29 29 TYR H H 29 8.956 8.956 8.360 0.596 25969 5507 1 9 . 1 1 30 30 ALA N N 30 121.142 121.142 120.007 1.135 25969 5508 1 9 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.010 0.038 25969 5509 1 9 . 1 1 30 30 ALA C C 30 174.781 174.781 178.498 -3.717 25969 5510 1 9 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.118 0.752 25969 5511 1 9 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.232 -0.363 25969 5512 1 9 . 1 1 30 30 ALA H H 30 8.063 8.063 7.611 0.452 25969 5513 1 9 . 1 1 31 31 LYS N N 31 114.745 114.745 115.550 -0.805 25969 5514 1 9 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.195 -0.007 25969 5515 1 9 . 1 1 31 31 LYS C C 31 177.744 177.744 177.163 0.581 25969 5516 1 9 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.462 -0.053 25969 5517 1 9 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.360 -0.185 25969 5518 1 9 . 1 1 31 31 LYS H H 31 7.172 7.172 7.936 -0.764 25969 5519 1 9 . 1 1 32 32 LYS N N 32 117.388 117.388 117.406 -0.018 25969 5520 1 9 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.223 -0.110 25969 5521 1 9 . 1 1 32 32 LYS C C 32 177.747 177.747 176.664 1.083 25969 5522 1 9 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.250 -0.445 25969 5523 1 9 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.387 -0.489 25969 5524 1 9 . 1 1 32 32 LYS H H 32 8.154 8.154 7.711 0.443 25969 5525 1 9 . 1 1 33 33 GLY N N 33 109.017 109.017 105.611 3.406 25969 5526 1 9 . 1 1 33 33 GLY C C 33 171.798 171.798 173.511 -1.713 25969 5527 1 9 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.919 -0.268 25969 5528 1 9 . 1 1 33 33 GLY H H 33 8.945 8.945 8.372 0.573 25969 5529 1 9 . 1 1 34 34 SER N N 34 110.165 110.165 114.267 -4.102 25969 5530 1 9 . 1 1 34 34 SER HA H 34 4.136 4.136 5.355 -1.219 25969 5531 1 9 . 1 1 34 34 SER C C 34 172.862 172.862 173.640 -0.778 25969 5532 1 9 . 1 1 34 34 SER CA C 34 56.673 56.673 58.163 -1.490 25969 5533 1 9 . 1 1 34 34 SER CB C 34 64.621 64.621 66.467 -1.846 25969 5534 1 9 . 1 1 34 34 SER H H 34 6.756 6.756 7.604 -0.848 25969 5535 1 9 . 1 1 35 35 PHE N N 35 121.132 121.132 122.857 -1.725 25969 5536 1 9 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.820 0.294 25969 5537 1 9 . 1 1 35 35 PHE C C 35 172.888 172.888 175.511 -2.623 25969 5538 1 9 . 1 1 35 35 PHE CA C 35 59.260 59.260 59.834 -0.574 25969 5539 1 9 . 1 1 35 35 PHE CB C 35 40.488 40.488 41.123 -0.635 25969 5540 1 9 . 1 1 35 35 PHE H H 35 9.403 9.403 9.320 0.083 25969 5541 1 9 . 1 1 36 36 LYS N N 36 114.841 114.841 120.968 -6.127 25969 5542 1 9 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.465 -0.081 25969 5543 1 9 . 1 1 36 36 LYS C C 36 177.118 177.118 176.497 0.621 25969 5544 1 9 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.209 0.063 25969 5545 1 9 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.235 -0.138 25969 5546 1 9 . 1 1 36 36 LYS H H 36 8.536 8.536 8.156 0.380 25969 5547 1 9 . 1 1 37 37 LEU N N 37 124.789 124.789 120.665 4.124 25969 5548 1 9 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.759 -0.309 25969 5549 1 9 . 1 1 37 37 LEU C C 37 177.535 177.535 177.136 0.399 25969 5550 1 9 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.562 2.180 25969 5551 1 9 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.355 1.896 25969 5552 1 9 . 1 1 37 37 LEU H H 37 8.503 8.503 8.515 -0.012 25969 5553 1 9 . 1 1 38 38 THR N N 38 108.556 108.556 112.391 -3.835 25969 5554 1 9 . 1 1 38 38 THR HA H 38 4.619 4.619 4.562 0.057 25969 5555 1 9 . 1 1 38 38 THR C C 38 173.947 173.947 173.198 0.749 25969 5556 1 9 . 1 1 38 38 THR CA C 38 58.944 58.944 59.299 -0.355 25969 5557 1 9 . 1 1 38 38 THR CB C 38 71.818 71.818 69.865 1.953 25969 5558 1 9 . 1 1 38 38 THR H H 38 8.189 8.189 7.613 0.576 25969 5559 1 9 . 1 1 39 39 SER N N 39 110.757 110.757 116.917 -6.160 25969 5560 1 9 . 1 1 39 39 SER HA H 39 4.057 4.057 4.501 -0.444 25969 5561 1 9 . 1 1 39 39 SER C C 39 174.904 174.904 174.912 -0.008 25969 5562 1 9 . 1 1 39 39 SER CA C 39 60.938 60.938 59.051 1.887 25969 5563 1 9 . 1 1 39 39 SER CB C 39 63.218 63.218 63.342 -0.124 25969 5564 1 9 . 1 1 39 39 SER H H 39 8.590 8.590 8.373 0.217 25969 5565 1 9 . 1 1 40 40 THR N N 40 129.807 129.807 112.570 17.237 25969 5566 1 9 . 1 1 40 40 THR HA H 40 4.453 4.453 3.838 0.615 25969 5567 1 9 . 1 1 40 40 THR C C 40 174.928 174.928 173.041 1.887 25969 5568 1 9 . 1 1 40 40 THR CA C 40 60.351 60.351 62.414 -2.063 25969 5569 1 9 . 1 1 40 40 THR CB C 40 69.910 69.910 67.033 2.877 25969 5570 1 9 . 1 1 40 40 THR H H 40 7.570 7.570 8.154 -0.584 25969 5571 1 9 . 1 1 41 41 LYS N N 41 125.614 125.614 118.377 7.237 25969 5572 1 9 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.628 0.084 25969 5573 1 9 . 1 1 41 41 LYS C C 41 174.907 174.907 174.360 0.547 25969 5574 1 9 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.407 1.331 25969 5575 1 9 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.312 1.730 25969 5576 1 9 . 1 1 41 41 LYS H H 41 7.425 7.425 7.677 -0.252 25969 5577 1 9 . 1 1 42 42 TRP N N 42 124.827 124.827 122.034 2.793 25969 5578 1 9 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.116 -0.014 25969 5579 1 9 . 1 1 42 42 TRP C C 42 173.384 173.384 174.575 -1.191 25969 5580 1 9 . 1 1 42 42 TRP CA C 42 54.402 54.402 53.370 1.032 25969 5581 1 9 . 1 1 42 42 TRP CB C 42 29.891 29.891 30.618 -0.727 25969 5582 1 9 . 1 1 42 42 TRP H H 42 8.590 8.590 8.619 -0.029 25969 5583 1 9 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.545 -0.098 25969 5584 1 9 . 1 1 43 43 PRO C C 43 174.990 174.990 176.127 -1.137 25969 5585 1 9 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.872 -0.321 25969 5586 1 9 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.505 -0.409 25969 5587 1 9 . 1 1 44 44 GLU N N 44 120.080 120.080 122.614 -2.534 25969 5588 1 9 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.168 -0.203 25969 5589 1 9 . 1 1 44 44 GLU C C 44 175.699 175.699 176.363 -0.664 25969 5590 1 9 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.422 -0.216 25969 5591 1 9 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.659 -1.077 25969 5592 1 9 . 1 1 44 44 GLU H H 44 8.134 8.134 8.439 -0.305 25969 5593 1 9 . 1 1 45 45 LEU N N 45 125.972 125.972 123.109 2.863 25969 5594 1 9 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.629 -0.666 25969 5595 1 9 . 1 1 45 45 LEU C C 45 176.242 176.242 175.629 0.613 25969 5596 1 9 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.728 -0.997 25969 5597 1 9 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.711 -0.399 25969 5598 1 9 . 1 1 45 45 LEU H H 45 8.363 8.363 8.087 0.276 25969 5599 1 9 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.139 0.035 25969 5600 1 9 . 1 1 46 46 PRO C C 46 177.702 177.702 176.027 1.675 25969 5601 1 9 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.568 0.252 25969 5602 1 9 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.924 -0.363 25969 5603 1 9 . 1 1 47 47 VAL N N 47 119.474 119.474 118.010 1.464 25969 5604 1 9 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.918 0.317 25969 5605 1 9 . 1 1 47 47 VAL C C 47 175.178 175.178 175.259 -0.081 25969 5606 1 9 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.449 -0.433 25969 5607 1 9 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.914 -0.766 25969 5608 1 9 . 1 1 47 47 VAL H H 47 7.836 7.836 7.952 -0.116 25969 5609 1 9 . 1 1 48 48 LYS N N 48 124.385 124.385 123.815 0.570 25969 5610 1 9 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.578 -0.269 25969 5611 1 9 . 1 1 48 48 LYS C C 48 176.534 176.534 175.481 1.053 25969 5612 1 9 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.221 0.920 25969 5613 1 9 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.563 0.269 25969 5614 1 9 . 1 1 48 48 LYS H H 48 8.638 8.638 8.378 0.260 25969 5615 1 9 . 1 1 49 49 GLU N N 49 118.262 118.262 118.274 -0.012 25969 5616 1 9 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.575 0.656 25969 5617 1 9 . 1 1 49 49 GLU C C 49 174.552 174.552 174.373 0.179 25969 5618 1 9 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.805 -0.534 25969 5619 1 9 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.706 1.591 25969 5620 1 9 . 1 1 49 49 GLU H H 49 7.473 7.473 7.735 -0.262 25969 5621 1 9 . 1 1 50 50 ALA N N 50 124.186 124.186 127.989 -3.803 25969 5622 1 9 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.579 -0.128 25969 5623 1 9 . 1 1 50 50 ALA C C 50 177.890 177.890 177.639 0.251 25969 5624 1 9 . 1 1 50 50 ALA CA C 50 53.133 53.133 51.402 1.731 25969 5625 1 9 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.256 3.357 25969 5626 1 9 . 1 1 50 50 ALA H H 50 8.902 8.902 8.914 -0.012 25969 5627 1 9 . 1 1 51 51 GLY N N 51 109.041 109.041 106.107 2.934 25969 5628 1 9 . 1 1 51 51 GLY C C 51 173.759 173.759 175.077 -1.318 25969 5629 1 9 . 1 1 51 51 GLY CA C 51 47.657 47.657 46.036 1.621 25969 5630 1 9 . 1 1 51 51 GLY H H 51 9.113 9.113 8.834 0.279 25969 5631 1 9 . 1 1 52 52 GLY N N 52 104.272 104.272 105.228 -0.956 25969 5632 1 9 . 1 1 52 52 GLY C C 52 174.156 174.156 172.995 1.161 25969 5633 1 9 . 1 1 52 52 GLY CA C 52 45.520 45.520 45.180 0.340 25969 5634 1 9 . 1 1 52 52 GLY H H 52 8.873 8.873 8.277 0.596 25969 5635 1 9 . 1 1 53 53 PHE N N 53 120.324 120.324 119.835 0.489 25969 5636 1 9 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.282 -0.125 25969 5637 1 9 . 1 1 53 53 PHE C C 53 175.574 175.574 174.255 1.319 25969 5638 1 9 . 1 1 53 53 PHE CA C 53 56.940 56.940 55.512 1.428 25969 5639 1 9 . 1 1 53 53 PHE CB C 53 41.379 41.379 42.995 -1.616 25969 5640 1 9 . 1 1 53 53 PHE H H 53 8.278 8.278 7.613 0.665 25969 5641 1 9 . 1 1 54 54 CYS N N 54 116.465 116.465 120.452 -3.987 25969 5642 1 9 . 1 1 54 54 CYS HA H 54 5.660 5.660 4.812 0.848 25969 5643 1 9 . 1 1 54 54 CYS C C 54 173.092 173.092 172.930 0.162 25969 5644 1 9 . 1 1 54 54 CYS CA C 54 54.997 54.997 58.608 -3.611 25969 5645 1 9 . 1 1 54 54 CYS CB C 54 44.496 44.496 28.667 15.829 25969 5646 1 9 . 1 1 54 54 CYS H H 54 9.911 9.911 9.053 0.858 25969 5647 1 9 . 1 1 55 55 ILE N N 55 119.910 119.910 125.819 -5.909 25969 5648 1 9 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.291 0.020 25969 5649 1 9 . 1 1 55 55 ILE C C 55 175.366 175.366 175.388 -0.022 25969 5650 1 9 . 1 1 55 55 ILE CA C 55 60.480 60.480 59.759 0.721 25969 5651 1 9 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.482 -0.783 25969 5652 1 9 . 1 1 55 55 ILE H H 55 7.971 7.971 8.625 -0.654 25969 5653 1 9 . 1 1 56 56 ARG N N 56 122.445 122.445 121.251 1.194 25969 5654 1 9 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.699 -0.078 25969 5655 1 9 . 1 1 56 56 ARG C C 56 174.948 174.948 174.275 0.673 25969 5656 1 9 . 1 1 56 56 ARG CA C 56 53.467 53.467 54.158 -0.691 25969 5657 1 9 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.075 1.335 25969 5658 1 9 . 1 1 56 56 ARG H H 56 8.927 8.927 8.391 0.536 25969 5659 1 9 . 1 1 57 57 MET N N 57 119.875 119.875 120.411 -0.536 25969 5660 1 9 . 1 1 57 57 MET HA H 57 4.574 4.574 4.327 0.247 25969 5661 1 9 . 1 1 57 57 MET C C 57 175.845 175.845 176.014 -0.169 25969 5662 1 9 . 1 1 57 57 MET CA C 57 55.204 55.204 56.246 -1.042 25969 5663 1 9 . 1 1 57 57 MET CB C 57 32.162 32.162 33.846 -1.684 25969 5664 1 9 . 1 1 57 57 MET H H 57 9.022 9.022 8.710 0.312 25969 5665 1 9 . 1 1 58 58 SER N N 58 114.338 114.338 117.514 -3.176 25969 5666 1 9 . 1 1 58 58 SER HA H 58 5.138 5.138 4.304 0.834 25969 5667 1 9 . 1 1 58 58 SER C C 58 175.866 175.866 175.027 0.839 25969 5668 1 9 . 1 1 58 58 SER CA C 58 56.084 56.084 59.605 -3.521 25969 5669 1 9 . 1 1 58 58 SER CB C 58 63.977 63.977 63.973 0.004 25969 5670 1 9 . 1 1 58 58 SER H H 58 8.559 8.559 8.453 0.106 25969 5671 1 9 . 1 1 59 59 GLY N N 59 116.880 116.880 108.527 8.353 25969 5672 1 9 . 1 1 59 59 GLY C C 59 172.257 172.257 173.879 -1.622 25969 5673 1 9 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.084 -1.382 25969 5674 1 9 . 1 1 59 59 GLY H H 59 8.919 8.919 8.209 0.710 25969 5675 1 9 . 1 1 60 60 GLN N N 60 121.745 121.745 119.083 2.662 25969 5676 1 9 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.440 -0.049 25969 5677 1 9 . 1 1 60 60 GLN C C 60 177.222 177.222 176.965 0.257 25969 5678 1 9 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.337 -0.332 25969 5679 1 9 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.255 -0.413 25969 5680 1 9 . 1 1 60 60 GLN H H 60 8.575 8.575 8.354 0.221 25969 5681 1 9 . 1 1 61 61 ALA N N 61 128.305 128.305 125.357 2.948 25969 5682 1 9 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.961 -0.562 25969 5683 1 9 . 1 1 61 61 ALA C C 61 178.704 178.704 179.345 -0.641 25969 5684 1 9 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.931 0.358 25969 5685 1 9 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.878 -1.946 25969 5686 1 9 . 1 1 61 61 ALA H H 61 8.576 8.576 8.223 0.353 25969 5687 1 9 . 1 1 62 62 LYS N N 62 114.337 114.337 118.377 -4.040 25969 5688 1 9 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.231 -0.055 25969 5689 1 9 . 1 1 62 62 LYS C C 62 177.327 177.327 177.260 0.067 25969 5690 1 9 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.581 0.495 25969 5691 1 9 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.594 -0.299 25969 5692 1 9 . 1 1 62 62 LYS H H 62 8.272 8.272 8.148 0.124 25969 5693 1 9 . 1 1 63 63 GLY N N 63 107.059 107.059 107.803 -0.744 25969 5694 1 9 . 1 1 63 63 GLY C C 63 173.759 173.759 172.783 0.976 25969 5695 1 9 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.325 0.460 25969 5696 1 9 . 1 1 63 63 GLY H H 63 7.813 7.813 8.201 -0.388 25969 5697 1 9 . 1 1 64 64 ILE N N 64 122.496 122.496 122.307 0.189 25969 5698 1 9 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.452 0.004 25969 5699 1 9 . 1 1 64 64 ILE C C 64 176.033 176.033 176.056 -0.023 25969 5700 1 9 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.739 0.804 25969 5701 1 9 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.131 -2.159 25969 5702 1 9 . 1 1 64 64 ILE H H 64 7.256 7.256 7.382 -0.126 25969 5703 1 9 . 1 1 65 65 LEU N N 65 128.858 128.858 122.666 6.192 25969 5704 1 9 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.154 0.099 25969 5705 1 9 . 1 1 65 65 LEU C C 65 178.203 178.203 176.077 2.126 25969 5706 1 9 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.342 -0.804 25969 5707 1 9 . 1 1 65 65 LEU CB C 65 42.536 42.536 42.241 0.295 25969 5708 1 9 . 1 1 65 65 LEU H H 65 8.417 8.417 8.494 -0.077 25969 5709 1 9 . 1 1 66 66 GLU N N 66 119.109 119.109 122.453 -3.344 25969 5710 1 9 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.517 -0.276 25969 5711 1 9 . 1 1 66 66 GLU C C 66 177.436 177.436 176.406 1.030 25969 5712 1 9 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.479 0.779 25969 5713 1 9 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.922 -2.823 25969 5714 1 9 . 1 1 66 66 GLU H H 66 8.590 8.590 8.365 0.225 25969 5715 1 9 . 1 1 67 67 GLY N N 67 108.490 108.490 111.087 -2.597 25969 5716 1 9 . 1 1 67 67 GLY C C 67 173.551 173.551 172.777 0.774 25969 5717 1 9 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.507 0.614 25969 5718 1 9 . 1 1 67 67 GLY H H 67 9.498 9.498 8.375 1.123 25969 5719 1 9 . 1 1 68 68 LYS N N 68 117.773 117.773 117.681 0.092 25969 5720 1 9 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.060 0.736 25969 5721 1 9 . 1 1 68 68 LYS C C 68 175.637 175.637 174.141 1.496 25969 5722 1 9 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.444 -0.175 25969 5723 1 9 . 1 1 68 68 LYS CB C 68 35.702 35.702 34.569 1.133 25969 5724 1 9 . 1 1 68 68 LYS H H 68 7.604 7.604 7.445 0.159 25969 5725 1 9 . 1 1 69 69 PHE N N 69 114.518 114.518 121.823 -7.305 25969 5726 1 9 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.712 -0.240 25969 5727 1 9 . 1 1 69 69 PHE C C 69 172.591 172.591 174.661 -2.070 25969 5728 1 9 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.796 3.282 25969 5729 1 9 . 1 1 69 69 PHE CB C 69 40.377 40.377 40.429 -0.052 25969 5730 1 9 . 1 1 69 69 PHE H H 69 8.439 8.439 8.070 0.369 25969 5731 1 9 . 1 1 70 70 THR N N 70 115.260 115.260 117.795 -2.535 25969 5732 1 9 . 1 1 70 70 THR HA H 70 4.602 4.602 4.781 -0.179 25969 5733 1 9 . 1 1 70 70 THR C C 70 172.508 172.508 172.547 -0.039 25969 5734 1 9 . 1 1 70 70 THR CA C 70 62.484 62.484 61.282 1.202 25969 5735 1 9 . 1 1 70 70 THR CB C 70 71.367 71.367 71.906 -0.539 25969 5736 1 9 . 1 1 70 70 THR H H 70 8.474 8.474 8.414 0.060 25969 5737 1 9 . 1 1 71 71 LEU N N 71 128.144 128.144 122.121 6.023 25969 5738 1 9 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.632 -0.124 25969 5739 1 9 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.298 0.637 25969 5740 1 9 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.949 0.906 25969 5741 1 9 . 1 1 71 71 LEU H H 71 9.284 9.284 8.033 1.251 25969 5742 1 9 . 1 1 72 72 LYS N N 72 122.603 122.603 120.747 1.856 25969 5743 1 9 . 1 1 72 72 LYS HA H 72 5.388 5.388 5.012 0.376 25969 5744 1 9 . 1 1 72 72 LYS C C 72 171.972 171.972 174.545 -2.573 25969 5745 1 9 . 1 1 72 72 LYS CA C 72 54.402 54.402 53.771 0.631 25969 5746 1 9 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.894 2.698 25969 5747 1 9 . 1 1 72 72 LYS H H 72 9.123 9.123 7.754 1.369 25969 5748 1 9 . 1 1 73 73 ALA N N 73 128.927 128.927 128.159 0.768 25969 5749 1 9 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.501 0.350 25969 5750 1 9 . 1 1 73 73 ALA C C 73 175.324 175.324 175.497 -0.173 25969 5751 1 9 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.718 -0.592 25969 5752 1 9 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.765 -1.288 25969 5753 1 9 . 1 1 73 73 ALA H H 73 9.178 9.178 8.934 0.244 25969 5754 1 9 . 1 1 74 74 VAL N N 74 123.425 123.425 120.627 2.798 25969 5755 1 9 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.016 0.123 25969 5756 1 9 . 1 1 74 74 VAL C C 74 173.425 173.425 174.657 -1.232 25969 5757 1 9 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.448 0.402 25969 5758 1 9 . 1 1 74 74 VAL CB C 74 35.768 35.768 35.906 -0.138 25969 5759 1 9 . 1 1 74 74 VAL H H 74 8.727 8.727 8.858 -0.131 25969 5760 1 9 . 1 1 75 75 ALA N N 75 130.762 130.762 128.962 1.800 25969 5761 1 9 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.430 0.228 25969 5762 1 9 . 1 1 75 75 ALA C C 75 177.327 177.327 178.752 -1.425 25969 5763 1 9 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.191 1.009 25969 5764 1 9 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.570 1.036 25969 5765 1 9 . 1 1 75 75 ALA H H 75 9.164 9.164 7.523 1.641 25969 5766 1 9 . 1 1 76 76 LEU N N 76 119.175 119.175 124.566 -5.391 25969 5767 1 9 . 1 1 76 76 LEU HA H 76 3.794 3.794 3.988 -0.194 25969 5768 1 9 . 1 1 76 76 LEU C C 76 178.036 178.036 177.870 0.166 25969 5769 1 9 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.452 0.824 25969 5770 1 9 . 1 1 76 76 LEU CB C 76 41.846 41.846 41.937 -0.091 25969 5771 1 9 . 1 1 76 76 LEU H H 76 8.269 8.269 8.732 -0.463 25969 5772 1 9 . 1 1 77 77 ASP N N 77 115.777 115.777 115.431 0.346 25969 5773 1 9 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.766 0.030 25969 5774 1 9 . 1 1 77 77 ASP C C 77 176.012 176.012 176.888 -0.876 25969 5775 1 9 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.929 -2.199 25969 5776 1 9 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.196 -0.020 25969 5777 1 9 . 1 1 77 77 ASP H H 77 7.715 7.715 8.096 -0.381 25969 5778 1 9 . 1 1 78 78 ARG N N 78 122.846 122.846 119.392 3.454 25969 5779 1 9 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.084 -0.001 25969 5780 1 9 . 1 1 78 78 ARG C C 78 177.869 177.869 176.886 0.983 25969 5781 1 9 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.489 -1.081 25969 5782 1 9 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.237 0.387 25969 5783 1 9 . 1 1 78 78 ARG H H 78 8.408 8.408 7.492 0.916 25969 5784 1 9 . 1 1 79 79 GLU N N 79 118.091 118.091 118.888 -0.797 25969 5785 1 9 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.051 -0.032 25969 5786 1 9 . 1 1 79 79 GLU C C 79 177.930 177.930 177.107 0.823 25969 5787 1 9 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.356 -0.032 25969 5788 1 9 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.231 -0.097 25969 5789 1 9 . 1 1 79 79 GLU H H 79 7.888 7.888 8.247 -0.359 25969 5790 1 9 . 1 1 80 80 ALA N N 80 120.528 120.528 119.176 1.352 25969 5791 1 9 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.448 -0.346 25969 5792 1 9 . 1 1 80 80 ALA C C 80 178.142 178.142 176.355 1.787 25969 5793 1 9 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.709 0.358 25969 5794 1 9 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.541 -1.269 25969 5795 1 9 . 1 1 80 80 ALA H H 80 7.175 7.175 8.181 -1.006 25969 5796 1 9 . 1 1 81 81 GLU N N 81 115.377 115.377 118.301 -2.924 25969 5797 1 9 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.744 0.018 25969 5798 1 9 . 1 1 81 81 GLU C C 81 171.047 171.047 174.596 -3.549 25969 5799 1 9 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.581 -0.383 25969 5800 1 9 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.766 0.927 25969 5801 1 9 . 1 1 81 81 GLU H H 81 7.457 7.457 7.472 -0.015 25969 5802 1 9 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.286 0.411 25969 5803 1 9 . 1 1 82 82 PRO C C 82 177.636 177.636 176.489 1.147 25969 5804 1 9 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.659 -1.068 25969 5805 1 9 . 1 1 82 82 PRO CB C 82 32.832 32.832 32.118 0.714 25969 5806 1 9 . 1 1 83 83 ARG N N 83 118.488 118.488 117.972 0.516 25969 5807 1 9 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.291 0.283 25969 5808 1 9 . 1 1 83 83 ARG C C 83 176.870 176.870 175.842 1.028 25969 5809 1 9 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.206 -0.163 25969 5810 1 9 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.684 0.492 25969 5811 1 9 . 1 1 83 83 ARG H H 83 8.554 8.554 7.761 0.793 25969 5812 1 9 . 1 1 84 84 VAL N N 84 111.376 111.376 118.914 -7.538 25969 5813 1 9 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.036 -0.009 25969 5814 1 9 . 1 1 84 84 VAL C C 84 174.302 174.302 174.451 -0.149 25969 5815 1 9 . 1 1 84 84 VAL CA C 84 58.543 58.543 60.599 -2.057 25969 5816 1 9 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.995 -0.305 25969 5817 1 9 . 1 1 84 84 VAL H H 84 8.304 8.304 8.249 0.055 25969 5818 1 9 . 1 1 85 85 LEU N N 85 122.000 122.000 121.895 0.105 25969 5819 1 9 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.215 0.113 25969 5820 1 9 . 1 1 85 85 LEU C C 85 175.491 175.491 174.239 1.252 25969 5821 1 9 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.223 -0.357 25969 5822 1 9 . 1 1 85 85 LEU CB C 85 47.122 47.122 47.000 0.122 25969 5823 1 9 . 1 1 85 85 LEU H H 85 8.095 8.095 8.738 -0.642 25969 5824 1 9 . 1 1 86 86 ARG N N 86 119.409 119.409 121.516 -2.107 25969 5825 1 9 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.325 0.145 25969 5826 1 9 . 1 1 86 86 ARG C C 86 174.928 174.928 173.381 1.547 25969 5827 1 9 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.808 -0.606 25969 5828 1 9 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.280 1.355 25969 5829 1 9 . 1 1 86 86 ARG H H 86 8.851 8.851 8.184 0.667 25969 5830 1 9 . 1 1 87 87 LEU N N 87 122.550 122.550 123.959 -1.409 25969 5831 1 9 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.055 0.019 25969 5832 1 9 . 1 1 87 87 LEU C C 87 174.406 174.406 174.270 0.136 25969 5833 1 9 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.901 1.103 25969 5834 1 9 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.368 1.756 25969 5835 1 9 . 1 1 87 87 LEU H H 87 8.798 8.798 8.033 0.765 25969 5836 1 9 . 1 1 88 88 ASN N N 88 125.347 125.347 123.414 1.933 25969 5837 1 9 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.454 -0.031 25969 5838 1 9 . 1 1 88 88 ASN C C 88 176.576 176.576 176.910 -0.334 25969 5839 1 9 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.168 -0.305 25969 5840 1 9 . 1 1 88 88 ASN CB C 88 40.577 40.577 39.935 0.642 25969 5841 1 9 . 1 1 88 88 ASN H H 88 7.376 7.376 8.159 -0.783 25969 5842 1 9 . 1 1 89 89 GLU N N 89 114.953 114.953 118.672 -3.719 25969 5843 1 9 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.335 -0.939 25969 5844 1 9 . 1 1 89 89 GLU C C 89 176.684 176.684 177.197 -0.513 25969 5845 1 9 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.759 -0.219 25969 5846 1 9 . 1 1 89 89 GLU CB C 89 27.870 27.870 29.164 -1.294 25969 5847 1 9 . 1 1 89 89 GLU H H 89 7.586 7.586 8.389 -0.803 25969 5848 1 9 . 1 1 90 90 SER N N 90 117.110 117.110 113.753 3.357 25969 5849 1 9 . 1 1 90 90 SER HA H 90 4.442 4.442 4.452 -0.010 25969 5850 1 9 . 1 1 90 90 SER C C 90 174.051 174.051 174.301 -0.250 25969 5851 1 9 . 1 1 90 90 SER CA C 90 58.895 58.895 58.091 0.804 25969 5852 1 9 . 1 1 90 90 SER CB C 90 63.886 63.886 63.471 0.415 25969 5853 1 9 . 1 1 90 90 SER H H 90 7.385 7.385 7.736 -0.351 25969 5854 1 9 . 1 1 91 91 LEU N N 91 116.559 116.559 118.153 -1.594 25969 5855 1 9 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.043 -0.346 25969 5856 1 9 . 1 1 91 91 LEU C C 91 175.825 175.825 175.721 0.104 25969 5857 1 9 . 1 1 91 91 LEU CA C 91 56.042 56.042 56.060 -0.018 25969 5858 1 9 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.044 -1.339 25969 5859 1 9 . 1 1 91 91 LEU H H 91 8.704 8.704 7.901 0.803 25969 5860 1 9 . 1 1 92 92 THR N N 92 115.529 115.529 116.017 -0.488 25969 5861 1 9 . 1 1 92 92 THR HA H 92 4.254 4.254 4.429 -0.175 25969 5862 1 9 . 1 1 92 92 THR C C 92 173.425 173.425 173.072 0.353 25969 5863 1 9 . 1 1 92 92 THR CA C 92 62.617 62.617 62.700 -0.083 25969 5864 1 9 . 1 1 92 92 THR CB C 92 69.096 69.096 69.475 -0.379 25969 5865 1 9 . 1 1 92 92 THR H H 92 7.704 7.704 8.399 -0.695 25969 5866 1 9 . 1 1 93 93 ALA N N 93 130.459 130.459 131.366 -0.907 25969 5867 1 9 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.355 0.332 25969 5868 1 9 . 1 1 93 93 ALA C C 93 177.201 177.201 175.428 1.773 25969 5869 1 9 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.563 0.699 25969 5870 1 9 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.188 -0.378 25969 5871 1 9 . 1 1 93 93 ALA H H 93 9.002 9.002 8.440 0.562 25969 5872 1 9 . 1 1 94 94 VAL N N 94 117.872 117.872 120.753 -2.881 25969 5873 1 9 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.849 0.055 25969 5874 1 9 . 1 1 94 94 VAL C C 94 173.613 173.613 173.647 -0.034 25969 5875 1 9 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.613 -0.934 25969 5876 1 9 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.221 -0.185 25969 5877 1 9 . 1 1 94 94 VAL H H 94 8.833 8.833 8.235 0.598 25969 5878 1 9 . 1 1 95 95 VAL N N 95 121.842 121.842 128.156 -6.314 25969 5879 1 9 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.863 0.390 25969 5880 1 9 . 1 1 95 95 VAL C C 95 174.552 174.552 173.715 0.837 25969 5881 1 9 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.630 -0.688 25969 5882 1 9 . 1 1 95 95 VAL CB C 95 34.900 34.900 33.737 1.163 25969 5883 1 9 . 1 1 95 95 VAL H H 95 9.286 9.286 8.685 0.601 25969 5884 1 9 . 1 1 96 96 CYS N N 96 126.839 126.839 124.247 2.592 25969 5885 1 9 . 1 1 96 96 CYS HA H 96 5.423 5.423 5.023 0.400 25969 5886 1 9 . 1 1 96 96 CYS C C 96 174.135 174.135 175.449 -1.314 25969 5887 1 9 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.848 -3.579 25969 5888 1 9 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.739 15.716 25969 5889 1 9 . 1 1 96 96 CYS H H 96 9.452 9.452 8.890 0.562 25969 5890 1 9 . 1 1 97 97 GLY N N 97 109.718 109.718 108.419 1.299 25969 5891 1 9 . 1 1 97 97 GLY C C 97 172.639 172.639 173.883 -1.244 25969 5892 1 9 . 1 1 97 97 GLY CA C 97 46.388 46.388 44.922 1.466 25969 5893 1 9 . 1 1 97 97 GLY H H 97 8.355 8.355 8.630 -0.275 25969 5894 1 9 . 1 1 98 98 LYS N N 98 114.844 114.844 120.429 -5.585 25969 5895 1 9 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.493 0.251 25969 5896 1 9 . 1 1 98 98 LYS C C 98 174.051 174.051 174.501 -0.450 25969 5897 1 9 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.277 -0.941 25969 5898 1 9 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.507 0.021 25969 5899 1 9 . 1 1 98 98 LYS H H 98 7.632 7.632 7.805 -0.173 25969 5900 1 9 . 1 1 99 99 MET N N 99 124.801 124.801 127.283 -2.482 25969 5901 1 9 . 1 1 99 99 MET HA H 99 5.017 5.017 4.741 0.276 25969 5902 1 9 . 1 1 99 99 MET C C 99 176.337 176.337 174.989 1.348 25969 5903 1 9 . 1 1 99 99 MET CA C 99 54.803 54.803 54.835 -0.032 25969 5904 1 9 . 1 1 99 99 MET CB C 99 34.646 34.646 34.358 0.288 25969 5905 1 9 . 1 1 99 99 MET H H 99 8.759 8.759 8.779 -0.020 25969 5906 1 9 . 1 1 100 100 LYS N N 100 126.252 126.252 125.774 0.478 25969 5907 1 9 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.250 0.126 25969 5908 1 9 . 1 1 100 100 LYS C C 100 177.222 177.222 177.477 -0.255 25969 5909 1 9 . 1 1 100 100 LYS CA C 100 56.455 56.455 58.202 -1.747 25969 5910 1 9 . 1 1 100 100 LYS CB C 100 32.429 32.429 32.888 -0.459 25969 5911 1 9 . 1 1 100 100 LYS H H 100 8.602 8.602 8.144 0.458 25969 5912 1 9 . 1 1 101 101 GLY N N 101 108.944 108.944 105.922 3.022 25969 5913 1 9 . 1 1 101 101 GLY C C 101 173.613 173.613 173.697 -0.084 25969 5914 1 9 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.145 0.440 25969 5915 1 9 . 1 1 101 101 GLY H H 101 8.385 8.385 7.557 0.828 25969 5916 1 9 . 1 1 102 102 LYS N N 102 118.594 118.594 119.098 -0.504 25969 5917 1 9 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.027 0.387 25969 5918 1 9 . 1 1 102 102 LYS C C 102 176.867 176.867 175.652 1.215 25969 5919 1 9 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.849 -1.978 25969 5920 1 9 . 1 1 102 102 LYS CB C 102 33.023 33.023 32.264 0.759 25969 5921 1 9 . 1 1 102 102 LYS H H 102 8.436 8.436 8.350 0.086 25969 5922 1 9 . 1 1 103 103 GLY N N 103 110.581 110.581 107.894 2.687 25969 5923 1 9 . 1 1 103 103 GLY C C 103 171.631 171.631 172.816 -1.185 25969 5924 1 9 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.714 1.206 25969 5925 1 9 . 1 1 103 103 GLY H H 103 8.443 8.443 8.274 0.169 25969 5926 1 9 . 1 1 104 104 SER N N 104 113.710 113.710 116.646 -2.936 25969 5927 1 9 . 1 1 104 104 SER HA H 104 4.697 4.697 4.653 0.044 25969 5928 1 9 . 1 1 104 104 SER C C 104 174.680 174.680 173.627 1.053 25969 5929 1 9 . 1 1 104 104 SER CA C 104 57.331 57.331 57.166 0.166 25969 5930 1 9 . 1 1 104 104 SER CB C 104 66.178 66.178 66.610 -0.432 25969 5931 1 9 . 1 1 104 104 SER H H 104 8.535 8.535 7.992 0.543 25969 5932 1 9 . 1 1 105 105 CYS N N 105 118.835 118.835 121.541 -2.706 25969 5933 1 9 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.325 0.287 25969 5934 1 9 . 1 1 105 105 CYS C C 105 176.502 176.502 175.558 0.944 25969 5935 1 9 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.322 -3.186 25969 5936 1 9 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.244 13.168 25969 5937 1 9 . 1 1 105 105 CYS H H 105 10.009 10.009 9.113 0.896 25969 5938 1 9 . 1 1 106 106 THR N N 106 107.957 107.957 114.765 -6.808 25969 5939 1 9 . 1 1 106 106 THR HA H 106 4.574 4.574 3.967 0.607 25969 5940 1 9 . 1 1 106 106 THR C C 106 175.178 175.178 174.159 1.019 25969 5941 1 9 . 1 1 106 106 THR CA C 106 61.014 61.014 63.669 -2.655 25969 5942 1 9 . 1 1 106 106 THR CB C 106 68.495 68.495 68.088 0.407 25969 5943 1 9 . 1 1 106 106 THR H H 106 8.030 8.030 8.765 -0.735 25969 5944 1 9 . 1 1 107 107 ASP N N 107 120.763 120.763 117.088 3.675 25969 5945 1 9 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.707 -0.387 25969 5946 1 9 . 1 1 107 107 ASP C C 107 177.264 177.264 175.517 1.747 25969 5947 1 9 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.581 0.423 25969 5948 1 9 . 1 1 107 107 ASP CB C 107 40.844 40.844 44.179 -3.335 25969 5949 1 9 . 1 1 107 107 ASP H H 107 7.531 7.531 7.837 -0.306 25969 5950 1 9 . 1 1 108 108 GLY N N 108 108.602 108.602 109.856 -1.254 25969 5951 1 9 . 1 1 108 108 GLY C C 108 174.698 174.698 173.216 1.482 25969 5952 1 9 . 1 1 108 108 GLY CA C 108 45.653 45.653 44.919 0.734 25969 5953 1 9 . 1 1 108 108 GLY H H 108 8.591 8.591 8.024 0.567 25969 5954 1 9 . 1 1 109 109 GLU N N 109 120.191 120.191 120.584 -0.393 25969 5955 1 9 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.230 0.222 25969 5956 1 9 . 1 1 109 109 GLU C C 109 176.472 176.472 175.270 1.202 25969 5957 1 9 . 1 1 109 109 GLU CA C 109 55.678 55.678 56.207 -0.529 25969 5958 1 9 . 1 1 109 109 GLU CB C 109 30.884 30.884 29.963 0.921 25969 5959 1 9 . 1 1 109 109 GLU H H 109 8.292 8.292 8.230 0.062 25969 5960 1 9 . 1 1 110 110 GLU N N 110 116.857 116.857 122.678 -5.821 25969 5961 1 9 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.297 -0.081 25969 5962 1 9 . 1 1 110 110 GLU C C 110 176.381 176.381 174.581 1.800 25969 5963 1 9 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.801 0.335 25969 5964 1 9 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.726 -0.453 25969 5965 1 9 . 1 1 110 110 GLU H H 110 9.028 9.028 8.625 0.403 25969 5966 1 9 . 1 1 111 111 ILE N N 111 109.164 109.164 110.065 -0.901 25969 5967 1 9 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.756 0.079 25969 5968 1 9 . 1 1 111 111 ILE C C 111 176.868 176.868 173.737 3.131 25969 5969 1 9 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.111 0.031 25969 5970 1 9 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.295 1.820 25969 5971 1 9 . 1 1 111 111 ILE H H 111 7.022 7.022 7.300 -0.278 25969 5972 1 9 . 1 1 112 112 PHE N N 112 118.509 118.509 122.190 -3.681 25969 5973 1 9 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.875 0.237 25969 5974 1 9 . 1 1 112 112 PHE C C 112 174.171 174.171 173.541 0.630 25969 5975 1 9 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.886 1.905 25969 5976 1 9 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.350 3.509 25969 5977 1 9 . 1 1 112 112 PHE H H 112 8.605 8.605 7.979 0.626 25969 5978 1 9 . 1 1 113 113 ARG N N 113 119.908 119.908 122.436 -2.528 25969 5979 1 9 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.477 0.295 25969 5980 1 9 . 1 1 113 113 ARG C C 113 176.930 176.930 174.538 2.392 25969 5981 1 9 . 1 1 113 113 ARG CA C 113 55.404 55.404 54.903 0.501 25969 5982 1 9 . 1 1 113 113 ARG CB C 113 33.431 33.431 33.280 0.151 25969 5983 1 9 . 1 1 113 113 ARG H H 113 9.352 9.352 7.428 1.924 25969 5984 1 9 . 1 1 114 114 GLY N N 114 109.477 109.477 110.939 -1.462 25969 5985 1 9 . 1 1 114 114 GLY C C 114 173.738 173.738 172.805 0.933 25969 5986 1 9 . 1 1 114 114 GLY CA C 114 44.451 44.451 44.623 -0.172 25969 5987 1 9 . 1 1 114 114 GLY H H 114 8.467 8.467 8.497 -0.030 25969 5988 1 9 . 1 1 115 115 ASN N N 115 119.193 119.193 122.036 -2.843 25969 5989 1 9 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.890 -0.156 25969 5990 1 9 . 1 1 115 115 ASN C C 115 173.530 173.530 173.040 0.490 25969 5991 1 9 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.352 0.381 25969 5992 1 9 . 1 1 115 115 ASN CB C 115 39.642 39.642 41.297 -1.655 25969 5993 1 9 . 1 1 115 115 ASN H H 115 8.523 8.523 8.483 0.040 25969 5994 1 9 . 1 1 116 116 ASP N N 116 120.602 120.602 120.515 0.087 25969 5995 1 9 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.041 0.042 25969 5996 1 9 . 1 1 116 116 ASP C C 116 174.030 174.030 174.244 -0.214 25969 5997 1 9 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.813 1.456 25969 5998 1 9 . 1 1 116 116 ASP CB C 116 43.983 43.983 44.071 -0.088 25969 5999 1 9 . 1 1 116 116 ASP H H 116 8.098 8.098 8.392 -0.294 25969 6000 1 9 . 1 1 117 117 ALA N N 117 123.146 123.146 122.245 0.901 25969 6001 1 9 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.527 0.189 25969 6002 1 9 . 1 1 117 117 ALA C C 117 175.345 175.345 176.313 -0.968 25969 6003 1 9 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.476 -0.014 25969 6004 1 9 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.566 1.579 25969 6005 1 9 . 1 1 117 117 ALA H H 117 8.979 8.979 8.469 0.510 25969 6006 1 9 . 1 1 118 118 GLU N N 118 115.917 115.917 115.831 0.086 25969 6007 1 9 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.960 -0.065 25969 6008 1 9 . 1 1 118 118 GLU C C 118 177.181 177.181 174.636 2.545 25969 6009 1 9 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.478 -1.120 25969 6010 1 9 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.439 -0.687 25969 6011 1 9 . 1 1 118 118 GLU H H 118 8.829 8.829 8.766 0.063 25969 6012 1 9 . 1 1 119 119 CYS N N 119 119.476 119.476 116.436 3.040 25969 6013 1 9 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.234 0.236 25969 6014 1 9 . 1 1 119 119 CYS C C 119 174.738 174.738 174.306 0.432 25969 6015 1 9 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.339 -1.175 25969 6016 1 9 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.252 13.206 25969 6017 1 9 . 1 1 119 119 CYS H H 119 8.671 8.671 8.081 0.590 25969 6018 1 9 . 1 1 120 120 ARG N N 120 123.444 123.444 121.787 1.657 25969 6019 1 9 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.009 -0.084 25969 6020 1 9 . 1 1 120 120 ARG C C 120 172.028 172.028 173.171 -1.143 25969 6021 1 9 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.041 0.627 25969 6022 1 9 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.641 0.920 25969 6023 1 9 . 1 1 120 120 ARG H H 120 9.238 9.238 9.206 0.032 25969 6024 1 9 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.713 -0.167 25969 6025 1 9 . 1 1 121 121 PRO C C 121 176.138 176.138 175.459 0.679 25969 6026 1 9 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.111 0.909 25969 6027 1 9 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.982 0.180 25969 6028 1 9 . 1 1 122 122 PHE N N 122 124.392 124.392 125.357 -0.965 25969 6029 1 9 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.795 -0.089 25969 6030 1 9 . 1 1 122 122 PHE C C 122 175.032 175.032 174.283 0.749 25969 6031 1 9 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.328 1.080 25969 6032 1 9 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.791 -2.414 25969 6033 1 9 . 1 1 122 122 PHE H H 122 8.335 8.335 8.751 -0.416 25969 6034 1 9 . 1 1 123 123 THR N N 123 118.912 118.912 113.178 5.734 25969 6035 1 9 . 1 1 123 123 THR HA H 123 4.140 4.140 4.605 -0.465 25969 6036 1 9 . 1 1 123 123 THR C C 123 173.071 173.071 174.195 -1.124 25969 6037 1 9 . 1 1 123 123 THR CA C 123 60.948 60.948 59.837 1.111 25969 6038 1 9 . 1 1 123 123 THR CB C 123 69.430 69.430 69.777 -0.347 25969 6039 1 9 . 1 1 123 123 THR H H 123 8.146 8.146 7.945 0.201 25969 6040 1 10 . 1 1 7 7 ARG N N 7 122.494 122.494 120.304 2.190 25969 6041 1 10 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.064 0.286 25969 6042 1 10 . 1 1 7 7 ARG C C 7 177.037 177.037 174.873 2.164 25969 6043 1 10 . 1 1 7 7 ARG CA C 7 56.724 56.724 57.161 -0.437 25969 6044 1 10 . 1 1 7 7 ARG CB C 7 30.881 30.881 29.409 1.472 25969 6045 1 10 . 1 1 7 7 ARG H H 7 8.649 8.649 8.704 -0.055 25969 6046 1 10 . 1 1 8 8 SER N N 8 117.535 117.535 114.347 3.188 25969 6047 1 10 . 1 1 8 8 SER HA H 8 4.384 4.384 4.275 0.109 25969 6048 1 10 . 1 1 8 8 SER C C 8 174.613 174.613 174.443 0.170 25969 6049 1 10 . 1 1 8 8 SER CA C 8 59.412 59.412 59.021 0.391 25969 6050 1 10 . 1 1 8 8 SER CB C 8 63.686 63.686 63.275 0.411 25969 6051 1 10 . 1 1 8 8 SER H H 8 8.522 8.522 8.027 0.495 25969 6052 1 10 . 1 1 9 9 ALA N N 9 126.336 126.336 128.469 -2.133 25969 6053 1 10 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.538 -0.073 25969 6054 1 10 . 1 1 9 9 ALA C C 9 178.349 178.349 178.722 -0.373 25969 6055 1 10 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.267 0.800 25969 6056 1 10 . 1 1 9 9 ALA CB C 9 18.914 18.914 20.060 -1.146 25969 6057 1 10 . 1 1 9 9 ALA H H 9 8.415 8.415 7.568 0.847 25969 6058 1 10 . 1 1 10 10 ASN N N 10 121.438 121.438 118.185 3.253 25969 6059 1 10 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.765 -0.079 25969 6060 1 10 . 1 1 10 10 ASN C C 10 175.571 175.571 175.431 0.140 25969 6061 1 10 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.505 -0.258 25969 6062 1 10 . 1 1 10 10 ASN CB C 10 39.125 39.125 36.583 2.542 25969 6063 1 10 . 1 1 10 10 ASN H H 10 9.263 9.263 9.232 0.031 25969 6064 1 10 . 1 1 11 11 LEU N N 11 125.021 125.021 120.016 5.005 25969 6065 1 10 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.854 0.767 25969 6066 1 10 . 1 1 11 11 LEU C C 11 178.567 178.567 177.802 0.765 25969 6067 1 10 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.463 1.423 25969 6068 1 10 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.151 1.109 25969 6069 1 10 . 1 1 11 11 LEU H H 11 8.560 8.560 7.755 0.805 25969 6070 1 10 . 1 1 12 12 ARG N N 12 117.977 117.977 118.509 -0.532 25969 6071 1 10 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.094 0.040 25969 6072 1 10 . 1 1 12 12 ARG C C 12 179.350 179.350 178.525 0.825 25969 6073 1 10 . 1 1 12 12 ARG CA C 12 60.347 60.347 58.166 2.181 25969 6074 1 10 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.535 1.156 25969 6075 1 10 . 1 1 12 12 ARG H H 12 8.114 8.114 8.145 -0.031 25969 6076 1 10 . 1 1 13 13 ALA N N 13 123.280 123.280 121.583 1.697 25969 6077 1 10 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.195 0.018 25969 6078 1 10 . 1 1 13 13 ALA C C 13 180.957 180.957 179.541 1.416 25969 6079 1 10 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.567 -0.165 25969 6080 1 10 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.107 -0.238 25969 6081 1 10 . 1 1 13 13 ALA H H 13 7.871 7.871 7.605 0.266 25969 6082 1 10 . 1 1 14 14 ALA N N 14 122.111 122.111 120.898 1.213 25969 6083 1 10 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.911 -0.206 25969 6084 1 10 . 1 1 14 14 ALA C C 14 178.578 178.578 178.872 -0.294 25969 6085 1 10 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.455 0.949 25969 6086 1 10 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.972 -0.712 25969 6087 1 10 . 1 1 14 14 ALA H H 14 7.930 7.930 7.257 0.673 25969 6088 1 10 . 1 1 15 15 HIS N N 15 118.502 118.502 117.663 0.839 25969 6089 1 10 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.229 -0.453 25969 6090 1 10 . 1 1 15 15 HIS C C 15 176.304 176.304 177.052 -0.748 25969 6091 1 10 . 1 1 15 15 HIS CA C 15 60.031 60.031 60.067 -0.036 25969 6092 1 10 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.698 1.672 25969 6093 1 10 . 1 1 15 15 HIS H H 15 8.422 8.422 8.769 -0.347 25969 6094 1 10 . 1 1 16 16 ALA N N 16 120.116 120.116 120.160 -0.044 25969 6095 1 10 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.330 -0.476 25969 6096 1 10 . 1 1 16 16 ALA C C 16 180.644 180.644 178.861 1.783 25969 6097 1 10 . 1 1 16 16 ALA CA C 16 55.471 55.471 54.042 1.429 25969 6098 1 10 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.707 -0.905 25969 6099 1 10 . 1 1 16 16 ALA H H 16 7.980 7.980 7.563 0.417 25969 6100 1 10 . 1 1 17 17 ALA N N 17 121.281 121.281 122.750 -1.469 25969 6101 1 10 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.106 0.070 25969 6102 1 10 . 1 1 17 17 ALA C C 17 180.122 180.122 179.344 0.778 25969 6103 1 10 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.807 -0.338 25969 6104 1 10 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.466 1.674 25969 6105 1 10 . 1 1 17 17 ALA H H 17 7.465 7.465 7.225 0.240 25969 6106 1 10 . 1 1 18 18 LEU N N 18 120.262 120.262 118.264 1.998 25969 6107 1 10 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.089 -0.282 25969 6108 1 10 . 1 1 18 18 LEU C C 18 178.766 178.766 179.385 -0.619 25969 6109 1 10 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.360 1.384 25969 6110 1 10 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.859 0.851 25969 6111 1 10 . 1 1 18 18 LEU H H 18 8.468 8.468 8.509 -0.041 25969 6112 1 10 . 1 1 19 19 LEU N N 19 119.078 119.078 121.417 -2.339 25969 6113 1 10 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.167 -0.305 25969 6114 1 10 . 1 1 19 19 LEU C C 19 179.517 179.517 178.419 1.098 25969 6115 1 10 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.576 -0.567 25969 6116 1 10 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.055 0.390 25969 6117 1 10 . 1 1 19 19 LEU H H 19 8.029 8.029 7.596 0.433 25969 6118 1 10 . 1 1 20 20 GLU N N 20 121.499 121.499 119.612 1.887 25969 6119 1 10 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.019 0.008 25969 6120 1 10 . 1 1 20 20 GLU C C 20 180.289 180.289 179.250 1.039 25969 6121 1 10 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.635 0.244 25969 6122 1 10 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.438 -0.148 25969 6123 1 10 . 1 1 20 20 GLU H H 20 7.895 7.895 8.609 -0.714 25969 6124 1 10 . 1 1 21 21 ASN N N 21 119.066 119.066 117.903 1.163 25969 6125 1 10 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.707 -0.169 25969 6126 1 10 . 1 1 21 21 ASN C C 21 177.368 177.368 177.092 0.276 25969 6127 1 10 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.965 -0.093 25969 6128 1 10 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.823 1.621 25969 6129 1 10 . 1 1 21 21 ASN H H 21 8.373 8.373 8.379 -0.006 25969 6130 1 10 . 1 1 22 22 ALA N N 22 125.274 125.274 123.813 1.461 25969 6131 1 10 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.043 -0.270 25969 6132 1 10 . 1 1 22 22 ALA C C 22 179.402 179.402 179.945 -0.543 25969 6133 1 10 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.261 0.210 25969 6134 1 10 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.615 -0.395 25969 6135 1 10 . 1 1 22 22 ALA H H 22 8.886 8.886 8.457 0.429 25969 6136 1 10 . 1 1 23 23 ARG N N 23 119.945 119.945 116.851 3.094 25969 6137 1 10 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.207 -0.010 25969 6138 1 10 . 1 1 23 23 ARG C C 23 179.726 179.726 178.486 1.240 25969 6139 1 10 . 1 1 23 23 ARG CA C 23 59.812 59.812 58.827 0.986 25969 6140 1 10 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.796 -0.105 25969 6141 1 10 . 1 1 23 23 ARG H H 23 8.168 8.168 8.327 -0.159 25969 6142 1 10 . 1 1 24 24 PHE N N 24 121.222 121.222 120.484 0.738 25969 6143 1 10 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.387 -0.020 25969 6144 1 10 . 1 1 24 24 PHE C C 24 177.410 177.410 177.939 -0.529 25969 6145 1 10 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.597 -0.249 25969 6146 1 10 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.041 -1.135 25969 6147 1 10 . 1 1 24 24 PHE H H 24 7.658 7.658 7.689 -0.031 25969 6148 1 10 . 1 1 25 25 MET N N 25 120.355 120.355 118.361 1.994 25969 6149 1 10 . 1 1 25 25 MET HA H 25 4.300 4.300 4.676 -0.376 25969 6150 1 10 . 1 1 25 25 MET C C 25 179.371 179.371 178.347 1.024 25969 6151 1 10 . 1 1 25 25 MET CA C 25 55.939 55.939 55.821 0.118 25969 6152 1 10 . 1 1 25 25 MET CB C 25 29.424 29.424 31.298 -1.874 25969 6153 1 10 . 1 1 25 25 MET H H 25 8.358 8.358 9.118 -0.760 25969 6154 1 10 . 1 1 26 26 GLU N N 26 120.164 120.164 120.207 -0.043 25969 6155 1 10 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.305 0.033 25969 6156 1 10 . 1 1 26 26 GLU C C 26 179.934 179.934 179.776 0.158 25969 6157 1 10 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.649 0.404 25969 6158 1 10 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.552 -0.068 25969 6159 1 10 . 1 1 26 26 GLU H H 26 8.441 8.441 8.477 -0.036 25969 6160 1 10 . 1 1 27 27 GLN N N 27 121.309 121.309 118.769 2.540 25969 6161 1 10 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.268 -0.136 25969 6162 1 10 . 1 1 27 27 GLN C C 27 178.307 178.307 178.194 0.113 25969 6163 1 10 . 1 1 27 27 GLN CA C 27 58.610 58.610 57.827 0.783 25969 6164 1 10 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.701 -0.613 25969 6165 1 10 . 1 1 27 27 GLN H H 27 8.001 8.001 8.236 -0.235 25969 6166 1 10 . 1 1 28 28 PHE N N 28 124.569 124.569 122.039 2.530 25969 6167 1 10 . 1 1 28 28 PHE HA H 28 3.814 3.814 4.037 -0.223 25969 6168 1 10 . 1 1 28 28 PHE C C 28 177.717 177.717 177.578 0.139 25969 6169 1 10 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.668 0.524 25969 6170 1 10 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.022 0.321 25969 6171 1 10 . 1 1 28 28 PHE H H 28 8.760 8.760 8.370 0.391 25969 6172 1 10 . 1 1 29 29 TYR N N 29 121.726 121.726 119.858 1.868 25969 6173 1 10 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.282 -0.487 25969 6174 1 10 . 1 1 29 29 TYR C C 29 179.079 179.079 176.702 2.377 25969 6175 1 10 . 1 1 29 29 TYR CA C 29 60.948 60.948 60.994 -0.046 25969 6176 1 10 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.662 0.045 25969 6177 1 10 . 1 1 29 29 TYR H H 29 8.956 8.956 8.410 0.546 25969 6178 1 10 . 1 1 30 30 ALA N N 30 121.142 121.142 120.263 0.879 25969 6179 1 10 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.066 -0.018 25969 6180 1 10 . 1 1 30 30 ALA C C 30 174.781 174.781 178.528 -3.747 25969 6181 1 10 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.187 0.683 25969 6182 1 10 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.267 -0.398 25969 6183 1 10 . 1 1 30 30 ALA H H 30 8.063 8.063 7.735 0.328 25969 6184 1 10 . 1 1 31 31 LYS N N 31 114.745 114.745 116.067 -1.322 25969 6185 1 10 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.221 -0.033 25969 6186 1 10 . 1 1 31 31 LYS C C 31 177.744 177.744 177.447 0.297 25969 6187 1 10 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.575 -0.167 25969 6188 1 10 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.354 -0.179 25969 6189 1 10 . 1 1 31 31 LYS H H 31 7.172 7.172 7.993 -0.821 25969 6190 1 10 . 1 1 32 32 LYS N N 32 117.388 117.388 117.163 0.225 25969 6191 1 10 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.275 -0.162 25969 6192 1 10 . 1 1 32 32 LYS C C 32 177.747 177.747 176.903 0.844 25969 6193 1 10 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.378 -0.573 25969 6194 1 10 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.345 -0.447 25969 6195 1 10 . 1 1 32 32 LYS H H 32 8.154 8.154 7.772 0.382 25969 6196 1 10 . 1 1 33 33 GLY N N 33 109.017 109.017 105.883 3.134 25969 6197 1 10 . 1 1 33 33 GLY C C 33 171.798 171.798 173.641 -1.843 25969 6198 1 10 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.804 -0.153 25969 6199 1 10 . 1 1 33 33 GLY H H 33 8.945 8.945 8.264 0.681 25969 6200 1 10 . 1 1 34 34 SER N N 34 110.165 110.165 114.398 -4.233 25969 6201 1 10 . 1 1 34 34 SER HA H 34 4.136 4.136 5.233 -1.097 25969 6202 1 10 . 1 1 34 34 SER C C 34 172.862 172.862 173.732 -0.870 25969 6203 1 10 . 1 1 34 34 SER CA C 34 56.673 56.673 58.133 -1.460 25969 6204 1 10 . 1 1 34 34 SER CB C 34 64.621 64.621 66.131 -1.510 25969 6205 1 10 . 1 1 34 34 SER H H 34 6.756 6.756 7.927 -1.171 25969 6206 1 10 . 1 1 35 35 PHE N N 35 121.132 121.132 121.605 -0.473 25969 6207 1 10 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.745 0.369 25969 6208 1 10 . 1 1 35 35 PHE C C 35 172.888 172.888 175.358 -2.470 25969 6209 1 10 . 1 1 35 35 PHE CA C 35 59.260 59.260 58.677 0.583 25969 6210 1 10 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.058 0.430 25969 6211 1 10 . 1 1 35 35 PHE H H 35 9.403 9.403 8.907 0.496 25969 6212 1 10 . 1 1 36 36 LYS N N 36 114.841 114.841 121.544 -6.703 25969 6213 1 10 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.339 0.045 25969 6214 1 10 . 1 1 36 36 LYS C C 36 177.118 177.118 177.147 -0.029 25969 6215 1 10 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.875 -0.603 25969 6216 1 10 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.304 -0.207 25969 6217 1 10 . 1 1 36 36 LYS H H 36 8.536 8.536 7.953 0.583 25969 6218 1 10 . 1 1 37 37 LEU N N 37 124.789 124.789 122.668 2.121 25969 6219 1 10 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.654 -0.204 25969 6220 1 10 . 1 1 37 37 LEU C C 37 177.535 177.535 177.432 0.103 25969 6221 1 10 . 1 1 37 37 LEU CA C 37 57.742 57.742 56.044 1.698 25969 6222 1 10 . 1 1 37 37 LEU CB C 37 44.251 44.251 41.789 2.462 25969 6223 1 10 . 1 1 37 37 LEU H H 37 8.503 8.503 8.404 0.099 25969 6224 1 10 . 1 1 38 38 THR N N 38 108.556 108.556 111.629 -3.073 25969 6225 1 10 . 1 1 38 38 THR HA H 38 4.619 4.619 4.477 0.142 25969 6226 1 10 . 1 1 38 38 THR C C 38 173.947 173.947 172.835 1.112 25969 6227 1 10 . 1 1 38 38 THR CA C 38 58.944 58.944 59.544 -0.600 25969 6228 1 10 . 1 1 38 38 THR CB C 38 71.818 71.818 70.059 1.759 25969 6229 1 10 . 1 1 38 38 THR H H 38 8.189 8.189 7.612 0.577 25969 6230 1 10 . 1 1 39 39 SER N N 39 110.757 110.757 120.117 -9.360 25969 6231 1 10 . 1 1 39 39 SER HA H 39 4.057 4.057 4.223 -0.166 25969 6232 1 10 . 1 1 39 39 SER C C 39 174.904 174.904 174.917 -0.013 25969 6233 1 10 . 1 1 39 39 SER CA C 39 60.938 60.938 60.462 0.477 25969 6234 1 10 . 1 1 39 39 SER CB C 39 63.218 63.218 63.303 -0.085 25969 6235 1 10 . 1 1 39 39 SER H H 39 8.590 8.590 8.587 0.003 25969 6236 1 10 . 1 1 40 40 THR N N 40 129.807 129.807 113.169 16.638 25969 6237 1 10 . 1 1 40 40 THR HA H 40 4.453 4.453 3.851 0.602 25969 6238 1 10 . 1 1 40 40 THR C C 40 174.928 174.928 172.967 1.961 25969 6239 1 10 . 1 1 40 40 THR CA C 40 60.351 60.351 62.998 -2.647 25969 6240 1 10 . 1 1 40 40 THR CB C 40 69.910 69.910 67.548 2.362 25969 6241 1 10 . 1 1 40 40 THR H H 40 7.570 7.570 8.405 -0.835 25969 6242 1 10 . 1 1 41 41 LYS N N 41 125.614 125.614 119.712 5.902 25969 6243 1 10 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.609 0.103 25969 6244 1 10 . 1 1 41 41 LYS C C 41 174.907 174.907 174.283 0.624 25969 6245 1 10 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.831 0.907 25969 6246 1 10 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.879 1.163 25969 6247 1 10 . 1 1 41 41 LYS H H 41 7.425 7.425 7.781 -0.356 25969 6248 1 10 . 1 1 42 42 TRP N N 42 124.827 124.827 123.167 1.660 25969 6249 1 10 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.097 0.005 25969 6250 1 10 . 1 1 42 42 TRP C C 42 173.384 173.384 174.665 -1.281 25969 6251 1 10 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.949 1.453 25969 6252 1 10 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.721 0.170 25969 6253 1 10 . 1 1 42 42 TRP H H 42 8.590 8.590 8.691 -0.101 25969 6254 1 10 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.446 0.001 25969 6255 1 10 . 1 1 43 43 PRO C C 43 174.990 174.990 176.103 -1.113 25969 6256 1 10 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.672 -0.121 25969 6257 1 10 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.211 -0.116 25969 6258 1 10 . 1 1 44 44 GLU N N 44 120.080 120.080 122.285 -2.205 25969 6259 1 10 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.127 -0.162 25969 6260 1 10 . 1 1 44 44 GLU C C 44 175.699 175.699 176.405 -0.706 25969 6261 1 10 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.379 -0.173 25969 6262 1 10 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.661 -1.079 25969 6263 1 10 . 1 1 44 44 GLU H H 44 8.134 8.134 8.436 -0.302 25969 6264 1 10 . 1 1 45 45 LEU N N 45 125.972 125.972 123.459 2.513 25969 6265 1 10 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.686 -0.723 25969 6266 1 10 . 1 1 45 45 LEU C C 45 176.242 176.242 175.485 0.757 25969 6267 1 10 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.754 -1.023 25969 6268 1 10 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.605 -0.293 25969 6269 1 10 . 1 1 45 45 LEU H H 45 8.363 8.363 8.137 0.226 25969 6270 1 10 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.213 -0.039 25969 6271 1 10 . 1 1 46 46 PRO C C 46 177.702 177.702 176.110 1.592 25969 6272 1 10 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.590 0.230 25969 6273 1 10 . 1 1 46 46 PRO CB C 46 31.561 31.561 32.124 -0.563 25969 6274 1 10 . 1 1 47 47 VAL N N 47 119.474 119.474 117.906 1.568 25969 6275 1 10 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.917 0.318 25969 6276 1 10 . 1 1 47 47 VAL C C 47 175.178 175.178 175.266 -0.088 25969 6277 1 10 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.630 -0.614 25969 6278 1 10 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.877 -0.729 25969 6279 1 10 . 1 1 47 47 VAL H H 47 7.836 7.836 8.020 -0.184 25969 6280 1 10 . 1 1 48 48 LYS N N 48 124.385 124.385 123.376 1.009 25969 6281 1 10 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.610 -0.301 25969 6282 1 10 . 1 1 48 48 LYS C C 48 176.534 176.534 175.487 1.047 25969 6283 1 10 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.241 0.900 25969 6284 1 10 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.542 0.290 25969 6285 1 10 . 1 1 48 48 LYS H H 48 8.638 8.638 8.365 0.273 25969 6286 1 10 . 1 1 49 49 GLU N N 49 118.262 118.262 117.847 0.415 25969 6287 1 10 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.629 0.602 25969 6288 1 10 . 1 1 49 49 GLU C C 49 174.552 174.552 174.367 0.185 25969 6289 1 10 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.831 -0.560 25969 6290 1 10 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.628 1.669 25969 6291 1 10 . 1 1 49 49 GLU H H 49 7.473 7.473 7.680 -0.207 25969 6292 1 10 . 1 1 50 50 ALA N N 50 124.186 124.186 128.303 -4.117 25969 6293 1 10 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.545 -0.094 25969 6294 1 10 . 1 1 50 50 ALA C C 50 177.890 177.890 176.678 1.212 25969 6295 1 10 . 1 1 50 50 ALA CA C 50 53.133 53.133 53.183 -0.050 25969 6296 1 10 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.496 3.117 25969 6297 1 10 . 1 1 50 50 ALA H H 50 8.902 8.902 8.969 -0.067 25969 6298 1 10 . 1 1 51 51 GLY N N 51 109.041 109.041 104.742 4.299 25969 6299 1 10 . 1 1 51 51 GLY C C 51 173.759 173.759 174.594 -0.835 25969 6300 1 10 . 1 1 51 51 GLY CA C 51 47.657 47.657 45.869 1.788 25969 6301 1 10 . 1 1 51 51 GLY H H 51 9.113 9.113 8.035 1.078 25969 6302 1 10 . 1 1 52 52 GLY N N 52 104.272 104.272 107.296 -3.024 25969 6303 1 10 . 1 1 52 52 GLY C C 52 174.156 174.156 172.988 1.168 25969 6304 1 10 . 1 1 52 52 GLY CA C 52 45.520 45.520 44.688 0.832 25969 6305 1 10 . 1 1 52 52 GLY H H 52 8.873 8.873 8.563 0.310 25969 6306 1 10 . 1 1 53 53 PHE N N 53 120.324 120.324 119.606 0.718 25969 6307 1 10 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.548 -0.391 25969 6308 1 10 . 1 1 53 53 PHE C C 53 175.574 175.574 174.143 1.431 25969 6309 1 10 . 1 1 53 53 PHE CA C 53 56.940 56.940 54.791 2.148 25969 6310 1 10 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.264 -1.885 25969 6311 1 10 . 1 1 53 53 PHE H H 53 8.278 8.278 7.645 0.633 25969 6312 1 10 . 1 1 54 54 CYS N N 54 116.465 116.465 117.784 -1.319 25969 6313 1 10 . 1 1 54 54 CYS HA H 54 5.660 5.660 5.062 0.598 25969 6314 1 10 . 1 1 54 54 CYS C C 54 173.092 173.092 173.351 -0.259 25969 6315 1 10 . 1 1 54 54 CYS CA C 54 54.997 54.997 56.021 -1.024 25969 6316 1 10 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.104 15.392 25969 6317 1 10 . 1 1 54 54 CYS H H 54 9.911 9.911 9.302 0.609 25969 6318 1 10 . 1 1 55 55 ILE N N 55 119.910 119.910 123.228 -3.318 25969 6319 1 10 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.187 0.124 25969 6320 1 10 . 1 1 55 55 ILE C C 55 175.366 175.366 175.936 -0.570 25969 6321 1 10 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.123 0.357 25969 6322 1 10 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.048 -0.349 25969 6323 1 10 . 1 1 55 55 ILE H H 55 7.971 7.971 8.429 -0.458 25969 6324 1 10 . 1 1 56 56 ARG N N 56 122.445 122.445 121.582 0.863 25969 6325 1 10 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.721 -0.100 25969 6326 1 10 . 1 1 56 56 ARG C C 56 174.948 174.948 174.287 0.661 25969 6327 1 10 . 1 1 56 56 ARG CA C 56 53.467 53.467 54.267 -0.800 25969 6328 1 10 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.043 1.367 25969 6329 1 10 . 1 1 56 56 ARG H H 56 8.927 8.927 8.283 0.644 25969 6330 1 10 . 1 1 57 57 MET N N 57 119.875 119.875 120.330 -0.455 25969 6331 1 10 . 1 1 57 57 MET HA H 57 4.574 4.574 4.399 0.175 25969 6332 1 10 . 1 1 57 57 MET C C 57 175.845 175.845 175.945 -0.100 25969 6333 1 10 . 1 1 57 57 MET CA C 57 55.204 55.204 56.593 -1.389 25969 6334 1 10 . 1 1 57 57 MET CB C 57 32.162 32.162 33.847 -1.685 25969 6335 1 10 . 1 1 57 57 MET H H 57 9.022 9.022 8.773 0.249 25969 6336 1 10 . 1 1 58 58 SER N N 58 114.338 114.338 117.758 -3.420 25969 6337 1 10 . 1 1 58 58 SER HA H 58 5.138 5.138 4.342 0.796 25969 6338 1 10 . 1 1 58 58 SER C C 58 175.866 175.866 175.093 0.773 25969 6339 1 10 . 1 1 58 58 SER CA C 58 56.084 56.084 60.074 -3.990 25969 6340 1 10 . 1 1 58 58 SER CB C 58 63.977 63.977 63.923 0.054 25969 6341 1 10 . 1 1 58 58 SER H H 58 8.559 8.559 8.550 0.009 25969 6342 1 10 . 1 1 59 59 GLY N N 59 116.880 116.880 108.664 8.216 25969 6343 1 10 . 1 1 59 59 GLY C C 59 172.257 172.257 173.761 -1.504 25969 6344 1 10 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.168 -1.466 25969 6345 1 10 . 1 1 59 59 GLY H H 59 8.919 8.919 8.118 0.801 25969 6346 1 10 . 1 1 60 60 GLN N N 60 121.745 121.745 119.189 2.556 25969 6347 1 10 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.502 -0.111 25969 6348 1 10 . 1 1 60 60 GLN C C 60 177.222 177.222 177.165 0.057 25969 6349 1 10 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.042 -0.037 25969 6350 1 10 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.307 -0.465 25969 6351 1 10 . 1 1 60 60 GLN H H 60 8.575 8.575 8.417 0.158 25969 6352 1 10 . 1 1 61 61 ALA N N 61 128.305 128.305 125.687 2.618 25969 6353 1 10 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.920 -0.521 25969 6354 1 10 . 1 1 61 61 ALA C C 61 178.704 178.704 179.490 -0.786 25969 6355 1 10 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.648 0.641 25969 6356 1 10 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.791 -1.859 25969 6357 1 10 . 1 1 61 61 ALA H H 61 8.576 8.576 8.089 0.487 25969 6358 1 10 . 1 1 62 62 LYS N N 62 114.337 114.337 118.353 -4.016 25969 6359 1 10 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.235 -0.059 25969 6360 1 10 . 1 1 62 62 LYS C C 62 177.327 177.327 177.127 0.200 25969 6361 1 10 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.711 0.366 25969 6362 1 10 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.537 -0.242 25969 6363 1 10 . 1 1 62 62 LYS H H 62 8.272 8.272 8.097 0.175 25969 6364 1 10 . 1 1 63 63 GLY N N 63 107.059 107.059 107.350 -0.291 25969 6365 1 10 . 1 1 63 63 GLY C C 63 173.759 173.759 173.583 0.176 25969 6366 1 10 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.210 0.575 25969 6367 1 10 . 1 1 63 63 GLY H H 63 7.813 7.813 8.006 -0.193 25969 6368 1 10 . 1 1 64 64 ILE N N 64 122.496 122.496 121.146 1.350 25969 6369 1 10 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.317 0.139 25969 6370 1 10 . 1 1 64 64 ILE C C 64 176.033 176.033 175.991 0.042 25969 6371 1 10 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.400 1.143 25969 6372 1 10 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.591 -2.619 25969 6373 1 10 . 1 1 64 64 ILE H H 64 7.256 7.256 7.243 0.013 25969 6374 1 10 . 1 1 65 65 LEU N N 65 128.858 128.858 123.409 5.449 25969 6375 1 10 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.164 0.089 25969 6376 1 10 . 1 1 65 65 LEU C C 65 178.203 178.203 175.989 2.214 25969 6377 1 10 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.347 -0.809 25969 6378 1 10 . 1 1 65 65 LEU CB C 65 42.536 42.536 41.942 0.594 25969 6379 1 10 . 1 1 65 65 LEU H H 65 8.417 8.417 8.443 -0.026 25969 6380 1 10 . 1 1 66 66 GLU N N 66 119.109 119.109 122.111 -3.002 25969 6381 1 10 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.524 -0.283 25969 6382 1 10 . 1 1 66 66 GLU C C 66 177.436 177.436 176.968 0.468 25969 6383 1 10 . 1 1 66 66 GLU CA C 66 57.258 57.258 55.974 1.284 25969 6384 1 10 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.830 -2.731 25969 6385 1 10 . 1 1 66 66 GLU H H 66 8.590 8.590 8.447 0.143 25969 6386 1 10 . 1 1 67 67 GLY N N 67 108.490 108.490 110.752 -2.262 25969 6387 1 10 . 1 1 67 67 GLY C C 67 173.551 173.551 172.947 0.604 25969 6388 1 10 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.463 0.658 25969 6389 1 10 . 1 1 67 67 GLY H H 67 9.498 9.498 8.464 1.034 25969 6390 1 10 . 1 1 68 68 LYS N N 68 117.773 117.773 119.593 -1.820 25969 6391 1 10 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.366 0.430 25969 6392 1 10 . 1 1 68 68 LYS C C 68 175.637 175.637 174.382 1.255 25969 6393 1 10 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.662 -0.393 25969 6394 1 10 . 1 1 68 68 LYS CB C 68 35.702 35.702 35.080 0.622 25969 6395 1 10 . 1 1 68 68 LYS H H 68 7.604 7.604 7.491 0.113 25969 6396 1 10 . 1 1 69 69 PHE N N 69 114.518 114.518 122.909 -8.391 25969 6397 1 10 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.481 -0.009 25969 6398 1 10 . 1 1 69 69 PHE C C 69 172.591 172.591 174.305 -1.714 25969 6399 1 10 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.150 3.928 25969 6400 1 10 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.641 0.736 25969 6401 1 10 . 1 1 69 69 PHE H H 69 8.439 8.439 8.449 -0.010 25969 6402 1 10 . 1 1 70 70 THR N N 70 115.260 115.260 117.821 -2.561 25969 6403 1 10 . 1 1 70 70 THR HA H 70 4.602 4.602 4.823 -0.221 25969 6404 1 10 . 1 1 70 70 THR C C 70 172.508 172.508 172.547 -0.039 25969 6405 1 10 . 1 1 70 70 THR CA C 70 62.484 62.484 61.795 0.689 25969 6406 1 10 . 1 1 70 70 THR CB C 70 71.367 71.367 72.109 -0.742 25969 6407 1 10 . 1 1 70 70 THR H H 70 8.474 8.474 8.518 -0.044 25969 6408 1 10 . 1 1 71 71 LEU N N 71 128.144 128.144 122.178 5.966 25969 6409 1 10 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.784 -0.276 25969 6410 1 10 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.475 0.460 25969 6411 1 10 . 1 1 71 71 LEU CB C 71 46.855 46.855 46.002 0.853 25969 6412 1 10 . 1 1 71 71 LEU H H 71 9.284 9.284 8.131 1.153 25969 6413 1 10 . 1 1 72 72 LYS N N 72 122.603 122.603 120.598 2.005 25969 6414 1 10 . 1 1 72 72 LYS HA H 72 5.388 5.388 5.091 0.297 25969 6415 1 10 . 1 1 72 72 LYS C C 72 171.972 171.972 174.597 -2.625 25969 6416 1 10 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.218 0.184 25969 6417 1 10 . 1 1 72 72 LYS CB C 72 38.592 38.592 36.078 2.514 25969 6418 1 10 . 1 1 72 72 LYS H H 72 9.123 9.123 7.889 1.234 25969 6419 1 10 . 1 1 73 73 ALA N N 73 128.927 128.927 128.708 0.219 25969 6420 1 10 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.554 0.297 25969 6421 1 10 . 1 1 73 73 ALA C C 73 175.324 175.324 175.612 -0.288 25969 6422 1 10 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.566 -0.440 25969 6423 1 10 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.568 -1.092 25969 6424 1 10 . 1 1 73 73 ALA H H 73 9.178 9.178 9.003 0.175 25969 6425 1 10 . 1 1 74 74 VAL N N 74 123.425 123.425 120.529 2.896 25969 6426 1 10 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.083 0.056 25969 6427 1 10 . 1 1 74 74 VAL C C 74 173.425 173.425 174.461 -1.036 25969 6428 1 10 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.129 0.721 25969 6429 1 10 . 1 1 74 74 VAL CB C 74 35.768 35.768 36.255 -0.487 25969 6430 1 10 . 1 1 74 74 VAL H H 74 8.727 8.727 8.779 -0.052 25969 6431 1 10 . 1 1 75 75 ALA N N 75 130.762 130.762 127.900 2.862 25969 6432 1 10 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.423 0.235 25969 6433 1 10 . 1 1 75 75 ALA C C 75 177.327 177.327 178.901 -1.574 25969 6434 1 10 . 1 1 75 75 ALA CA C 75 53.200 53.200 51.891 1.309 25969 6435 1 10 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.902 0.704 25969 6436 1 10 . 1 1 75 75 ALA H H 75 9.164 9.164 7.407 1.757 25969 6437 1 10 . 1 1 76 76 LEU N N 76 119.175 119.175 123.267 -4.092 25969 6438 1 10 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.047 -0.253 25969 6439 1 10 . 1 1 76 76 LEU C C 76 178.036 178.036 177.856 0.180 25969 6440 1 10 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.300 0.976 25969 6441 1 10 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.054 -0.208 25969 6442 1 10 . 1 1 76 76 LEU H H 76 8.269 8.269 8.840 -0.571 25969 6443 1 10 . 1 1 77 77 ASP N N 77 115.777 115.777 115.587 0.190 25969 6444 1 10 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.759 0.037 25969 6445 1 10 . 1 1 77 77 ASP C C 77 176.012 176.012 176.755 -0.743 25969 6446 1 10 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.980 -2.248 25969 6447 1 10 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.361 -0.185 25969 6448 1 10 . 1 1 77 77 ASP H H 77 7.715 7.715 8.229 -0.514 25969 6449 1 10 . 1 1 78 78 ARG N N 78 122.846 122.846 119.835 3.011 25969 6450 1 10 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.071 0.012 25969 6451 1 10 . 1 1 78 78 ARG C C 78 177.869 177.869 176.878 0.991 25969 6452 1 10 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.347 -0.939 25969 6453 1 10 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.158 0.466 25969 6454 1 10 . 1 1 78 78 ARG H H 78 8.408 8.408 7.234 1.174 25969 6455 1 10 . 1 1 79 79 GLU N N 79 118.091 118.091 118.657 -0.566 25969 6456 1 10 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.042 -0.023 25969 6457 1 10 . 1 1 79 79 GLU C C 79 177.930 177.930 177.121 0.809 25969 6458 1 10 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.407 -0.083 25969 6459 1 10 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.251 -0.117 25969 6460 1 10 . 1 1 79 79 GLU H H 79 7.888 7.888 8.305 -0.417 25969 6461 1 10 . 1 1 80 80 ALA N N 80 120.528 120.528 118.768 1.760 25969 6462 1 10 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.448 -0.346 25969 6463 1 10 . 1 1 80 80 ALA C C 80 178.142 178.142 176.286 1.856 25969 6464 1 10 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.809 0.258 25969 6465 1 10 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.770 -1.498 25969 6466 1 10 . 1 1 80 80 ALA H H 80 7.175 7.175 8.141 -0.966 25969 6467 1 10 . 1 1 81 81 GLU N N 81 115.377 115.377 117.482 -2.105 25969 6468 1 10 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.879 -0.117 25969 6469 1 10 . 1 1 81 81 GLU C C 81 171.047 171.047 175.040 -3.993 25969 6470 1 10 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.573 -0.375 25969 6471 1 10 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.291 1.402 25969 6472 1 10 . 1 1 81 81 GLU H H 81 7.457 7.457 7.494 -0.037 25969 6473 1 10 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.201 0.496 25969 6474 1 10 . 1 1 82 82 PRO C C 82 177.636 177.636 177.091 0.545 25969 6475 1 10 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.557 -0.966 25969 6476 1 10 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.966 0.866 25969 6477 1 10 . 1 1 83 83 ARG N N 83 118.488 118.488 118.269 0.219 25969 6478 1 10 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.655 -0.081 25969 6479 1 10 . 1 1 83 83 ARG C C 83 176.870 176.870 175.631 1.239 25969 6480 1 10 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.145 -0.101 25969 6481 1 10 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.649 0.527 25969 6482 1 10 . 1 1 83 83 ARG H H 83 8.554 8.554 8.070 0.484 25969 6483 1 10 . 1 1 84 84 VAL N N 84 111.376 111.376 119.892 -8.516 25969 6484 1 10 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.077 -0.050 25969 6485 1 10 . 1 1 84 84 VAL C C 84 174.302 174.302 174.225 0.077 25969 6486 1 10 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.912 -1.369 25969 6487 1 10 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.794 -0.104 25969 6488 1 10 . 1 1 84 84 VAL H H 84 8.304 8.304 8.551 -0.247 25969 6489 1 10 . 1 1 85 85 LEU N N 85 122.000 122.000 122.715 -0.715 25969 6490 1 10 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.142 0.186 25969 6491 1 10 . 1 1 85 85 LEU C C 85 175.491 175.491 174.202 1.289 25969 6492 1 10 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.069 -0.203 25969 6493 1 10 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.757 0.365 25969 6494 1 10 . 1 1 85 85 LEU H H 85 8.095 8.095 8.903 -0.808 25969 6495 1 10 . 1 1 86 86 ARG N N 86 119.409 119.409 121.600 -2.191 25969 6496 1 10 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.356 0.114 25969 6497 1 10 . 1 1 86 86 ARG C C 86 174.928 174.928 173.432 1.496 25969 6498 1 10 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.937 -0.735 25969 6499 1 10 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.380 1.255 25969 6500 1 10 . 1 1 86 86 ARG H H 86 8.851 8.851 8.225 0.626 25969 6501 1 10 . 1 1 87 87 LEU N N 87 122.550 122.550 124.304 -1.754 25969 6502 1 10 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.044 0.030 25969 6503 1 10 . 1 1 87 87 LEU C C 87 174.406 174.406 174.449 -0.043 25969 6504 1 10 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.896 1.108 25969 6505 1 10 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.178 1.946 25969 6506 1 10 . 1 1 87 87 LEU H H 87 8.798 8.798 8.054 0.744 25969 6507 1 10 . 1 1 88 88 ASN N N 88 125.347 125.347 123.664 1.683 25969 6508 1 10 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.523 -0.100 25969 6509 1 10 . 1 1 88 88 ASN C C 88 176.576 176.576 176.477 0.099 25969 6510 1 10 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.894 -1.031 25969 6511 1 10 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.415 0.162 25969 6512 1 10 . 1 1 88 88 ASN H H 88 7.376 7.376 8.344 -0.968 25969 6513 1 10 . 1 1 89 89 GLU N N 89 114.953 114.953 119.003 -4.050 25969 6514 1 10 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.278 -0.882 25969 6515 1 10 . 1 1 89 89 GLU C C 89 176.684 176.684 176.747 -0.063 25969 6516 1 10 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.960 -0.420 25969 6517 1 10 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.792 -0.922 25969 6518 1 10 . 1 1 89 89 GLU H H 89 7.586 7.586 8.519 -0.933 25969 6519 1 10 . 1 1 90 90 SER N N 90 117.110 117.110 114.335 2.775 25969 6520 1 10 . 1 1 90 90 SER HA H 90 4.442 4.442 4.354 0.088 25969 6521 1 10 . 1 1 90 90 SER C C 90 174.051 174.051 175.063 -1.012 25969 6522 1 10 . 1 1 90 90 SER CA C 90 58.895 58.895 57.933 0.962 25969 6523 1 10 . 1 1 90 90 SER CB C 90 63.886 63.886 63.301 0.585 25969 6524 1 10 . 1 1 90 90 SER H H 90 7.385 7.385 8.004 -0.619 25969 6525 1 10 . 1 1 91 91 LEU N N 91 116.559 116.559 119.501 -2.942 25969 6526 1 10 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.040 -0.343 25969 6527 1 10 . 1 1 91 91 LEU C C 91 175.825 175.825 175.335 0.490 25969 6528 1 10 . 1 1 91 91 LEU CA C 91 56.042 56.042 56.058 -0.016 25969 6529 1 10 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.007 -1.302 25969 6530 1 10 . 1 1 91 91 LEU H H 91 8.704 8.704 7.737 0.967 25969 6531 1 10 . 1 1 92 92 THR N N 92 115.529 115.529 114.420 1.109 25969 6532 1 10 . 1 1 92 92 THR HA H 92 4.254 4.254 4.407 -0.153 25969 6533 1 10 . 1 1 92 92 THR C C 92 173.425 173.425 173.156 0.269 25969 6534 1 10 . 1 1 92 92 THR CA C 92 62.617 62.617 62.662 -0.045 25969 6535 1 10 . 1 1 92 92 THR CB C 92 69.096 69.096 69.504 -0.408 25969 6536 1 10 . 1 1 92 92 THR H H 92 7.704 7.704 7.693 0.011 25969 6537 1 10 . 1 1 93 93 ALA N N 93 130.459 130.459 131.094 -0.635 25969 6538 1 10 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.426 0.261 25969 6539 1 10 . 1 1 93 93 ALA C C 93 177.201 177.201 175.414 1.787 25969 6540 1 10 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.357 0.905 25969 6541 1 10 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.256 -0.446 25969 6542 1 10 . 1 1 93 93 ALA H H 93 9.002 9.002 8.573 0.429 25969 6543 1 10 . 1 1 94 94 VAL N N 94 117.872 117.872 120.556 -2.684 25969 6544 1 10 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.817 0.087 25969 6545 1 10 . 1 1 94 94 VAL C C 94 173.613 173.613 173.469 0.144 25969 6546 1 10 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.883 -1.204 25969 6547 1 10 . 1 1 94 94 VAL CB C 94 36.036 36.036 35.698 0.338 25969 6548 1 10 . 1 1 94 94 VAL H H 94 8.833 8.833 8.283 0.550 25969 6549 1 10 . 1 1 95 95 VAL N N 95 121.842 121.842 127.928 -6.086 25969 6550 1 10 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.791 0.462 25969 6551 1 10 . 1 1 95 95 VAL C C 95 174.552 174.552 173.667 0.885 25969 6552 1 10 . 1 1 95 95 VAL CA C 95 57.942 57.942 59.402 -1.460 25969 6553 1 10 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.562 0.338 25969 6554 1 10 . 1 1 95 95 VAL H H 95 9.286 9.286 8.574 0.712 25969 6555 1 10 . 1 1 96 96 CYS N N 96 126.839 126.839 124.831 2.008 25969 6556 1 10 . 1 1 96 96 CYS HA H 96 5.423 5.423 4.908 0.515 25969 6557 1 10 . 1 1 96 96 CYS C C 96 174.135 174.135 175.498 -1.363 25969 6558 1 10 . 1 1 96 96 CYS CA C 96 54.269 54.269 58.075 -3.806 25969 6559 1 10 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.559 15.896 25969 6560 1 10 . 1 1 96 96 CYS H H 96 9.452 9.452 8.999 0.453 25969 6561 1 10 . 1 1 97 97 GLY N N 97 109.718 109.718 108.833 0.885 25969 6562 1 10 . 1 1 97 97 GLY C C 97 172.639 172.639 172.914 -0.275 25969 6563 1 10 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.153 1.235 25969 6564 1 10 . 1 1 97 97 GLY H H 97 8.355 8.355 8.774 -0.419 25969 6565 1 10 . 1 1 98 98 LYS N N 98 114.844 114.844 119.013 -4.169 25969 6566 1 10 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.536 0.208 25969 6567 1 10 . 1 1 98 98 LYS C C 98 174.051 174.051 174.413 -0.362 25969 6568 1 10 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.117 -0.782 25969 6569 1 10 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.313 0.215 25969 6570 1 10 . 1 1 98 98 LYS H H 98 7.632 7.632 7.747 -0.115 25969 6571 1 10 . 1 1 99 99 MET N N 99 124.801 124.801 127.089 -2.288 25969 6572 1 10 . 1 1 99 99 MET HA H 99 5.017 5.017 4.703 0.314 25969 6573 1 10 . 1 1 99 99 MET C C 99 176.337 176.337 174.681 1.656 25969 6574 1 10 . 1 1 99 99 MET CA C 99 54.803 54.803 55.292 -0.489 25969 6575 1 10 . 1 1 99 99 MET CB C 99 34.646 34.646 33.593 1.053 25969 6576 1 10 . 1 1 99 99 MET H H 99 8.759 8.759 8.701 0.058 25969 6577 1 10 . 1 1 100 100 LYS N N 100 126.252 126.252 125.836 0.416 25969 6578 1 10 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.372 0.004 25969 6579 1 10 . 1 1 100 100 LYS C C 100 177.222 177.222 177.271 -0.049 25969 6580 1 10 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.659 -1.204 25969 6581 1 10 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.042 -0.613 25969 6582 1 10 . 1 1 100 100 LYS H H 100 8.602 8.602 8.135 0.467 25969 6583 1 10 . 1 1 101 101 GLY N N 101 108.944 108.944 105.811 3.133 25969 6584 1 10 . 1 1 101 101 GLY C C 101 173.613 173.613 174.062 -0.449 25969 6585 1 10 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.415 0.170 25969 6586 1 10 . 1 1 101 101 GLY H H 101 8.385 8.385 7.615 0.770 25969 6587 1 10 . 1 1 102 102 LYS N N 102 118.594 118.594 119.996 -1.402 25969 6588 1 10 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.046 0.368 25969 6589 1 10 . 1 1 102 102 LYS C C 102 176.867 176.867 175.876 0.991 25969 6590 1 10 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.804 -1.932 25969 6591 1 10 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.634 1.389 25969 6592 1 10 . 1 1 102 102 LYS H H 102 8.436 8.436 8.321 0.115 25969 6593 1 10 . 1 1 103 103 GLY N N 103 110.581 110.581 108.231 2.350 25969 6594 1 10 . 1 1 103 103 GLY C C 103 171.631 171.631 172.610 -0.979 25969 6595 1 10 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.184 1.736 25969 6596 1 10 . 1 1 103 103 GLY H H 103 8.443 8.443 8.112 0.331 25969 6597 1 10 . 1 1 104 104 SER N N 104 113.710 113.710 115.000 -1.290 25969 6598 1 10 . 1 1 104 104 SER HA H 104 4.697 4.697 4.720 -0.023 25969 6599 1 10 . 1 1 104 104 SER C C 104 174.680 174.680 174.069 0.611 25969 6600 1 10 . 1 1 104 104 SER CA C 104 57.331 57.331 56.537 0.794 25969 6601 1 10 . 1 1 104 104 SER CB C 104 66.178 66.178 65.893 0.285 25969 6602 1 10 . 1 1 104 104 SER H H 104 8.535 8.535 8.141 0.394 25969 6603 1 10 . 1 1 105 105 CYS N N 105 118.835 118.835 121.975 -3.140 25969 6604 1 10 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.317 0.295 25969 6605 1 10 . 1 1 105 105 CYS C C 105 176.502 176.502 175.820 0.682 25969 6606 1 10 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.698 -3.562 25969 6607 1 10 . 1 1 105 105 CYS CB C 105 40.412 40.412 26.939 13.473 25969 6608 1 10 . 1 1 105 105 CYS H H 105 10.009 10.009 8.726 1.283 25969 6609 1 10 . 1 1 106 106 THR N N 106 107.957 107.957 113.620 -5.663 25969 6610 1 10 . 1 1 106 106 THR HA H 106 4.574 4.574 3.854 0.720 25969 6611 1 10 . 1 1 106 106 THR C C 106 175.178 175.178 174.211 0.967 25969 6612 1 10 . 1 1 106 106 THR CA C 106 61.014 61.014 64.090 -3.076 25969 6613 1 10 . 1 1 106 106 THR CB C 106 68.495 68.495 67.693 0.802 25969 6614 1 10 . 1 1 106 106 THR H H 106 8.030 8.030 8.936 -0.906 25969 6615 1 10 . 1 1 107 107 ASP N N 107 120.763 120.763 117.897 2.866 25969 6616 1 10 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.739 -0.419 25969 6617 1 10 . 1 1 107 107 ASP C C 107 177.264 177.264 175.808 1.456 25969 6618 1 10 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.886 0.117 25969 6619 1 10 . 1 1 107 107 ASP CB C 107 40.844 40.844 44.356 -3.512 25969 6620 1 10 . 1 1 107 107 ASP H H 107 7.531 7.531 7.649 -0.118 25969 6621 1 10 . 1 1 108 108 GLY N N 108 108.602 108.602 109.813 -1.211 25969 6622 1 10 . 1 1 108 108 GLY C C 108 174.698 174.698 173.521 1.177 25969 6623 1 10 . 1 1 108 108 GLY CA C 108 45.653 45.653 45.050 0.603 25969 6624 1 10 . 1 1 108 108 GLY H H 108 8.591 8.591 8.089 0.502 25969 6625 1 10 . 1 1 109 109 GLU N N 109 120.191 120.191 119.262 0.929 25969 6626 1 10 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.225 0.227 25969 6627 1 10 . 1 1 109 109 GLU C C 109 176.472 176.472 175.407 1.065 25969 6628 1 10 . 1 1 109 109 GLU CA C 109 55.678 55.678 56.886 -1.208 25969 6629 1 10 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.347 0.537 25969 6630 1 10 . 1 1 109 109 GLU H H 109 8.292 8.292 7.741 0.551 25969 6631 1 10 . 1 1 110 110 GLU N N 110 116.857 116.857 117.683 -0.826 25969 6632 1 10 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.284 -0.068 25969 6633 1 10 . 1 1 110 110 GLU C C 110 176.381 176.381 174.591 1.790 25969 6634 1 10 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.492 0.644 25969 6635 1 10 . 1 1 110 110 GLU CB C 110 31.273 31.273 30.583 0.690 25969 6636 1 10 . 1 1 110 110 GLU H H 110 9.028 9.028 8.526 0.502 25969 6637 1 10 . 1 1 111 111 ILE N N 111 109.164 109.164 114.136 -4.972 25969 6638 1 10 . 1 1 111 111 ILE HA H 111 4.835 4.835 5.002 -0.167 25969 6639 1 10 . 1 1 111 111 ILE C C 111 176.868 176.868 174.240 2.628 25969 6640 1 10 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.496 -0.354 25969 6641 1 10 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.753 1.362 25969 6642 1 10 . 1 1 111 111 ILE H H 111 7.022 7.022 7.339 -0.317 25969 6643 1 10 . 1 1 112 112 PHE N N 112 118.509 118.509 123.520 -5.011 25969 6644 1 10 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.894 0.218 25969 6645 1 10 . 1 1 112 112 PHE C C 112 174.171 174.171 173.515 0.656 25969 6646 1 10 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.446 2.345 25969 6647 1 10 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.331 3.527 25969 6648 1 10 . 1 1 112 112 PHE H H 112 8.605 8.605 8.090 0.515 25969 6649 1 10 . 1 1 113 113 ARG N N 113 119.908 119.908 122.906 -2.998 25969 6650 1 10 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.494 0.278 25969 6651 1 10 . 1 1 113 113 ARG C C 113 176.930 176.930 174.617 2.313 25969 6652 1 10 . 1 1 113 113 ARG CA C 113 55.404 55.404 55.019 0.385 25969 6653 1 10 . 1 1 113 113 ARG CB C 113 33.431 33.431 32.425 1.006 25969 6654 1 10 . 1 1 113 113 ARG H H 113 9.352 9.352 7.661 1.691 25969 6655 1 10 . 1 1 114 114 GLY N N 114 109.477 109.477 113.400 -3.923 25969 6656 1 10 . 1 1 114 114 GLY C C 114 173.738 173.738 172.545 1.193 25969 6657 1 10 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.308 -0.857 25969 6658 1 10 . 1 1 114 114 GLY H H 114 8.467 8.467 8.622 -0.155 25969 6659 1 10 . 1 1 115 115 ASN N N 115 119.193 119.193 121.095 -1.902 25969 6660 1 10 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.968 -0.234 25969 6661 1 10 . 1 1 115 115 ASN C C 115 173.530 173.530 173.417 0.113 25969 6662 1 10 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.776 -0.043 25969 6663 1 10 . 1 1 115 115 ASN CB C 115 39.642 39.642 41.439 -1.797 25969 6664 1 10 . 1 1 115 115 ASN H H 115 8.523 8.523 8.503 0.020 25969 6665 1 10 . 1 1 116 116 ASP N N 116 120.602 120.602 121.455 -0.853 25969 6666 1 10 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.038 0.045 25969 6667 1 10 . 1 1 116 116 ASP C C 116 174.030 174.030 174.295 -0.265 25969 6668 1 10 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.624 1.645 25969 6669 1 10 . 1 1 116 116 ASP CB C 116 43.983 43.983 43.761 0.222 25969 6670 1 10 . 1 1 116 116 ASP H H 116 8.098 8.098 8.487 -0.389 25969 6671 1 10 . 1 1 117 117 ALA N N 117 123.146 123.146 121.132 2.014 25969 6672 1 10 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.510 0.206 25969 6673 1 10 . 1 1 117 117 ALA C C 117 175.345 175.345 175.996 -0.651 25969 6674 1 10 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.871 -0.409 25969 6675 1 10 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.786 1.359 25969 6676 1 10 . 1 1 117 117 ALA H H 117 8.979 8.979 8.435 0.544 25969 6677 1 10 . 1 1 118 118 GLU N N 118 115.917 115.917 115.952 -0.035 25969 6678 1 10 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.993 -0.098 25969 6679 1 10 . 1 1 118 118 GLU C C 118 177.181 177.181 174.793 2.388 25969 6680 1 10 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.426 -1.069 25969 6681 1 10 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.302 -0.550 25969 6682 1 10 . 1 1 118 118 GLU H H 118 8.829 8.829 8.739 0.090 25969 6683 1 10 . 1 1 119 119 CYS N N 119 119.476 119.476 116.987 2.489 25969 6684 1 10 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.375 0.095 25969 6685 1 10 . 1 1 119 119 CYS C C 119 174.738 174.738 174.602 0.136 25969 6686 1 10 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.144 -0.980 25969 6687 1 10 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.353 13.105 25969 6688 1 10 . 1 1 119 119 CYS H H 119 8.671 8.671 8.144 0.527 25969 6689 1 10 . 1 1 120 120 ARG N N 120 123.444 123.444 121.550 1.894 25969 6690 1 10 . 1 1 120 120 ARG HA H 120 4.925 4.925 4.955 -0.030 25969 6691 1 10 . 1 1 120 120 ARG C C 120 172.028 172.028 172.983 -0.955 25969 6692 1 10 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.018 0.650 25969 6693 1 10 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.801 0.760 25969 6694 1 10 . 1 1 120 120 ARG H H 120 9.238 9.238 9.042 0.196 25969 6695 1 10 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.578 -0.032 25969 6696 1 10 . 1 1 121 121 PRO C C 121 176.138 176.138 175.673 0.465 25969 6697 1 10 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.549 0.471 25969 6698 1 10 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.833 0.329 25969 6699 1 10 . 1 1 122 122 PHE N N 122 124.392 124.392 125.516 -1.124 25969 6700 1 10 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.827 -0.121 25969 6701 1 10 . 1 1 122 122 PHE C C 122 175.032 175.032 174.246 0.786 25969 6702 1 10 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.020 1.388 25969 6703 1 10 . 1 1 122 122 PHE CB C 122 40.377 40.377 43.395 -3.018 25969 6704 1 10 . 1 1 122 122 PHE H H 122 8.335 8.335 8.812 -0.477 25969 6705 1 10 . 1 1 123 123 THR N N 123 118.912 118.912 114.947 3.965 25969 6706 1 10 . 1 1 123 123 THR HA H 123 4.140 4.140 4.613 -0.473 25969 6707 1 10 . 1 1 123 123 THR C C 123 173.071 173.071 173.682 -0.611 25969 6708 1 10 . 1 1 123 123 THR CA C 123 60.948 60.948 59.474 1.474 25969 6709 1 10 . 1 1 123 123 THR CB C 123 69.430 69.430 70.546 -1.117 25969 6710 1 10 . 1 1 123 123 THR H H 123 8.146 8.146 7.877 0.269 25969 6711 1 11 . 1 1 7 7 ARG N N 7 122.494 122.494 123.818 -1.324 25969 6712 1 11 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.402 -0.052 25969 6713 1 11 . 1 1 7 7 ARG C C 7 177.037 177.037 175.709 1.328 25969 6714 1 11 . 1 1 7 7 ARG CA C 7 56.724 56.724 55.349 1.375 25969 6715 1 11 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.644 -0.763 25969 6716 1 11 . 1 1 7 7 ARG H H 7 8.649 8.649 8.245 0.404 25969 6717 1 11 . 1 1 8 8 SER N N 8 117.535 117.535 116.061 1.474 25969 6718 1 11 . 1 1 8 8 SER HA H 8 4.384 4.384 4.185 0.199 25969 6719 1 11 . 1 1 8 8 SER C C 8 174.613 174.613 174.118 0.495 25969 6720 1 11 . 1 1 8 8 SER CA C 8 59.412 59.412 58.717 0.695 25969 6721 1 11 . 1 1 8 8 SER CB C 8 63.686 63.686 62.816 0.870 25969 6722 1 11 . 1 1 8 8 SER H H 8 8.522 8.522 7.759 0.763 25969 6723 1 11 . 1 1 9 9 ALA N N 9 126.336 126.336 128.621 -2.285 25969 6724 1 11 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.269 0.197 25969 6725 1 11 . 1 1 9 9 ALA C C 9 178.349 178.349 178.553 -0.204 25969 6726 1 11 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.724 0.343 25969 6727 1 11 . 1 1 9 9 ALA CB C 9 18.914 18.914 19.955 -1.041 25969 6728 1 11 . 1 1 9 9 ALA H H 9 8.415 8.415 8.116 0.299 25969 6729 1 11 . 1 1 10 10 ASN N N 10 121.438 121.438 118.291 3.147 25969 6730 1 11 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.731 -0.045 25969 6731 1 11 . 1 1 10 10 ASN C C 10 175.571 175.571 175.546 0.025 25969 6732 1 11 . 1 1 10 10 ASN CA C 10 53.247 53.247 54.002 -0.755 25969 6733 1 11 . 1 1 10 10 ASN CB C 10 39.125 39.125 37.082 2.043 25969 6734 1 11 . 1 1 10 10 ASN H H 10 9.263 9.263 9.242 0.021 25969 6735 1 11 . 1 1 11 11 LEU N N 11 125.021 125.021 119.981 5.040 25969 6736 1 11 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.845 0.776 25969 6737 1 11 . 1 1 11 11 LEU C C 11 178.567 178.567 177.848 0.719 25969 6738 1 11 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.428 1.458 25969 6739 1 11 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.104 1.156 25969 6740 1 11 . 1 1 11 11 LEU H H 11 8.560 8.560 7.938 0.622 25969 6741 1 11 . 1 1 12 12 ARG N N 12 117.977 117.977 118.206 -0.229 25969 6742 1 11 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.158 -0.024 25969 6743 1 11 . 1 1 12 12 ARG C C 12 179.350 179.350 178.412 0.938 25969 6744 1 11 . 1 1 12 12 ARG CA C 12 60.347 60.347 57.936 2.411 25969 6745 1 11 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.682 1.009 25969 6746 1 11 . 1 1 12 12 ARG H H 12 8.114 8.114 8.201 -0.087 25969 6747 1 11 . 1 1 13 13 ALA N N 13 123.280 123.280 121.798 1.482 25969 6748 1 11 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.235 -0.022 25969 6749 1 11 . 1 1 13 13 ALA C C 13 180.957 180.957 179.426 1.531 25969 6750 1 11 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.540 -0.138 25969 6751 1 11 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.217 -0.348 25969 6752 1 11 . 1 1 13 13 ALA H H 13 7.871 7.871 7.860 0.011 25969 6753 1 11 . 1 1 14 14 ALA N N 14 122.111 122.111 120.912 1.199 25969 6754 1 11 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.930 -0.225 25969 6755 1 11 . 1 1 14 14 ALA C C 14 178.578 178.578 178.803 -0.225 25969 6756 1 11 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.337 1.067 25969 6757 1 11 . 1 1 14 14 ALA CB C 14 17.260 17.260 18.009 -0.749 25969 6758 1 11 . 1 1 14 14 ALA H H 14 7.930 7.930 7.277 0.653 25969 6759 1 11 . 1 1 15 15 HIS N N 15 118.502 118.502 118.397 0.105 25969 6760 1 11 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.209 -0.433 25969 6761 1 11 . 1 1 15 15 HIS C C 15 176.304 176.304 177.020 -0.716 25969 6762 1 11 . 1 1 15 15 HIS CA C 15 60.031 60.031 59.826 0.205 25969 6763 1 11 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.668 1.702 25969 6764 1 11 . 1 1 15 15 HIS H H 15 8.422 8.422 8.776 -0.354 25969 6765 1 11 . 1 1 16 16 ALA N N 16 120.116 120.116 119.258 0.858 25969 6766 1 11 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.330 -0.476 25969 6767 1 11 . 1 1 16 16 ALA C C 16 180.644 180.644 178.608 2.036 25969 6768 1 11 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.651 1.820 25969 6769 1 11 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.793 -0.991 25969 6770 1 11 . 1 1 16 16 ALA H H 16 7.980 7.980 7.612 0.368 25969 6771 1 11 . 1 1 17 17 ALA N N 17 121.281 121.281 123.310 -2.029 25969 6772 1 11 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.056 0.120 25969 6773 1 11 . 1 1 17 17 ALA C C 17 180.122 180.122 179.113 1.009 25969 6774 1 11 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.876 -0.407 25969 6775 1 11 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.535 1.605 25969 6776 1 11 . 1 1 17 17 ALA H H 17 7.465 7.465 7.488 -0.023 25969 6777 1 11 . 1 1 18 18 LEU N N 18 120.262 120.262 118.312 1.950 25969 6778 1 11 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.065 -0.258 25969 6779 1 11 . 1 1 18 18 LEU C C 18 178.766 178.766 179.382 -0.616 25969 6780 1 11 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.375 1.369 25969 6781 1 11 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.869 0.842 25969 6782 1 11 . 1 1 18 18 LEU H H 18 8.468 8.468 8.524 -0.056 25969 6783 1 11 . 1 1 19 19 LEU N N 19 119.078 119.078 121.354 -2.276 25969 6784 1 11 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.160 -0.298 25969 6785 1 11 . 1 1 19 19 LEU C C 19 179.517 179.517 178.420 1.097 25969 6786 1 11 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.566 -0.558 25969 6787 1 11 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.062 0.383 25969 6788 1 11 . 1 1 19 19 LEU H H 19 8.029 8.029 7.504 0.525 25969 6789 1 11 . 1 1 20 20 GLU N N 20 121.499 121.499 119.542 1.957 25969 6790 1 11 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.013 0.014 25969 6791 1 11 . 1 1 20 20 GLU C C 20 180.289 180.289 179.221 1.068 25969 6792 1 11 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.507 0.372 25969 6793 1 11 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.422 -0.132 25969 6794 1 11 . 1 1 20 20 GLU H H 20 7.895 7.895 8.627 -0.732 25969 6795 1 11 . 1 1 21 21 ASN N N 21 119.066 119.066 117.770 1.296 25969 6796 1 11 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.720 -0.182 25969 6797 1 11 . 1 1 21 21 ASN C C 21 177.368 177.368 177.413 -0.045 25969 6798 1 11 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.828 0.044 25969 6799 1 11 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.709 1.735 25969 6800 1 11 . 1 1 21 21 ASN H H 21 8.373 8.373 8.368 0.005 25969 6801 1 11 . 1 1 22 22 ALA N N 22 125.274 125.274 123.921 1.353 25969 6802 1 11 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.004 -0.231 25969 6803 1 11 . 1 1 22 22 ALA C C 22 179.402 179.402 179.884 -0.482 25969 6804 1 11 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.275 0.196 25969 6805 1 11 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.570 -0.350 25969 6806 1 11 . 1 1 22 22 ALA H H 22 8.886 8.886 8.430 0.456 25969 6807 1 11 . 1 1 23 23 ARG N N 23 119.945 119.945 117.228 2.717 25969 6808 1 11 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.139 0.058 25969 6809 1 11 . 1 1 23 23 ARG C C 23 179.726 179.726 178.257 1.469 25969 6810 1 11 . 1 1 23 23 ARG CA C 23 59.812 59.812 59.175 0.637 25969 6811 1 11 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.818 -0.127 25969 6812 1 11 . 1 1 23 23 ARG H H 23 8.168 8.168 8.249 -0.081 25969 6813 1 11 . 1 1 24 24 PHE N N 24 121.222 121.222 120.246 0.976 25969 6814 1 11 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.720 -0.353 25969 6815 1 11 . 1 1 24 24 PHE C C 24 177.410 177.410 177.808 -0.398 25969 6816 1 11 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.559 -0.211 25969 6817 1 11 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.051 -1.145 25969 6818 1 11 . 1 1 24 24 PHE H H 24 7.658 7.658 7.691 -0.033 25969 6819 1 11 . 1 1 25 25 MET N N 25 120.355 120.355 118.460 1.895 25969 6820 1 11 . 1 1 25 25 MET HA H 25 4.300 4.300 4.576 -0.276 25969 6821 1 11 . 1 1 25 25 MET C C 25 179.371 179.371 178.497 0.874 25969 6822 1 11 . 1 1 25 25 MET CA C 25 55.939 55.939 57.125 -1.186 25969 6823 1 11 . 1 1 25 25 MET CB C 25 29.424 29.424 31.215 -1.791 25969 6824 1 11 . 1 1 25 25 MET H H 25 8.358 8.358 9.044 -0.686 25969 6825 1 11 . 1 1 26 26 GLU N N 26 120.164 120.164 119.329 0.835 25969 6826 1 11 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.338 0.000 25969 6827 1 11 . 1 1 26 26 GLU C C 26 179.934 179.934 179.749 0.185 25969 6828 1 11 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.338 0.715 25969 6829 1 11 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.174 0.310 25969 6830 1 11 . 1 1 26 26 GLU H H 26 8.441 8.441 8.474 -0.033 25969 6831 1 11 . 1 1 27 27 GLN N N 27 121.309 121.309 119.698 1.611 25969 6832 1 11 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.187 -0.055 25969 6833 1 11 . 1 1 27 27 GLN C C 27 178.307 178.307 178.146 0.161 25969 6834 1 11 . 1 1 27 27 GLN CA C 27 58.610 58.610 58.430 0.180 25969 6835 1 11 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.973 -0.885 25969 6836 1 11 . 1 1 27 27 GLN H H 27 8.001 8.001 8.199 -0.198 25969 6837 1 11 . 1 1 28 28 PHE N N 28 124.569 124.569 121.528 3.041 25969 6838 1 11 . 1 1 28 28 PHE HA H 28 3.814 3.814 3.912 -0.098 25969 6839 1 11 . 1 1 28 28 PHE C C 28 177.717 177.717 177.413 0.304 25969 6840 1 11 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.603 0.589 25969 6841 1 11 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.023 0.320 25969 6842 1 11 . 1 1 28 28 PHE H H 28 8.760 8.760 8.595 0.165 25969 6843 1 11 . 1 1 29 29 TYR N N 29 121.726 121.726 119.246 2.480 25969 6844 1 11 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.074 -0.279 25969 6845 1 11 . 1 1 29 29 TYR C C 29 179.079 179.079 177.078 2.001 25969 6846 1 11 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.525 -0.577 25969 6847 1 11 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.454 0.253 25969 6848 1 11 . 1 1 29 29 TYR H H 29 8.956 8.956 8.142 0.814 25969 6849 1 11 . 1 1 30 30 ALA N N 30 121.142 121.142 119.905 1.237 25969 6850 1 11 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.098 -0.050 25969 6851 1 11 . 1 1 30 30 ALA C C 30 174.781 174.781 178.525 -3.744 25969 6852 1 11 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.240 0.630 25969 6853 1 11 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.393 -0.524 25969 6854 1 11 . 1 1 30 30 ALA H H 30 8.063 8.063 7.707 0.356 25969 6855 1 11 . 1 1 31 31 LYS N N 31 114.745 114.745 115.152 -0.407 25969 6856 1 11 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.206 -0.018 25969 6857 1 11 . 1 1 31 31 LYS C C 31 177.744 177.744 177.019 0.725 25969 6858 1 11 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.423 -0.015 25969 6859 1 11 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.384 -0.209 25969 6860 1 11 . 1 1 31 31 LYS H H 31 7.172 7.172 7.979 -0.807 25969 6861 1 11 . 1 1 32 32 LYS N N 32 117.388 117.388 117.186 0.202 25969 6862 1 11 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.259 -0.146 25969 6863 1 11 . 1 1 32 32 LYS C C 32 177.747 177.747 176.489 1.258 25969 6864 1 11 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.185 -0.380 25969 6865 1 11 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.716 -0.818 25969 6866 1 11 . 1 1 32 32 LYS H H 32 8.154 8.154 7.766 0.388 25969 6867 1 11 . 1 1 33 33 GLY N N 33 109.017 109.017 105.825 3.192 25969 6868 1 11 . 1 1 33 33 GLY C C 33 171.798 171.798 173.217 -1.419 25969 6869 1 11 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.810 -0.160 25969 6870 1 11 . 1 1 33 33 GLY H H 33 8.945 8.945 8.315 0.630 25969 6871 1 11 . 1 1 34 34 SER N N 34 110.165 110.165 113.501 -3.336 25969 6872 1 11 . 1 1 34 34 SER HA H 34 4.136 4.136 5.161 -1.025 25969 6873 1 11 . 1 1 34 34 SER C C 34 172.862 172.862 173.631 -0.769 25969 6874 1 11 . 1 1 34 34 SER CA C 34 56.673 56.673 57.782 -1.109 25969 6875 1 11 . 1 1 34 34 SER CB C 34 64.621 64.621 65.117 -0.496 25969 6876 1 11 . 1 1 34 34 SER H H 34 6.756 6.756 7.593 -0.837 25969 6877 1 11 . 1 1 35 35 PHE N N 35 121.132 121.132 121.650 -0.518 25969 6878 1 11 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.704 0.410 25969 6879 1 11 . 1 1 35 35 PHE C C 35 172.888 172.888 175.202 -2.314 25969 6880 1 11 . 1 1 35 35 PHE CA C 35 59.260 59.260 59.950 -0.690 25969 6881 1 11 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.361 0.127 25969 6882 1 11 . 1 1 35 35 PHE H H 35 9.403 9.403 8.819 0.584 25969 6883 1 11 . 1 1 36 36 LYS N N 36 114.841 114.841 120.722 -5.881 25969 6884 1 11 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.373 0.011 25969 6885 1 11 . 1 1 36 36 LYS C C 36 177.118 177.118 176.928 0.190 25969 6886 1 11 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.643 -0.371 25969 6887 1 11 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.357 -0.260 25969 6888 1 11 . 1 1 36 36 LYS H H 36 8.536 8.536 7.932 0.604 25969 6889 1 11 . 1 1 37 37 LEU N N 37 124.789 124.789 122.538 2.251 25969 6890 1 11 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.664 -0.214 25969 6891 1 11 . 1 1 37 37 LEU C C 37 177.535 177.535 177.263 0.272 25969 6892 1 11 . 1 1 37 37 LEU CA C 37 57.742 57.742 56.048 1.694 25969 6893 1 11 . 1 1 37 37 LEU CB C 37 44.251 44.251 41.621 2.630 25969 6894 1 11 . 1 1 37 37 LEU H H 37 8.503 8.503 8.405 0.098 25969 6895 1 11 . 1 1 38 38 THR N N 38 108.556 108.556 112.494 -3.938 25969 6896 1 11 . 1 1 38 38 THR HA H 38 4.619 4.619 4.594 0.025 25969 6897 1 11 . 1 1 38 38 THR C C 38 173.947 173.947 172.815 1.132 25969 6898 1 11 . 1 1 38 38 THR CA C 38 58.944 58.944 60.567 -1.623 25969 6899 1 11 . 1 1 38 38 THR CB C 38 71.818 71.818 71.173 0.645 25969 6900 1 11 . 1 1 38 38 THR H H 38 8.189 8.189 7.525 0.664 25969 6901 1 11 . 1 1 39 39 SER N N 39 110.757 110.757 118.771 -8.014 25969 6902 1 11 . 1 1 39 39 SER HA H 39 4.057 4.057 4.296 -0.239 25969 6903 1 11 . 1 1 39 39 SER C C 39 174.904 174.904 175.168 -0.264 25969 6904 1 11 . 1 1 39 39 SER CA C 39 60.938 60.938 59.716 1.222 25969 6905 1 11 . 1 1 39 39 SER CB C 39 63.218 63.218 63.458 -0.240 25969 6906 1 11 . 1 1 39 39 SER H H 39 8.590 8.590 8.478 0.112 25969 6907 1 11 . 1 1 40 40 THR N N 40 129.807 129.807 111.412 18.395 25969 6908 1 11 . 1 1 40 40 THR HA H 40 4.453 4.453 3.895 0.558 25969 6909 1 11 . 1 1 40 40 THR C C 40 174.928 174.928 173.713 1.215 25969 6910 1 11 . 1 1 40 40 THR CA C 40 60.351 60.351 62.841 -2.490 25969 6911 1 11 . 1 1 40 40 THR CB C 40 69.910 69.910 67.788 2.122 25969 6912 1 11 . 1 1 40 40 THR H H 40 7.570 7.570 8.320 -0.750 25969 6913 1 11 . 1 1 41 41 LYS N N 41 125.614 125.614 120.031 5.583 25969 6914 1 11 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.600 0.112 25969 6915 1 11 . 1 1 41 41 LYS C C 41 174.907 174.907 174.353 0.554 25969 6916 1 11 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.553 1.185 25969 6917 1 11 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.976 1.066 25969 6918 1 11 . 1 1 41 41 LYS H H 41 7.425 7.425 7.734 -0.309 25969 6919 1 11 . 1 1 42 42 TRP N N 42 124.827 124.827 123.168 1.659 25969 6920 1 11 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.102 0.000 25969 6921 1 11 . 1 1 42 42 TRP C C 42 173.384 173.384 174.690 -1.306 25969 6922 1 11 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.887 1.515 25969 6923 1 11 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.635 0.256 25969 6924 1 11 . 1 1 42 42 TRP H H 42 8.590 8.590 8.666 -0.076 25969 6925 1 11 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.484 -0.037 25969 6926 1 11 . 1 1 43 43 PRO C C 43 174.990 174.990 176.120 -1.130 25969 6927 1 11 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.867 -0.316 25969 6928 1 11 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.347 -0.252 25969 6929 1 11 . 1 1 44 44 GLU N N 44 120.080 120.080 123.007 -2.927 25969 6930 1 11 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.200 -0.235 25969 6931 1 11 . 1 1 44 44 GLU C C 44 175.699 175.699 176.448 -0.749 25969 6932 1 11 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.045 0.161 25969 6933 1 11 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.554 -0.972 25969 6934 1 11 . 1 1 44 44 GLU H H 44 8.134 8.134 8.455 -0.321 25969 6935 1 11 . 1 1 45 45 LEU N N 45 125.972 125.972 124.285 1.687 25969 6936 1 11 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.748 -0.785 25969 6937 1 11 . 1 1 45 45 LEU C C 45 176.242 176.242 175.567 0.675 25969 6938 1 11 . 1 1 45 45 LEU CA C 45 51.731 51.731 51.285 0.446 25969 6939 1 11 . 1 1 45 45 LEU CB C 45 41.312 41.312 40.449 0.863 25969 6940 1 11 . 1 1 45 45 LEU H H 45 8.363 8.363 8.255 0.108 25969 6941 1 11 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.148 0.026 25969 6942 1 11 . 1 1 46 46 PRO C C 46 177.702 177.702 176.177 1.525 25969 6943 1 11 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.406 0.414 25969 6944 1 11 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.914 -0.353 25969 6945 1 11 . 1 1 47 47 VAL N N 47 119.474 119.474 119.132 0.342 25969 6946 1 11 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.916 0.319 25969 6947 1 11 . 1 1 47 47 VAL C C 47 175.178 175.178 175.444 -0.266 25969 6948 1 11 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.775 -0.759 25969 6949 1 11 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.322 -0.174 25969 6950 1 11 . 1 1 47 47 VAL H H 47 7.836 7.836 8.166 -0.330 25969 6951 1 11 . 1 1 48 48 LYS N N 48 124.385 124.385 123.675 0.710 25969 6952 1 11 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.555 -0.246 25969 6953 1 11 . 1 1 48 48 LYS C C 48 176.534 176.534 175.488 1.046 25969 6954 1 11 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.339 0.802 25969 6955 1 11 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.675 0.157 25969 6956 1 11 . 1 1 48 48 LYS H H 48 8.638 8.638 8.243 0.395 25969 6957 1 11 . 1 1 49 49 GLU N N 49 118.262 118.262 118.368 -0.106 25969 6958 1 11 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.558 0.673 25969 6959 1 11 . 1 1 49 49 GLU C C 49 174.552 174.552 174.449 0.103 25969 6960 1 11 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.818 -0.547 25969 6961 1 11 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.673 1.624 25969 6962 1 11 . 1 1 49 49 GLU H H 49 7.473 7.473 7.754 -0.281 25969 6963 1 11 . 1 1 50 50 ALA N N 50 124.186 124.186 128.115 -3.929 25969 6964 1 11 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.633 -0.182 25969 6965 1 11 . 1 1 50 50 ALA C C 50 177.890 177.890 177.511 0.379 25969 6966 1 11 . 1 1 50 50 ALA CA C 50 53.133 53.133 51.544 1.589 25969 6967 1 11 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.217 3.396 25969 6968 1 11 . 1 1 50 50 ALA H H 50 8.902 8.902 8.796 0.106 25969 6969 1 11 . 1 1 51 51 GLY N N 51 109.041 109.041 105.093 3.948 25969 6970 1 11 . 1 1 51 51 GLY C C 51 173.759 173.759 174.887 -1.128 25969 6971 1 11 . 1 1 51 51 GLY CA C 51 47.657 47.657 46.489 1.168 25969 6972 1 11 . 1 1 51 51 GLY H H 51 9.113 9.113 8.761 0.352 25969 6973 1 11 . 1 1 52 52 GLY N N 52 104.272 104.272 105.265 -0.993 25969 6974 1 11 . 1 1 52 52 GLY C C 52 174.156 174.156 172.952 1.204 25969 6975 1 11 . 1 1 52 52 GLY CA C 52 45.520 45.520 45.136 0.384 25969 6976 1 11 . 1 1 52 52 GLY H H 52 8.873 8.873 8.291 0.582 25969 6977 1 11 . 1 1 53 53 PHE N N 53 120.324 120.324 119.611 0.713 25969 6978 1 11 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.300 -0.143 25969 6979 1 11 . 1 1 53 53 PHE C C 53 175.574 175.574 174.180 1.394 25969 6980 1 11 . 1 1 53 53 PHE CA C 53 56.940 56.940 55.483 1.457 25969 6981 1 11 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.116 -1.737 25969 6982 1 11 . 1 1 53 53 PHE H H 53 8.278 8.278 7.580 0.698 25969 6983 1 11 . 1 1 54 54 CYS N N 54 116.465 116.465 120.503 -4.038 25969 6984 1 11 . 1 1 54 54 CYS HA H 54 5.660 5.660 4.770 0.890 25969 6985 1 11 . 1 1 54 54 CYS C C 54 173.092 173.092 173.006 0.086 25969 6986 1 11 . 1 1 54 54 CYS CA C 54 54.997 54.997 58.649 -3.652 25969 6987 1 11 . 1 1 54 54 CYS CB C 54 44.496 44.496 28.854 15.643 25969 6988 1 11 . 1 1 54 54 CYS H H 54 9.911 9.911 9.104 0.807 25969 6989 1 11 . 1 1 55 55 ILE N N 55 119.910 119.910 125.421 -5.511 25969 6990 1 11 . 1 1 55 55 ILE HA H 55 5.311 5.311 4.799 0.512 25969 6991 1 11 . 1 1 55 55 ILE C C 55 175.366 175.366 175.348 0.018 25969 6992 1 11 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.008 0.472 25969 6993 1 11 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.462 -0.763 25969 6994 1 11 . 1 1 55 55 ILE H H 55 7.971 7.971 8.672 -0.701 25969 6995 1 11 . 1 1 56 56 ARG N N 56 122.445 122.445 120.401 2.044 25969 6996 1 11 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.682 -0.061 25969 6997 1 11 . 1 1 56 56 ARG C C 56 174.948 174.948 174.105 0.843 25969 6998 1 11 . 1 1 56 56 ARG CA C 56 53.467 53.467 53.912 -0.445 25969 6999 1 11 . 1 1 56 56 ARG CB C 56 36.410 36.410 34.889 1.521 25969 7000 1 11 . 1 1 56 56 ARG H H 56 8.927 8.927 8.030 0.897 25969 7001 1 11 . 1 1 57 57 MET N N 57 119.875 119.875 119.386 0.489 25969 7002 1 11 . 1 1 57 57 MET HA H 57 4.574 4.574 4.541 0.033 25969 7003 1 11 . 1 1 57 57 MET C C 57 175.845 175.845 175.877 -0.032 25969 7004 1 11 . 1 1 57 57 MET CA C 57 55.204 55.204 55.193 0.011 25969 7005 1 11 . 1 1 57 57 MET CB C 57 32.162 32.162 34.406 -2.244 25969 7006 1 11 . 1 1 57 57 MET H H 57 9.022 9.022 8.559 0.463 25969 7007 1 11 . 1 1 58 58 SER N N 58 114.338 114.338 117.628 -3.290 25969 7008 1 11 . 1 1 58 58 SER HA H 58 5.138 5.138 4.354 0.784 25969 7009 1 11 . 1 1 58 58 SER C C 58 175.866 175.866 175.035 0.831 25969 7010 1 11 . 1 1 58 58 SER CA C 58 56.084 56.084 59.364 -3.280 25969 7011 1 11 . 1 1 58 58 SER CB C 58 63.977 63.977 63.917 0.060 25969 7012 1 11 . 1 1 58 58 SER H H 58 8.559 8.559 8.590 -0.031 25969 7013 1 11 . 1 1 59 59 GLY N N 59 116.880 116.880 108.000 8.880 25969 7014 1 11 . 1 1 59 59 GLY C C 59 172.257 172.257 173.760 -1.503 25969 7015 1 11 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.012 -1.310 25969 7016 1 11 . 1 1 59 59 GLY H H 59 8.919 8.919 7.976 0.943 25969 7017 1 11 . 1 1 60 60 GLN N N 60 121.745 121.745 118.827 2.918 25969 7018 1 11 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.495 -0.104 25969 7019 1 11 . 1 1 60 60 GLN C C 60 177.222 177.222 177.195 0.027 25969 7020 1 11 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.239 -0.234 25969 7021 1 11 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.177 -0.335 25969 7022 1 11 . 1 1 60 60 GLN H H 60 8.575 8.575 8.391 0.184 25969 7023 1 11 . 1 1 61 61 ALA N N 61 128.305 128.305 126.002 2.303 25969 7024 1 11 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.884 -0.485 25969 7025 1 11 . 1 1 61 61 ALA C C 61 178.704 178.704 179.428 -0.724 25969 7026 1 11 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.600 0.689 25969 7027 1 11 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.736 -1.804 25969 7028 1 11 . 1 1 61 61 ALA H H 61 8.576 8.576 8.140 0.436 25969 7029 1 11 . 1 1 62 62 LYS N N 62 114.337 114.337 118.179 -3.842 25969 7030 1 11 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.228 -0.052 25969 7031 1 11 . 1 1 62 62 LYS C C 62 177.327 177.327 177.325 0.002 25969 7032 1 11 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.768 0.308 25969 7033 1 11 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.550 -0.255 25969 7034 1 11 . 1 1 62 62 LYS H H 62 8.272 8.272 8.063 0.209 25969 7035 1 11 . 1 1 63 63 GLY N N 63 107.059 107.059 108.199 -1.140 25969 7036 1 11 . 1 1 63 63 GLY C C 63 173.759 173.759 173.438 0.321 25969 7037 1 11 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.193 0.592 25969 7038 1 11 . 1 1 63 63 GLY H H 63 7.813 7.813 8.083 -0.270 25969 7039 1 11 . 1 1 64 64 ILE N N 64 122.496 122.496 121.872 0.624 25969 7040 1 11 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.306 0.150 25969 7041 1 11 . 1 1 64 64 ILE C C 64 176.033 176.033 176.185 -0.152 25969 7042 1 11 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.522 1.021 25969 7043 1 11 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.330 -2.358 25969 7044 1 11 . 1 1 64 64 ILE H H 64 7.256 7.256 7.282 -0.026 25969 7045 1 11 . 1 1 65 65 LEU N N 65 128.858 128.858 124.130 4.728 25969 7046 1 11 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.155 0.098 25969 7047 1 11 . 1 1 65 65 LEU C C 65 178.203 178.203 175.897 2.306 25969 7048 1 11 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.368 -0.830 25969 7049 1 11 . 1 1 65 65 LEU CB C 65 42.536 42.536 41.804 0.731 25969 7050 1 11 . 1 1 65 65 LEU H H 65 8.417 8.417 8.546 -0.129 25969 7051 1 11 . 1 1 66 66 GLU N N 66 119.109 119.109 121.674 -2.565 25969 7052 1 11 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.619 -0.378 25969 7053 1 11 . 1 1 66 66 GLU C C 66 177.436 177.436 176.740 0.696 25969 7054 1 11 . 1 1 66 66 GLU CA C 66 57.258 57.258 55.828 1.430 25969 7055 1 11 . 1 1 66 66 GLU CB C 66 29.099 29.099 32.137 -3.038 25969 7056 1 11 . 1 1 66 66 GLU H H 66 8.590 8.590 8.293 0.297 25969 7057 1 11 . 1 1 67 67 GLY N N 67 108.490 108.490 112.230 -3.740 25969 7058 1 11 . 1 1 67 67 GLY C C 67 173.551 173.551 173.254 0.297 25969 7059 1 11 . 1 1 67 67 GLY CA C 67 46.121 46.121 46.054 0.067 25969 7060 1 11 . 1 1 67 67 GLY H H 67 9.498 9.498 8.994 0.504 25969 7061 1 11 . 1 1 68 68 LYS N N 68 117.773 117.773 118.621 -0.848 25969 7062 1 11 . 1 1 68 68 LYS HA H 68 4.796 4.796 3.967 0.829 25969 7063 1 11 . 1 1 68 68 LYS C C 68 175.637 175.637 174.195 1.442 25969 7064 1 11 . 1 1 68 68 LYS CA C 68 54.269 54.269 53.975 0.294 25969 7065 1 11 . 1 1 68 68 LYS CB C 68 35.702 35.702 35.126 0.576 25969 7066 1 11 . 1 1 68 68 LYS H H 68 7.604 7.604 7.369 0.235 25969 7067 1 11 . 1 1 69 69 PHE N N 69 114.518 114.518 123.479 -8.961 25969 7068 1 11 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.576 -0.104 25969 7069 1 11 . 1 1 69 69 PHE C C 69 172.591 172.591 174.130 -1.539 25969 7070 1 11 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.615 3.463 25969 7071 1 11 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.462 0.915 25969 7072 1 11 . 1 1 69 69 PHE H H 69 8.439 8.439 8.944 -0.505 25969 7073 1 11 . 1 1 70 70 THR N N 70 115.260 115.260 117.403 -2.143 25969 7074 1 11 . 1 1 70 70 THR HA H 70 4.602 4.602 4.742 -0.140 25969 7075 1 11 . 1 1 70 70 THR C C 70 172.508 172.508 172.611 -0.103 25969 7076 1 11 . 1 1 70 70 THR CA C 70 62.484 62.484 61.665 0.819 25969 7077 1 11 . 1 1 70 70 THR CB C 70 71.367 71.367 72.034 -0.667 25969 7078 1 11 . 1 1 70 70 THR H H 70 8.474 8.474 8.449 0.025 25969 7079 1 11 . 1 1 71 71 LEU N N 71 128.144 128.144 123.157 4.987 25969 7080 1 11 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.740 -0.232 25969 7081 1 11 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.648 0.287 25969 7082 1 11 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.758 1.097 25969 7083 1 11 . 1 1 71 71 LEU H H 71 9.284 9.284 8.045 1.239 25969 7084 1 11 . 1 1 72 72 LYS N N 72 122.603 122.603 122.722 -0.119 25969 7085 1 11 . 1 1 72 72 LYS HA H 72 5.388 5.388 4.942 0.446 25969 7086 1 11 . 1 1 72 72 LYS C C 72 171.972 171.972 175.140 -3.168 25969 7087 1 11 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.551 -0.149 25969 7088 1 11 . 1 1 72 72 LYS CB C 72 38.592 38.592 34.840 3.752 25969 7089 1 11 . 1 1 72 72 LYS H H 72 9.123 9.123 8.213 0.910 25969 7090 1 11 . 1 1 73 73 ALA N N 73 128.927 128.927 129.661 -0.734 25969 7091 1 11 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.398 0.453 25969 7092 1 11 . 1 1 73 73 ALA C C 73 175.324 175.324 175.837 -0.513 25969 7093 1 11 . 1 1 73 73 ALA CA C 73 49.126 49.126 50.020 -0.894 25969 7094 1 11 . 1 1 73 73 ALA CB C 73 21.476 21.476 21.641 -0.165 25969 7095 1 11 . 1 1 73 73 ALA H H 73 9.178 9.178 8.908 0.270 25969 7096 1 11 . 1 1 74 74 VAL N N 74 123.425 123.425 120.742 2.683 25969 7097 1 11 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.038 0.101 25969 7098 1 11 . 1 1 74 74 VAL C C 74 173.425 173.425 174.731 -1.306 25969 7099 1 11 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.481 0.369 25969 7100 1 11 . 1 1 74 74 VAL CB C 74 35.768 35.768 35.828 -0.060 25969 7101 1 11 . 1 1 74 74 VAL H H 74 8.727 8.727 8.795 -0.068 25969 7102 1 11 . 1 1 75 75 ALA N N 75 130.762 130.762 128.690 2.072 25969 7103 1 11 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.301 0.357 25969 7104 1 11 . 1 1 75 75 ALA C C 75 177.327 177.327 178.590 -1.263 25969 7105 1 11 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.130 1.071 25969 7106 1 11 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.727 0.879 25969 7107 1 11 . 1 1 75 75 ALA H H 75 9.164 9.164 7.352 1.812 25969 7108 1 11 . 1 1 76 76 LEU N N 76 119.175 119.175 122.825 -3.650 25969 7109 1 11 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.066 -0.272 25969 7110 1 11 . 1 1 76 76 LEU C C 76 178.036 178.036 177.872 0.164 25969 7111 1 11 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.089 1.187 25969 7112 1 11 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.070 -0.224 25969 7113 1 11 . 1 1 76 76 LEU H H 76 8.269 8.269 8.689 -0.420 25969 7114 1 11 . 1 1 77 77 ASP N N 77 115.777 115.777 115.703 0.074 25969 7115 1 11 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.757 0.039 25969 7116 1 11 . 1 1 77 77 ASP C C 77 176.012 176.012 176.828 -0.816 25969 7117 1 11 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.948 -2.217 25969 7118 1 11 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.275 -0.099 25969 7119 1 11 . 1 1 77 77 ASP H H 77 7.715 7.715 8.194 -0.479 25969 7120 1 11 . 1 1 78 78 ARG N N 78 122.846 122.846 119.491 3.355 25969 7121 1 11 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.100 -0.017 25969 7122 1 11 . 1 1 78 78 ARG C C 78 177.869 177.869 176.991 0.878 25969 7123 1 11 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.364 -0.956 25969 7124 1 11 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.141 0.483 25969 7125 1 11 . 1 1 78 78 ARG H H 78 8.408 8.408 7.209 1.199 25969 7126 1 11 . 1 1 79 79 GLU N N 79 118.091 118.091 118.939 -0.848 25969 7127 1 11 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.035 -0.016 25969 7128 1 11 . 1 1 79 79 GLU C C 79 177.930 177.930 177.159 0.771 25969 7129 1 11 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.396 -0.072 25969 7130 1 11 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.221 -0.087 25969 7131 1 11 . 1 1 79 79 GLU H H 79 7.888 7.888 8.335 -0.447 25969 7132 1 11 . 1 1 80 80 ALA N N 80 120.528 120.528 118.824 1.704 25969 7133 1 11 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.426 -0.324 25969 7134 1 11 . 1 1 80 80 ALA C C 80 178.142 178.142 176.790 1.352 25969 7135 1 11 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.834 0.233 25969 7136 1 11 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.591 -1.319 25969 7137 1 11 . 1 1 80 80 ALA H H 80 7.175 7.175 7.932 -0.757 25969 7138 1 11 . 1 1 81 81 GLU N N 81 115.377 115.377 117.593 -2.216 25969 7139 1 11 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.855 -0.093 25969 7140 1 11 . 1 1 81 81 GLU C C 81 171.047 171.047 174.982 -3.935 25969 7141 1 11 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.572 -0.374 25969 7142 1 11 . 1 1 81 81 GLU CB C 81 30.693 30.693 28.987 1.706 25969 7143 1 11 . 1 1 81 81 GLU H H 81 7.457 7.457 7.584 -0.127 25969 7144 1 11 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.155 0.542 25969 7145 1 11 . 1 1 82 82 PRO C C 82 177.636 177.636 176.839 0.797 25969 7146 1 11 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.643 -1.052 25969 7147 1 11 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.966 0.866 25969 7148 1 11 . 1 1 83 83 ARG N N 83 118.488 118.488 117.762 0.726 25969 7149 1 11 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.577 -0.003 25969 7150 1 11 . 1 1 83 83 ARG C C 83 176.870 176.870 175.667 1.203 25969 7151 1 11 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.020 0.024 25969 7152 1 11 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.660 0.516 25969 7153 1 11 . 1 1 83 83 ARG H H 83 8.554 8.554 8.018 0.536 25969 7154 1 11 . 1 1 84 84 VAL N N 84 111.376 111.376 119.578 -8.202 25969 7155 1 11 . 1 1 84 84 VAL HA H 84 5.027 5.027 4.914 0.113 25969 7156 1 11 . 1 1 84 84 VAL C C 84 174.302 174.302 174.206 0.096 25969 7157 1 11 . 1 1 84 84 VAL CA C 84 58.543 58.543 60.003 -1.460 25969 7158 1 11 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.863 -0.173 25969 7159 1 11 . 1 1 84 84 VAL H H 84 8.304 8.304 8.359 -0.055 25969 7160 1 11 . 1 1 85 85 LEU N N 85 122.000 122.000 122.559 -0.559 25969 7161 1 11 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.149 0.179 25969 7162 1 11 . 1 1 85 85 LEU C C 85 175.491 175.491 174.139 1.352 25969 7163 1 11 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.110 -0.244 25969 7164 1 11 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.756 0.366 25969 7165 1 11 . 1 1 85 85 LEU H H 85 8.095 8.095 8.729 -0.634 25969 7166 1 11 . 1 1 86 86 ARG N N 86 119.409 119.409 121.275 -1.866 25969 7167 1 11 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.349 0.121 25969 7168 1 11 . 1 1 86 86 ARG C C 86 174.928 174.928 173.423 1.505 25969 7169 1 11 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.806 -0.604 25969 7170 1 11 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.303 1.332 25969 7171 1 11 . 1 1 86 86 ARG H H 86 8.851 8.851 8.150 0.701 25969 7172 1 11 . 1 1 87 87 LEU N N 87 122.550 122.550 124.135 -1.585 25969 7173 1 11 . 1 1 87 87 LEU HA H 87 5.074 5.074 4.997 0.077 25969 7174 1 11 . 1 1 87 87 LEU C C 87 174.406 174.406 174.462 -0.056 25969 7175 1 11 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.982 1.022 25969 7176 1 11 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.122 2.002 25969 7177 1 11 . 1 1 87 87 LEU H H 87 8.798 8.798 8.037 0.761 25969 7178 1 11 . 1 1 88 88 ASN N N 88 125.347 125.347 123.547 1.800 25969 7179 1 11 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.563 -0.140 25969 7180 1 11 . 1 1 88 88 ASN C C 88 176.576 176.576 176.416 0.160 25969 7181 1 11 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.773 -0.910 25969 7182 1 11 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.444 0.133 25969 7183 1 11 . 1 1 88 88 ASN H H 88 7.376 7.376 8.132 -0.756 25969 7184 1 11 . 1 1 89 89 GLU N N 89 114.953 114.953 119.029 -4.076 25969 7185 1 11 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.309 -0.913 25969 7186 1 11 . 1 1 89 89 GLU C C 89 176.684 176.684 176.928 -0.244 25969 7187 1 11 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.840 -0.300 25969 7188 1 11 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.741 -0.871 25969 7189 1 11 . 1 1 89 89 GLU H H 89 7.586 7.586 8.319 -0.733 25969 7190 1 11 . 1 1 90 90 SER N N 90 117.110 117.110 114.045 3.065 25969 7191 1 11 . 1 1 90 90 SER HA H 90 4.442 4.442 4.385 0.057 25969 7192 1 11 . 1 1 90 90 SER C C 90 174.051 174.051 175.253 -1.202 25969 7193 1 11 . 1 1 90 90 SER CA C 90 58.895 58.895 57.567 1.328 25969 7194 1 11 . 1 1 90 90 SER CB C 90 63.886 63.886 63.351 0.535 25969 7195 1 11 . 1 1 90 90 SER H H 90 7.385 7.385 8.067 -0.682 25969 7196 1 11 . 1 1 91 91 LEU N N 91 116.559 116.559 119.035 -2.476 25969 7197 1 11 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.030 -0.333 25969 7198 1 11 . 1 1 91 91 LEU C C 91 175.825 175.825 175.156 0.669 25969 7199 1 11 . 1 1 91 91 LEU CA C 91 56.042 56.042 55.909 0.133 25969 7200 1 11 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.117 -1.412 25969 7201 1 11 . 1 1 91 91 LEU H H 91 8.704 8.704 7.711 0.993 25969 7202 1 11 . 1 1 92 92 THR N N 92 115.529 115.529 114.410 1.119 25969 7203 1 11 . 1 1 92 92 THR HA H 92 4.254 4.254 4.385 -0.131 25969 7204 1 11 . 1 1 92 92 THR C C 92 173.425 173.425 173.273 0.152 25969 7205 1 11 . 1 1 92 92 THR CA C 92 62.617 62.617 62.613 0.004 25969 7206 1 11 . 1 1 92 92 THR CB C 92 69.096 69.096 69.492 -0.396 25969 7207 1 11 . 1 1 92 92 THR H H 92 7.704 7.704 7.507 0.197 25969 7208 1 11 . 1 1 93 93 ALA N N 93 130.459 130.459 131.468 -1.009 25969 7209 1 11 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.425 0.262 25969 7210 1 11 . 1 1 93 93 ALA C C 93 177.201 177.201 175.443 1.758 25969 7211 1 11 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.542 0.720 25969 7212 1 11 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.096 -0.286 25969 7213 1 11 . 1 1 93 93 ALA H H 93 9.002 9.002 8.504 0.498 25969 7214 1 11 . 1 1 94 94 VAL N N 94 117.872 117.872 120.752 -2.880 25969 7215 1 11 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.843 0.061 25969 7216 1 11 . 1 1 94 94 VAL C C 94 173.613 173.613 173.715 -0.102 25969 7217 1 11 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.445 -0.766 25969 7218 1 11 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.330 -0.294 25969 7219 1 11 . 1 1 94 94 VAL H H 94 8.833 8.833 8.185 0.648 25969 7220 1 11 . 1 1 95 95 VAL N N 95 121.842 121.842 128.564 -6.722 25969 7221 1 11 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.825 0.428 25969 7222 1 11 . 1 1 95 95 VAL C C 95 174.552 174.552 173.798 0.754 25969 7223 1 11 . 1 1 95 95 VAL CA C 95 57.942 57.942 59.174 -1.232 25969 7224 1 11 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.675 0.225 25969 7225 1 11 . 1 1 95 95 VAL H H 95 9.286 9.286 8.882 0.404 25969 7226 1 11 . 1 1 96 96 CYS N N 96 126.839 126.839 124.373 2.466 25969 7227 1 11 . 1 1 96 96 CYS HA H 96 5.423 5.423 5.000 0.423 25969 7228 1 11 . 1 1 96 96 CYS C C 96 174.135 174.135 175.530 -1.395 25969 7229 1 11 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.901 -3.632 25969 7230 1 11 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.706 15.749 25969 7231 1 11 . 1 1 96 96 CYS H H 96 9.452 9.452 8.928 0.524 25969 7232 1 11 . 1 1 97 97 GLY N N 97 109.718 109.718 108.322 1.396 25969 7233 1 11 . 1 1 97 97 GLY C C 97 172.639 172.639 172.955 -0.316 25969 7234 1 11 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.219 1.169 25969 7235 1 11 . 1 1 97 97 GLY H H 97 8.355 8.355 8.752 -0.397 25969 7236 1 11 . 1 1 98 98 LYS N N 98 114.844 114.844 119.899 -5.055 25969 7237 1 11 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.534 0.210 25969 7238 1 11 . 1 1 98 98 LYS C C 98 174.051 174.051 174.312 -0.261 25969 7239 1 11 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.469 -1.133 25969 7240 1 11 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.184 0.344 25969 7241 1 11 . 1 1 98 98 LYS H H 98 7.632 7.632 7.803 -0.171 25969 7242 1 11 . 1 1 99 99 MET N N 99 124.801 124.801 127.232 -2.431 25969 7243 1 11 . 1 1 99 99 MET HA H 99 5.017 5.017 4.675 0.342 25969 7244 1 11 . 1 1 99 99 MET C C 99 176.337 176.337 174.914 1.423 25969 7245 1 11 . 1 1 99 99 MET CA C 99 54.803 54.803 55.058 -0.255 25969 7246 1 11 . 1 1 99 99 MET CB C 99 34.646 34.646 33.603 1.043 25969 7247 1 11 . 1 1 99 99 MET H H 99 8.759 8.759 8.645 0.114 25969 7248 1 11 . 1 1 100 100 LYS N N 100 126.252 126.252 124.897 1.355 25969 7249 1 11 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.394 -0.018 25969 7250 1 11 . 1 1 100 100 LYS C C 100 177.222 177.222 177.657 -0.435 25969 7251 1 11 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.459 -1.004 25969 7252 1 11 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.066 -0.637 25969 7253 1 11 . 1 1 100 100 LYS H H 100 8.602 8.602 8.176 0.426 25969 7254 1 11 . 1 1 101 101 GLY N N 101 108.944 108.944 106.358 2.586 25969 7255 1 11 . 1 1 101 101 GLY C C 101 173.613 173.613 174.222 -0.609 25969 7256 1 11 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.511 0.074 25969 7257 1 11 . 1 1 101 101 GLY H H 101 8.385 8.385 7.662 0.723 25969 7258 1 11 . 1 1 102 102 LYS N N 102 118.594 118.594 119.621 -1.027 25969 7259 1 11 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.114 0.299 25969 7260 1 11 . 1 1 102 102 LYS C C 102 176.867 176.867 176.213 0.654 25969 7261 1 11 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.701 -1.829 25969 7262 1 11 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.397 1.626 25969 7263 1 11 . 1 1 102 102 LYS H H 102 8.436 8.436 8.267 0.169 25969 7264 1 11 . 1 1 103 103 GLY N N 103 110.581 110.581 108.511 2.070 25969 7265 1 11 . 1 1 103 103 GLY C C 103 171.631 171.631 172.710 -1.079 25969 7266 1 11 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.211 1.709 25969 7267 1 11 . 1 1 103 103 GLY H H 103 8.443 8.443 8.188 0.255 25969 7268 1 11 . 1 1 104 104 SER N N 104 113.710 113.710 116.198 -2.488 25969 7269 1 11 . 1 1 104 104 SER HA H 104 4.697 4.697 4.719 -0.022 25969 7270 1 11 . 1 1 104 104 SER C C 104 174.680 174.680 173.999 0.681 25969 7271 1 11 . 1 1 104 104 SER CA C 104 57.331 57.331 57.231 0.100 25969 7272 1 11 . 1 1 104 104 SER CB C 104 66.178 66.178 66.131 0.047 25969 7273 1 11 . 1 1 104 104 SER H H 104 8.535 8.535 8.182 0.353 25969 7274 1 11 . 1 1 105 105 CYS N N 105 118.835 118.835 121.023 -2.188 25969 7275 1 11 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.381 0.231 25969 7276 1 11 . 1 1 105 105 CYS C C 105 176.502 176.502 176.375 0.127 25969 7277 1 11 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.513 -3.377 25969 7278 1 11 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.352 13.060 25969 7279 1 11 . 1 1 105 105 CYS H H 105 10.009 10.009 8.964 1.045 25969 7280 1 11 . 1 1 106 106 THR N N 106 107.957 107.957 111.425 -3.468 25969 7281 1 11 . 1 1 106 106 THR HA H 106 4.574 4.574 4.002 0.572 25969 7282 1 11 . 1 1 106 106 THR C C 106 175.178 175.178 173.867 1.311 25969 7283 1 11 . 1 1 106 106 THR CA C 106 61.014 61.014 64.495 -3.481 25969 7284 1 11 . 1 1 106 106 THR CB C 106 68.495 68.495 67.548 0.947 25969 7285 1 11 . 1 1 106 106 THR H H 106 8.030 8.030 8.674 -0.644 25969 7286 1 11 . 1 1 107 107 ASP N N 107 120.763 120.763 122.772 -2.009 25969 7287 1 11 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.776 -0.456 25969 7288 1 11 . 1 1 107 107 ASP C C 107 177.264 177.264 176.207 1.057 25969 7289 1 11 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.232 0.772 25969 7290 1 11 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.007 -2.163 25969 7291 1 11 . 1 1 107 107 ASP H H 107 7.531 7.531 8.055 -0.524 25969 7292 1 11 . 1 1 108 108 GLY N N 108 108.602 108.602 109.873 -1.271 25969 7293 1 11 . 1 1 108 108 GLY C C 108 174.698 174.698 173.031 1.667 25969 7294 1 11 . 1 1 108 108 GLY CA C 108 45.653 45.653 45.085 0.568 25969 7295 1 11 . 1 1 108 108 GLY H H 108 8.591 8.591 7.716 0.875 25969 7296 1 11 . 1 1 109 109 GLU N N 109 120.191 120.191 121.810 -1.619 25969 7297 1 11 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.204 0.248 25969 7298 1 11 . 1 1 109 109 GLU C C 109 176.472 176.472 175.997 0.475 25969 7299 1 11 . 1 1 109 109 GLU CA C 109 55.678 55.678 56.696 -1.018 25969 7300 1 11 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.149 0.735 25969 7301 1 11 . 1 1 109 109 GLU H H 109 8.292 8.292 8.038 0.254 25969 7302 1 11 . 1 1 110 110 GLU N N 110 116.857 116.857 119.725 -2.868 25969 7303 1 11 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.257 -0.041 25969 7304 1 11 . 1 1 110 110 GLU C C 110 176.381 176.381 174.651 1.730 25969 7305 1 11 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.574 0.562 25969 7306 1 11 . 1 1 110 110 GLU CB C 110 31.273 31.273 30.986 0.287 25969 7307 1 11 . 1 1 110 110 GLU H H 110 9.028 9.028 8.762 0.266 25969 7308 1 11 . 1 1 111 111 ILE N N 111 109.164 109.164 114.127 -4.963 25969 7309 1 11 . 1 1 111 111 ILE HA H 111 4.835 4.835 5.000 -0.165 25969 7310 1 11 . 1 1 111 111 ILE C C 111 176.868 176.868 174.357 2.511 25969 7311 1 11 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.203 -0.061 25969 7312 1 11 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.916 1.199 25969 7313 1 11 . 1 1 111 111 ILE H H 111 7.022 7.022 7.271 -0.249 25969 7314 1 11 . 1 1 112 112 PHE N N 112 118.509 118.509 122.911 -4.402 25969 7315 1 11 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.893 0.219 25969 7316 1 11 . 1 1 112 112 PHE C C 112 174.171 174.171 173.545 0.626 25969 7317 1 11 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.614 2.177 25969 7318 1 11 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.229 3.630 25969 7319 1 11 . 1 1 112 112 PHE H H 112 8.605 8.605 8.089 0.516 25969 7320 1 11 . 1 1 113 113 ARG N N 113 119.908 119.908 122.802 -2.894 25969 7321 1 11 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.507 0.265 25969 7322 1 11 . 1 1 113 113 ARG C C 113 176.930 176.930 174.614 2.316 25969 7323 1 11 . 1 1 113 113 ARG CA C 113 55.404 55.404 55.055 0.349 25969 7324 1 11 . 1 1 113 113 ARG CB C 113 33.431 33.431 33.110 0.321 25969 7325 1 11 . 1 1 113 113 ARG H H 113 9.352 9.352 7.557 1.795 25969 7326 1 11 . 1 1 114 114 GLY N N 114 109.477 109.477 112.940 -3.463 25969 7327 1 11 . 1 1 114 114 GLY C C 114 173.738 173.738 172.751 0.987 25969 7328 1 11 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.027 -0.576 25969 7329 1 11 . 1 1 114 114 GLY H H 114 8.467 8.467 8.702 -0.235 25969 7330 1 11 . 1 1 115 115 ASN N N 115 119.193 119.193 122.006 -2.813 25969 7331 1 11 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.990 -0.256 25969 7332 1 11 . 1 1 115 115 ASN C C 115 173.530 173.530 173.132 0.398 25969 7333 1 11 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.923 -0.190 25969 7334 1 11 . 1 1 115 115 ASN CB C 115 39.642 39.642 41.679 -2.037 25969 7335 1 11 . 1 1 115 115 ASN H H 115 8.523 8.523 8.560 -0.037 25969 7336 1 11 . 1 1 116 116 ASP N N 116 120.602 120.602 120.789 -0.187 25969 7337 1 11 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.105 -0.022 25969 7338 1 11 . 1 1 116 116 ASP C C 116 174.030 174.030 174.269 -0.239 25969 7339 1 11 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.631 1.638 25969 7340 1 11 . 1 1 116 116 ASP CB C 116 43.983 43.983 43.911 0.072 25969 7341 1 11 . 1 1 116 116 ASP H H 116 8.098 8.098 8.426 -0.328 25969 7342 1 11 . 1 1 117 117 ALA N N 117 123.146 123.146 121.993 1.153 25969 7343 1 11 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.515 0.201 25969 7344 1 11 . 1 1 117 117 ALA C C 117 175.345 175.345 176.176 -0.831 25969 7345 1 11 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.623 -0.161 25969 7346 1 11 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.624 1.521 25969 7347 1 11 . 1 1 117 117 ALA H H 117 8.979 8.979 8.411 0.568 25969 7348 1 11 . 1 1 118 118 GLU N N 118 115.917 115.917 115.966 -0.049 25969 7349 1 11 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.986 -0.091 25969 7350 1 11 . 1 1 118 118 GLU C C 118 177.181 177.181 174.797 2.384 25969 7351 1 11 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.353 -0.995 25969 7352 1 11 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.236 -0.484 25969 7353 1 11 . 1 1 118 118 GLU H H 118 8.829 8.829 8.747 0.082 25969 7354 1 11 . 1 1 119 119 CYS N N 119 119.476 119.476 116.759 2.717 25969 7355 1 11 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.374 0.096 25969 7356 1 11 . 1 1 119 119 CYS C C 119 174.738 174.738 174.607 0.131 25969 7357 1 11 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.158 -0.994 25969 7358 1 11 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.220 13.238 25969 7359 1 11 . 1 1 119 119 CYS H H 119 8.671 8.671 8.191 0.480 25969 7360 1 11 . 1 1 120 120 ARG N N 120 123.444 123.444 121.027 2.417 25969 7361 1 11 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.014 -0.089 25969 7362 1 11 . 1 1 120 120 ARG C C 120 172.028 172.028 173.097 -1.069 25969 7363 1 11 . 1 1 120 120 ARG CA C 120 53.668 53.668 52.848 0.820 25969 7364 1 11 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.111 1.450 25969 7365 1 11 . 1 1 120 120 ARG H H 120 9.238 9.238 9.176 0.062 25969 7366 1 11 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.746 -0.200 25969 7367 1 11 . 1 1 121 121 PRO C C 121 176.138 176.138 175.554 0.584 25969 7368 1 11 . 1 1 121 121 PRO CA C 121 64.020 64.020 62.884 1.136 25969 7369 1 11 . 1 1 121 121 PRO CB C 121 32.162 32.162 32.029 0.133 25969 7370 1 11 . 1 1 122 122 PHE N N 122 124.392 124.392 125.572 -1.180 25969 7371 1 11 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.775 -0.069 25969 7372 1 11 . 1 1 122 122 PHE C C 122 175.032 175.032 174.312 0.720 25969 7373 1 11 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.169 1.239 25969 7374 1 11 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.834 -2.457 25969 7375 1 11 . 1 1 122 122 PHE H H 122 8.335 8.335 8.900 -0.565 25969 7376 1 11 . 1 1 123 123 THR N N 123 118.912 118.912 114.367 4.545 25969 7377 1 11 . 1 1 123 123 THR HA H 123 4.140 4.140 4.574 -0.434 25969 7378 1 11 . 1 1 123 123 THR C C 123 173.071 173.071 173.954 -0.883 25969 7379 1 11 . 1 1 123 123 THR CA C 123 60.948 60.948 60.153 0.795 25969 7380 1 11 . 1 1 123 123 THR CB C 123 69.430 69.430 69.644 -0.214 25969 7381 1 11 . 1 1 123 123 THR H H 123 8.146 8.146 7.902 0.244 25969 7382 1 12 . 1 1 7 7 ARG N N 7 122.494 122.494 121.016 1.478 25969 7383 1 12 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.522 -0.172 25969 7384 1 12 . 1 1 7 7 ARG C C 7 177.037 177.037 174.876 2.161 25969 7385 1 12 . 1 1 7 7 ARG CA C 7 56.724 56.724 56.364 0.360 25969 7386 1 12 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.787 -0.906 25969 7387 1 12 . 1 1 7 7 ARG H H 7 8.649 8.649 8.334 0.315 25969 7388 1 12 . 1 1 8 8 SER N N 8 117.535 117.535 115.708 1.827 25969 7389 1 12 . 1 1 8 8 SER HA H 8 4.384 4.384 4.258 0.126 25969 7390 1 12 . 1 1 8 8 SER C C 8 174.613 174.613 174.373 0.240 25969 7391 1 12 . 1 1 8 8 SER CA C 8 59.412 59.412 58.548 0.864 25969 7392 1 12 . 1 1 8 8 SER CB C 8 63.686 63.686 62.606 1.080 25969 7393 1 12 . 1 1 8 8 SER H H 8 8.522 8.522 7.789 0.733 25969 7394 1 12 . 1 1 9 9 ALA N N 9 126.336 126.336 128.128 -1.792 25969 7395 1 12 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.512 -0.047 25969 7396 1 12 . 1 1 9 9 ALA C C 9 178.349 178.349 178.849 -0.500 25969 7397 1 12 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.580 0.487 25969 7398 1 12 . 1 1 9 9 ALA CB C 9 18.914 18.914 19.919 -1.005 25969 7399 1 12 . 1 1 9 9 ALA H H 9 8.415 8.415 8.176 0.239 25969 7400 1 12 . 1 1 10 10 ASN N N 10 121.438 121.438 118.532 2.906 25969 7401 1 12 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.728 -0.042 25969 7402 1 12 . 1 1 10 10 ASN C C 10 175.571 175.571 175.611 -0.040 25969 7403 1 12 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.768 -0.521 25969 7404 1 12 . 1 1 10 10 ASN CB C 10 39.125 39.125 36.868 2.257 25969 7405 1 12 . 1 1 10 10 ASN H H 10 9.263 9.263 9.240 0.023 25969 7406 1 12 . 1 1 11 11 LEU N N 11 125.021 125.021 121.126 3.895 25969 7407 1 12 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.949 0.672 25969 7408 1 12 . 1 1 11 11 LEU C C 11 178.567 178.567 177.713 0.854 25969 7409 1 12 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.330 1.556 25969 7410 1 12 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.114 1.146 25969 7411 1 12 . 1 1 11 11 LEU H H 11 8.560 8.560 7.889 0.671 25969 7412 1 12 . 1 1 12 12 ARG N N 12 117.977 117.977 117.963 0.014 25969 7413 1 12 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.155 -0.021 25969 7414 1 12 . 1 1 12 12 ARG C C 12 179.350 179.350 178.382 0.968 25969 7415 1 12 . 1 1 12 12 ARG CA C 12 60.347 60.347 57.770 2.577 25969 7416 1 12 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.749 0.942 25969 7417 1 12 . 1 1 12 12 ARG H H 12 8.114 8.114 8.250 -0.136 25969 7418 1 12 . 1 1 13 13 ALA N N 13 123.280 123.280 121.655 1.625 25969 7419 1 12 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.297 -0.084 25969 7420 1 12 . 1 1 13 13 ALA C C 13 180.957 180.957 179.251 1.706 25969 7421 1 12 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.372 0.030 25969 7422 1 12 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.390 -0.521 25969 7423 1 12 . 1 1 13 13 ALA H H 13 7.871 7.871 7.938 -0.067 25969 7424 1 12 . 1 1 14 14 ALA N N 14 122.111 122.111 121.184 0.927 25969 7425 1 12 . 1 1 14 14 ALA HA H 14 3.705 3.705 4.051 -0.346 25969 7426 1 12 . 1 1 14 14 ALA C C 14 178.578 178.578 179.207 -0.629 25969 7427 1 12 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.608 0.796 25969 7428 1 12 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.894 -0.634 25969 7429 1 12 . 1 1 14 14 ALA H H 14 7.930 7.930 7.314 0.616 25969 7430 1 12 . 1 1 15 15 HIS N N 15 118.502 118.502 117.733 0.769 25969 7431 1 12 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.205 -0.429 25969 7432 1 12 . 1 1 15 15 HIS C C 15 176.304 176.304 176.998 -0.694 25969 7433 1 12 . 1 1 15 15 HIS CA C 15 60.031 60.031 60.109 -0.078 25969 7434 1 12 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.665 1.705 25969 7435 1 12 . 1 1 15 15 HIS H H 15 8.422 8.422 8.803 -0.381 25969 7436 1 12 . 1 1 16 16 ALA N N 16 120.116 120.116 119.551 0.565 25969 7437 1 12 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.323 -0.469 25969 7438 1 12 . 1 1 16 16 ALA C C 16 180.644 180.644 178.733 1.911 25969 7439 1 12 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.791 1.679 25969 7440 1 12 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.751 -0.949 25969 7441 1 12 . 1 1 16 16 ALA H H 16 7.980 7.980 7.908 0.072 25969 7442 1 12 . 1 1 17 17 ALA N N 17 121.281 121.281 123.342 -2.061 25969 7443 1 12 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.051 0.125 25969 7444 1 12 . 1 1 17 17 ALA C C 17 180.122 180.122 179.109 1.013 25969 7445 1 12 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.850 -0.381 25969 7446 1 12 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.534 1.606 25969 7447 1 12 . 1 1 17 17 ALA H H 17 7.465 7.465 7.469 -0.004 25969 7448 1 12 . 1 1 18 18 LEU N N 18 120.262 120.262 118.276 1.986 25969 7449 1 12 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.071 -0.264 25969 7450 1 12 . 1 1 18 18 LEU C C 18 178.766 178.766 179.367 -0.601 25969 7451 1 12 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.362 1.381 25969 7452 1 12 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.860 0.851 25969 7453 1 12 . 1 1 18 18 LEU H H 18 8.468 8.468 8.530 -0.062 25969 7454 1 12 . 1 1 19 19 LEU N N 19 119.078 119.078 121.415 -2.337 25969 7455 1 12 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.161 -0.299 25969 7456 1 12 . 1 1 19 19 LEU C C 19 179.517 179.517 178.414 1.103 25969 7457 1 12 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.591 -0.582 25969 7458 1 12 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.053 0.392 25969 7459 1 12 . 1 1 19 19 LEU H H 19 8.029 8.029 7.519 0.510 25969 7460 1 12 . 1 1 20 20 GLU N N 20 121.499 121.499 119.542 1.957 25969 7461 1 12 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.027 -0.000 25969 7462 1 12 . 1 1 20 20 GLU C C 20 180.289 180.289 178.934 1.355 25969 7463 1 12 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.542 0.337 25969 7464 1 12 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.485 -0.195 25969 7465 1 12 . 1 1 20 20 GLU H H 20 7.895 7.895 8.695 -0.800 25969 7466 1 12 . 1 1 21 21 ASN N N 21 119.066 119.066 117.751 1.315 25969 7467 1 12 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.710 -0.172 25969 7468 1 12 . 1 1 21 21 ASN C C 21 177.368 177.368 177.400 -0.032 25969 7469 1 12 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.789 0.083 25969 7470 1 12 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.716 1.728 25969 7471 1 12 . 1 1 21 21 ASN H H 21 8.373 8.373 8.335 0.038 25969 7472 1 12 . 1 1 22 22 ALA N N 22 125.274 125.274 123.943 1.331 25969 7473 1 12 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.001 -0.228 25969 7474 1 12 . 1 1 22 22 ALA C C 22 179.402 179.402 179.875 -0.473 25969 7475 1 12 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.267 0.204 25969 7476 1 12 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.571 -0.351 25969 7477 1 12 . 1 1 22 22 ALA H H 22 8.886 8.886 8.481 0.405 25969 7478 1 12 . 1 1 23 23 ARG N N 23 119.945 119.945 117.109 2.836 25969 7479 1 12 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.153 0.044 25969 7480 1 12 . 1 1 23 23 ARG C C 23 179.726 179.726 178.253 1.473 25969 7481 1 12 . 1 1 23 23 ARG CA C 23 59.812 59.812 59.177 0.635 25969 7482 1 12 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.864 -0.173 25969 7483 1 12 . 1 1 23 23 ARG H H 23 8.168 8.168 8.346 -0.178 25969 7484 1 12 . 1 1 24 24 PHE N N 24 121.222 121.222 120.418 0.804 25969 7485 1 12 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.474 -0.107 25969 7486 1 12 . 1 1 24 24 PHE C C 24 177.410 177.410 177.842 -0.432 25969 7487 1 12 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.699 -0.351 25969 7488 1 12 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.093 -1.187 25969 7489 1 12 . 1 1 24 24 PHE H H 24 7.658 7.658 7.691 -0.033 25969 7490 1 12 . 1 1 25 25 MET N N 25 120.355 120.355 118.436 1.919 25969 7491 1 12 . 1 1 25 25 MET HA H 25 4.300 4.300 4.539 -0.239 25969 7492 1 12 . 1 1 25 25 MET C C 25 179.371 179.371 178.480 0.891 25969 7493 1 12 . 1 1 25 25 MET CA C 25 55.939 55.939 56.926 -0.987 25969 7494 1 12 . 1 1 25 25 MET CB C 25 29.424 29.424 31.137 -1.714 25969 7495 1 12 . 1 1 25 25 MET H H 25 8.358 8.358 9.035 -0.677 25969 7496 1 12 . 1 1 26 26 GLU N N 26 120.164 120.164 119.246 0.918 25969 7497 1 12 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.321 0.017 25969 7498 1 12 . 1 1 26 26 GLU C C 26 179.934 179.934 179.793 0.141 25969 7499 1 12 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.343 0.710 25969 7500 1 12 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.144 0.340 25969 7501 1 12 . 1 1 26 26 GLU H H 26 8.441 8.441 8.512 -0.071 25969 7502 1 12 . 1 1 27 27 GLN N N 27 121.309 121.309 119.599 1.710 25969 7503 1 12 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.168 -0.036 25969 7504 1 12 . 1 1 27 27 GLN C C 27 178.307 178.307 178.185 0.122 25969 7505 1 12 . 1 1 27 27 GLN CA C 27 58.610 58.610 58.500 0.110 25969 7506 1 12 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.951 -0.863 25969 7507 1 12 . 1 1 27 27 GLN H H 27 8.001 8.001 8.203 -0.202 25969 7508 1 12 . 1 1 28 28 PHE N N 28 124.569 124.569 121.551 3.018 25969 7509 1 12 . 1 1 28 28 PHE HA H 28 3.814 3.814 3.964 -0.150 25969 7510 1 12 . 1 1 28 28 PHE C C 28 177.717 177.717 177.403 0.314 25969 7511 1 12 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.504 0.688 25969 7512 1 12 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.093 0.250 25969 7513 1 12 . 1 1 28 28 PHE H H 28 8.760 8.760 8.478 0.282 25969 7514 1 12 . 1 1 29 29 TYR N N 29 121.726 121.726 119.366 2.360 25969 7515 1 12 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.042 -0.247 25969 7516 1 12 . 1 1 29 29 TYR C C 29 179.079 179.079 177.026 2.053 25969 7517 1 12 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.520 -0.572 25969 7518 1 12 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.417 0.290 25969 7519 1 12 . 1 1 29 29 TYR H H 29 8.956 8.956 8.310 0.646 25969 7520 1 12 . 1 1 30 30 ALA N N 30 121.142 121.142 119.800 1.342 25969 7521 1 12 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.087 -0.039 25969 7522 1 12 . 1 1 30 30 ALA C C 30 174.781 174.781 178.432 -3.651 25969 7523 1 12 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.142 0.728 25969 7524 1 12 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.296 -0.427 25969 7525 1 12 . 1 1 30 30 ALA H H 30 8.063 8.063 7.681 0.382 25969 7526 1 12 . 1 1 31 31 LYS N N 31 114.745 114.745 115.305 -0.560 25969 7527 1 12 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.204 -0.016 25969 7528 1 12 . 1 1 31 31 LYS C C 31 177.744 177.744 176.952 0.792 25969 7529 1 12 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.393 0.015 25969 7530 1 12 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.367 -0.192 25969 7531 1 12 . 1 1 31 31 LYS H H 31 7.172 7.172 7.801 -0.629 25969 7532 1 12 . 1 1 32 32 LYS N N 32 117.388 117.388 117.247 0.141 25969 7533 1 12 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.226 -0.113 25969 7534 1 12 . 1 1 32 32 LYS C C 32 177.747 177.747 176.450 1.297 25969 7535 1 12 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.130 -0.325 25969 7536 1 12 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.537 -0.639 25969 7537 1 12 . 1 1 32 32 LYS H H 32 8.154 8.154 7.741 0.413 25969 7538 1 12 . 1 1 33 33 GLY N N 33 109.017 109.017 105.926 3.091 25969 7539 1 12 . 1 1 33 33 GLY C C 33 171.798 171.798 173.408 -1.610 25969 7540 1 12 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.702 -0.051 25969 7541 1 12 . 1 1 33 33 GLY H H 33 8.945 8.945 8.203 0.742 25969 7542 1 12 . 1 1 34 34 SER N N 34 110.165 110.165 114.212 -4.047 25969 7543 1 12 . 1 1 34 34 SER HA H 34 4.136 4.136 5.185 -1.049 25969 7544 1 12 . 1 1 34 34 SER C C 34 172.862 172.862 173.552 -0.690 25969 7545 1 12 . 1 1 34 34 SER CA C 34 56.673 56.673 57.971 -1.298 25969 7546 1 12 . 1 1 34 34 SER CB C 34 64.621 64.621 66.257 -1.636 25969 7547 1 12 . 1 1 34 34 SER H H 34 6.756 6.756 7.823 -1.067 25969 7548 1 12 . 1 1 35 35 PHE N N 35 121.132 121.132 122.098 -0.966 25969 7549 1 12 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.738 0.376 25969 7550 1 12 . 1 1 35 35 PHE C C 35 172.888 172.888 176.637 -3.749 25969 7551 1 12 . 1 1 35 35 PHE CA C 35 59.260 59.260 59.345 -0.085 25969 7552 1 12 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.041 0.447 25969 7553 1 12 . 1 1 35 35 PHE H H 35 9.403 9.403 8.931 0.472 25969 7554 1 12 . 1 1 36 36 LYS N N 36 114.841 114.841 120.846 -6.005 25969 7555 1 12 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.319 0.065 25969 7556 1 12 . 1 1 36 36 LYS C C 36 177.118 177.118 176.953 0.165 25969 7557 1 12 . 1 1 36 36 LYS CA C 36 56.272 56.272 57.221 -0.949 25969 7558 1 12 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.278 -0.181 25969 7559 1 12 . 1 1 36 36 LYS H H 36 8.536 8.536 8.126 0.410 25969 7560 1 12 . 1 1 37 37 LEU N N 37 124.789 124.789 121.955 2.834 25969 7561 1 12 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.704 -0.254 25969 7562 1 12 . 1 1 37 37 LEU C C 37 177.535 177.535 177.122 0.413 25969 7563 1 12 . 1 1 37 37 LEU CA C 37 57.742 57.742 56.286 1.456 25969 7564 1 12 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.461 1.790 25969 7565 1 12 . 1 1 37 37 LEU H H 37 8.503 8.503 8.385 0.118 25969 7566 1 12 . 1 1 38 38 THR N N 38 108.556 108.556 112.858 -4.302 25969 7567 1 12 . 1 1 38 38 THR HA H 38 4.619 4.619 4.460 0.159 25969 7568 1 12 . 1 1 38 38 THR C C 38 173.947 173.947 173.144 0.803 25969 7569 1 12 . 1 1 38 38 THR CA C 38 58.944 58.944 60.066 -1.122 25969 7570 1 12 . 1 1 38 38 THR CB C 38 71.818 71.818 70.196 1.622 25969 7571 1 12 . 1 1 38 38 THR H H 38 8.189 8.189 7.546 0.643 25969 7572 1 12 . 1 1 39 39 SER N N 39 110.757 110.757 118.739 -7.982 25969 7573 1 12 . 1 1 39 39 SER HA H 39 4.057 4.057 4.445 -0.388 25969 7574 1 12 . 1 1 39 39 SER C C 39 174.904 174.904 174.787 0.117 25969 7575 1 12 . 1 1 39 39 SER CA C 39 60.938 60.938 59.767 1.171 25969 7576 1 12 . 1 1 39 39 SER CB C 39 63.218 63.218 63.522 -0.304 25969 7577 1 12 . 1 1 39 39 SER H H 39 8.590 8.590 8.603 -0.013 25969 7578 1 12 . 1 1 40 40 THR N N 40 129.807 129.807 112.881 16.926 25969 7579 1 12 . 1 1 40 40 THR HA H 40 4.453 4.453 3.863 0.590 25969 7580 1 12 . 1 1 40 40 THR C C 40 174.928 174.928 173.262 1.666 25969 7581 1 12 . 1 1 40 40 THR CA C 40 60.351 60.351 63.187 -2.836 25969 7582 1 12 . 1 1 40 40 THR CB C 40 69.910 69.910 67.738 2.172 25969 7583 1 12 . 1 1 40 40 THR H H 40 7.570 7.570 8.466 -0.896 25969 7584 1 12 . 1 1 41 41 LYS N N 41 125.614 125.614 119.491 6.123 25969 7585 1 12 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.614 0.098 25969 7586 1 12 . 1 1 41 41 LYS C C 41 174.907 174.907 174.336 0.571 25969 7587 1 12 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.729 1.009 25969 7588 1 12 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.718 1.324 25969 7589 1 12 . 1 1 41 41 LYS H H 41 7.425 7.425 7.792 -0.367 25969 7590 1 12 . 1 1 42 42 TRP N N 42 124.827 124.827 123.120 1.707 25969 7591 1 12 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.108 -0.006 25969 7592 1 12 . 1 1 42 42 TRP C C 42 173.384 173.384 174.636 -1.252 25969 7593 1 12 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.959 1.443 25969 7594 1 12 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.782 0.109 25969 7595 1 12 . 1 1 42 42 TRP H H 42 8.590 8.590 8.697 -0.107 25969 7596 1 12 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.430 0.017 25969 7597 1 12 . 1 1 43 43 PRO C C 43 174.990 174.990 176.038 -1.048 25969 7598 1 12 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.826 -0.275 25969 7599 1 12 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.270 -0.175 25969 7600 1 12 . 1 1 44 44 GLU N N 44 120.080 120.080 124.452 -4.372 25969 7601 1 12 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.221 -0.256 25969 7602 1 12 . 1 1 44 44 GLU C C 44 175.699 175.699 175.935 -0.236 25969 7603 1 12 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.608 -0.402 25969 7604 1 12 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.517 -0.935 25969 7605 1 12 . 1 1 44 44 GLU H H 44 8.134 8.134 8.375 -0.241 25969 7606 1 12 . 1 1 45 45 LEU N N 45 125.972 125.972 123.984 1.988 25969 7607 1 12 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.650 -0.687 25969 7608 1 12 . 1 1 45 45 LEU C C 45 176.242 176.242 175.322 0.920 25969 7609 1 12 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.885 -1.154 25969 7610 1 12 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.866 -0.554 25969 7611 1 12 . 1 1 45 45 LEU H H 45 8.363 8.363 8.295 0.068 25969 7612 1 12 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.154 0.020 25969 7613 1 12 . 1 1 46 46 PRO C C 46 177.702 177.702 176.040 1.662 25969 7614 1 12 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.584 0.236 25969 7615 1 12 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.956 -0.395 25969 7616 1 12 . 1 1 47 47 VAL N N 47 119.474 119.474 117.970 1.504 25969 7617 1 12 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.909 0.326 25969 7618 1 12 . 1 1 47 47 VAL C C 47 175.178 175.178 175.234 -0.056 25969 7619 1 12 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.555 -0.539 25969 7620 1 12 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.913 -0.765 25969 7621 1 12 . 1 1 47 47 VAL H H 47 7.836 7.836 7.974 -0.138 25969 7622 1 12 . 1 1 48 48 LYS N N 48 124.385 124.385 123.707 0.678 25969 7623 1 12 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.575 -0.266 25969 7624 1 12 . 1 1 48 48 LYS C C 48 176.534 176.534 175.429 1.105 25969 7625 1 12 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.254 0.887 25969 7626 1 12 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.574 0.258 25969 7627 1 12 . 1 1 48 48 LYS H H 48 8.638 8.638 8.377 0.261 25969 7628 1 12 . 1 1 49 49 GLU N N 49 118.262 118.262 118.375 -0.113 25969 7629 1 12 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.572 0.659 25969 7630 1 12 . 1 1 49 49 GLU C C 49 174.552 174.552 174.391 0.161 25969 7631 1 12 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.842 -0.571 25969 7632 1 12 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.678 1.619 25969 7633 1 12 . 1 1 49 49 GLU H H 49 7.473 7.473 7.753 -0.280 25969 7634 1 12 . 1 1 50 50 ALA N N 50 124.186 124.186 127.855 -3.669 25969 7635 1 12 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.616 -0.165 25969 7636 1 12 . 1 1 50 50 ALA C C 50 177.890 177.890 177.617 0.273 25969 7637 1 12 . 1 1 50 50 ALA CA C 50 53.133 53.133 51.464 1.669 25969 7638 1 12 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.277 3.336 25969 7639 1 12 . 1 1 50 50 ALA H H 50 8.902 8.902 8.766 0.136 25969 7640 1 12 . 1 1 51 51 GLY N N 51 109.041 109.041 105.181 3.860 25969 7641 1 12 . 1 1 51 51 GLY C C 51 173.759 173.759 174.870 -1.111 25969 7642 1 12 . 1 1 51 51 GLY CA C 51 47.657 47.657 46.541 1.116 25969 7643 1 12 . 1 1 51 51 GLY H H 51 9.113 9.113 8.722 0.391 25969 7644 1 12 . 1 1 52 52 GLY N N 52 104.272 104.272 105.094 -0.822 25969 7645 1 12 . 1 1 52 52 GLY C C 52 174.156 174.156 172.918 1.238 25969 7646 1 12 . 1 1 52 52 GLY CA C 52 45.520 45.520 45.144 0.376 25969 7647 1 12 . 1 1 52 52 GLY H H 52 8.873 8.873 8.271 0.602 25969 7648 1 12 . 1 1 53 53 PHE N N 53 120.324 120.324 119.617 0.707 25969 7649 1 12 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.294 -0.137 25969 7650 1 12 . 1 1 53 53 PHE C C 53 175.574 175.574 174.220 1.354 25969 7651 1 12 . 1 1 53 53 PHE CA C 53 56.940 56.940 55.496 1.444 25969 7652 1 12 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.083 -1.704 25969 7653 1 12 . 1 1 53 53 PHE H H 53 8.278 8.278 7.580 0.698 25969 7654 1 12 . 1 1 54 54 CYS N N 54 116.465 116.465 120.288 -3.823 25969 7655 1 12 . 1 1 54 54 CYS HA H 54 5.660 5.660 4.827 0.833 25969 7656 1 12 . 1 1 54 54 CYS C C 54 173.092 173.092 173.199 -0.107 25969 7657 1 12 . 1 1 54 54 CYS CA C 54 54.997 54.997 58.491 -3.494 25969 7658 1 12 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.700 14.796 25969 7659 1 12 . 1 1 54 54 CYS H H 54 9.911 9.911 9.034 0.877 25969 7660 1 12 . 1 1 55 55 ILE N N 55 119.910 119.910 125.493 -5.583 25969 7661 1 12 . 1 1 55 55 ILE HA H 55 5.311 5.311 4.821 0.490 25969 7662 1 12 . 1 1 55 55 ILE C C 55 175.366 175.366 175.229 0.137 25969 7663 1 12 . 1 1 55 55 ILE CA C 55 60.480 60.480 59.974 0.506 25969 7664 1 12 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.547 -0.848 25969 7665 1 12 . 1 1 55 55 ILE H H 55 7.971 7.971 8.665 -0.694 25969 7666 1 12 . 1 1 56 56 ARG N N 56 122.445 122.445 121.335 1.110 25969 7667 1 12 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.691 -0.070 25969 7668 1 12 . 1 1 56 56 ARG C C 56 174.948 174.948 174.201 0.747 25969 7669 1 12 . 1 1 56 56 ARG CA C 56 53.467 53.467 54.299 -0.832 25969 7670 1 12 . 1 1 56 56 ARG CB C 56 36.410 36.410 34.960 1.450 25969 7671 1 12 . 1 1 56 56 ARG H H 56 8.927 8.927 8.067 0.860 25969 7672 1 12 . 1 1 57 57 MET N N 57 119.875 119.875 120.219 -0.344 25969 7673 1 12 . 1 1 57 57 MET HA H 57 4.574 4.574 4.364 0.210 25969 7674 1 12 . 1 1 57 57 MET C C 57 175.845 175.845 175.977 -0.132 25969 7675 1 12 . 1 1 57 57 MET CA C 57 55.204 55.204 56.637 -1.433 25969 7676 1 12 . 1 1 57 57 MET CB C 57 32.162 32.162 33.820 -1.658 25969 7677 1 12 . 1 1 57 57 MET H H 57 9.022 9.022 8.731 0.291 25969 7678 1 12 . 1 1 58 58 SER N N 58 114.338 114.338 117.670 -3.332 25969 7679 1 12 . 1 1 58 58 SER HA H 58 5.138 5.138 4.321 0.817 25969 7680 1 12 . 1 1 58 58 SER C C 58 175.866 175.866 175.098 0.768 25969 7681 1 12 . 1 1 58 58 SER CA C 58 56.084 56.084 60.064 -3.980 25969 7682 1 12 . 1 1 58 58 SER CB C 58 63.977 63.977 63.883 0.094 25969 7683 1 12 . 1 1 58 58 SER H H 58 8.559 8.559 8.488 0.071 25969 7684 1 12 . 1 1 59 59 GLY N N 59 116.880 116.880 108.606 8.274 25969 7685 1 12 . 1 1 59 59 GLY C C 59 172.257 172.257 173.892 -1.635 25969 7686 1 12 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.274 -1.572 25969 7687 1 12 . 1 1 59 59 GLY H H 59 8.919 8.919 8.003 0.916 25969 7688 1 12 . 1 1 60 60 GLN N N 60 121.745 121.745 118.982 2.763 25969 7689 1 12 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.543 -0.152 25969 7690 1 12 . 1 1 60 60 GLN C C 60 177.222 177.222 176.938 0.284 25969 7691 1 12 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.082 -0.077 25969 7692 1 12 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.456 -0.614 25969 7693 1 12 . 1 1 60 60 GLN H H 60 8.575 8.575 8.312 0.263 25969 7694 1 12 . 1 1 61 61 ALA N N 61 128.305 128.305 124.452 3.853 25969 7695 1 12 . 1 1 61 61 ALA HA H 61 3.399 3.399 4.017 -0.618 25969 7696 1 12 . 1 1 61 61 ALA C C 61 178.704 178.704 179.264 -0.560 25969 7697 1 12 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.995 0.294 25969 7698 1 12 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.923 -1.991 25969 7699 1 12 . 1 1 61 61 ALA H H 61 8.576 8.576 7.977 0.599 25969 7700 1 12 . 1 1 62 62 LYS N N 62 114.337 114.337 118.218 -3.881 25969 7701 1 12 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.209 -0.033 25969 7702 1 12 . 1 1 62 62 LYS C C 62 177.327 177.327 177.416 -0.089 25969 7703 1 12 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.421 0.655 25969 7704 1 12 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.471 -0.176 25969 7705 1 12 . 1 1 62 62 LYS H H 62 8.272 8.272 8.114 0.158 25969 7706 1 12 . 1 1 63 63 GLY N N 63 107.059 107.059 108.705 -1.646 25969 7707 1 12 . 1 1 63 63 GLY C C 63 173.759 173.759 173.533 0.226 25969 7708 1 12 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.577 0.208 25969 7709 1 12 . 1 1 63 63 GLY H H 63 7.813 7.813 8.076 -0.263 25969 7710 1 12 . 1 1 64 64 ILE N N 64 122.496 122.496 121.466 1.030 25969 7711 1 12 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.417 0.039 25969 7712 1 12 . 1 1 64 64 ILE C C 64 176.033 176.033 176.140 -0.107 25969 7713 1 12 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.768 0.775 25969 7714 1 12 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.443 -2.471 25969 7715 1 12 . 1 1 64 64 ILE H H 64 7.256 7.256 7.914 -0.658 25969 7716 1 12 . 1 1 65 65 LEU N N 65 128.858 128.858 123.012 5.846 25969 7717 1 12 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.118 0.135 25969 7718 1 12 . 1 1 65 65 LEU C C 65 178.203 178.203 175.977 2.226 25969 7719 1 12 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.367 -0.829 25969 7720 1 12 . 1 1 65 65 LEU CB C 65 42.536 42.536 42.034 0.502 25969 7721 1 12 . 1 1 65 65 LEU H H 65 8.417 8.417 8.576 -0.159 25969 7722 1 12 . 1 1 66 66 GLU N N 66 119.109 119.109 124.100 -4.991 25969 7723 1 12 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.660 -0.419 25969 7724 1 12 . 1 1 66 66 GLU C C 66 177.436 177.436 176.469 0.967 25969 7725 1 12 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.251 1.007 25969 7726 1 12 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.655 -2.556 25969 7727 1 12 . 1 1 66 66 GLU H H 66 8.590 8.590 8.491 0.099 25969 7728 1 12 . 1 1 67 67 GLY N N 67 108.490 108.490 111.889 -3.399 25969 7729 1 12 . 1 1 67 67 GLY C C 67 173.551 173.551 173.352 0.199 25969 7730 1 12 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.544 0.577 25969 7731 1 12 . 1 1 67 67 GLY H H 67 9.498 9.498 8.858 0.640 25969 7732 1 12 . 1 1 68 68 LYS N N 68 117.773 117.773 119.955 -2.182 25969 7733 1 12 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.597 0.199 25969 7734 1 12 . 1 1 68 68 LYS C C 68 175.637 175.637 174.506 1.131 25969 7735 1 12 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.552 -0.283 25969 7736 1 12 . 1 1 68 68 LYS CB C 68 35.702 35.702 35.156 0.546 25969 7737 1 12 . 1 1 68 68 LYS H H 68 7.604 7.604 7.510 0.094 25969 7738 1 12 . 1 1 69 69 PHE N N 69 114.518 114.518 122.883 -8.365 25969 7739 1 12 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.529 -0.057 25969 7740 1 12 . 1 1 69 69 PHE C C 69 172.591 172.591 174.305 -1.714 25969 7741 1 12 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.384 3.694 25969 7742 1 12 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.819 0.558 25969 7743 1 12 . 1 1 69 69 PHE H H 69 8.439 8.439 8.613 -0.174 25969 7744 1 12 . 1 1 70 70 THR N N 70 115.260 115.260 117.455 -2.195 25969 7745 1 12 . 1 1 70 70 THR HA H 70 4.602 4.602 4.799 -0.197 25969 7746 1 12 . 1 1 70 70 THR C C 70 172.508 172.508 172.480 0.028 25969 7747 1 12 . 1 1 70 70 THR CA C 70 62.484 62.484 61.696 0.788 25969 7748 1 12 . 1 1 70 70 THR CB C 70 71.367 71.367 72.137 -0.770 25969 7749 1 12 . 1 1 70 70 THR H H 70 8.474 8.474 8.446 0.028 25969 7750 1 12 . 1 1 71 71 LEU N N 71 128.144 128.144 122.578 5.566 25969 7751 1 12 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.759 -0.251 25969 7752 1 12 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.644 0.291 25969 7753 1 12 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.746 1.109 25969 7754 1 12 . 1 1 71 71 LEU H H 71 9.284 9.284 8.120 1.164 25969 7755 1 12 . 1 1 72 72 LYS N N 72 122.603 122.603 122.339 0.264 25969 7756 1 12 . 1 1 72 72 LYS HA H 72 5.388 5.388 4.988 0.400 25969 7757 1 12 . 1 1 72 72 LYS C C 72 171.972 171.972 175.096 -3.124 25969 7758 1 12 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.399 0.003 25969 7759 1 12 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.053 3.539 25969 7760 1 12 . 1 1 72 72 LYS H H 72 9.123 9.123 7.974 1.149 25969 7761 1 12 . 1 1 73 73 ALA N N 73 128.927 128.927 129.567 -0.640 25969 7762 1 12 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.362 0.489 25969 7763 1 12 . 1 1 73 73 ALA C C 73 175.324 175.324 175.860 -0.536 25969 7764 1 12 . 1 1 73 73 ALA CA C 73 49.126 49.126 50.049 -0.923 25969 7765 1 12 . 1 1 73 73 ALA CB C 73 21.476 21.476 21.584 -0.108 25969 7766 1 12 . 1 1 73 73 ALA H H 73 9.178 9.178 8.864 0.314 25969 7767 1 12 . 1 1 74 74 VAL N N 74 123.425 123.425 120.700 2.725 25969 7768 1 12 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.015 0.124 25969 7769 1 12 . 1 1 74 74 VAL C C 74 173.425 173.425 174.732 -1.307 25969 7770 1 12 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.554 0.296 25969 7771 1 12 . 1 1 74 74 VAL CB C 74 35.768 35.768 35.815 -0.047 25969 7772 1 12 . 1 1 74 74 VAL H H 74 8.727 8.727 8.779 -0.052 25969 7773 1 12 . 1 1 75 75 ALA N N 75 130.762 130.762 128.724 2.038 25969 7774 1 12 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.350 0.308 25969 7775 1 12 . 1 1 75 75 ALA C C 75 177.327 177.327 178.528 -1.201 25969 7776 1 12 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.152 1.048 25969 7777 1 12 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.778 0.828 25969 7778 1 12 . 1 1 75 75 ALA H H 75 9.164 9.164 7.340 1.824 25969 7779 1 12 . 1 1 76 76 LEU N N 76 119.175 119.175 122.699 -3.524 25969 7780 1 12 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.078 -0.284 25969 7781 1 12 . 1 1 76 76 LEU C C 76 178.036 178.036 177.878 0.158 25969 7782 1 12 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.059 1.217 25969 7783 1 12 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.105 -0.259 25969 7784 1 12 . 1 1 76 76 LEU H H 76 8.269 8.269 8.682 -0.413 25969 7785 1 12 . 1 1 77 77 ASP N N 77 115.777 115.777 115.794 -0.017 25969 7786 1 12 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.767 0.029 25969 7787 1 12 . 1 1 77 77 ASP C C 77 176.012 176.012 176.806 -0.794 25969 7788 1 12 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.927 -2.196 25969 7789 1 12 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.232 -0.056 25969 7790 1 12 . 1 1 77 77 ASP H H 77 7.715 7.715 8.198 -0.483 25969 7791 1 12 . 1 1 78 78 ARG N N 78 122.846 122.846 119.596 3.250 25969 7792 1 12 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.095 -0.012 25969 7793 1 12 . 1 1 78 78 ARG C C 78 177.869 177.869 176.981 0.888 25969 7794 1 12 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.414 -1.006 25969 7795 1 12 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.187 0.437 25969 7796 1 12 . 1 1 78 78 ARG H H 78 8.408 8.408 7.183 1.225 25969 7797 1 12 . 1 1 79 79 GLU N N 79 118.091 118.091 118.910 -0.819 25969 7798 1 12 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.034 -0.015 25969 7799 1 12 . 1 1 79 79 GLU C C 79 177.930 177.930 177.172 0.758 25969 7800 1 12 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.400 -0.076 25969 7801 1 12 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.232 -0.098 25969 7802 1 12 . 1 1 79 79 GLU H H 79 7.888 7.888 8.312 -0.424 25969 7803 1 12 . 1 1 80 80 ALA N N 80 120.528 120.528 119.129 1.399 25969 7804 1 12 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.427 -0.325 25969 7805 1 12 . 1 1 80 80 ALA C C 80 178.142 178.142 176.891 1.251 25969 7806 1 12 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.902 0.165 25969 7807 1 12 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.628 -1.356 25969 7808 1 12 . 1 1 80 80 ALA H H 80 7.175 7.175 8.002 -0.827 25969 7809 1 12 . 1 1 81 81 GLU N N 81 115.377 115.377 117.766 -2.389 25969 7810 1 12 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.880 -0.118 25969 7811 1 12 . 1 1 81 81 GLU C C 81 171.047 171.047 175.048 -4.001 25969 7812 1 12 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.647 -0.449 25969 7813 1 12 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.123 1.570 25969 7814 1 12 . 1 1 81 81 GLU H H 81 7.457 7.457 7.579 -0.122 25969 7815 1 12 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.194 0.503 25969 7816 1 12 . 1 1 82 82 PRO C C 82 177.636 177.636 177.004 0.632 25969 7817 1 12 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.602 -1.011 25969 7818 1 12 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.961 0.871 25969 7819 1 12 . 1 1 83 83 ARG N N 83 118.488 118.488 118.048 0.440 25969 7820 1 12 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.580 -0.006 25969 7821 1 12 . 1 1 83 83 ARG C C 83 176.870 176.870 175.590 1.280 25969 7822 1 12 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.479 -0.435 25969 7823 1 12 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.869 0.307 25969 7824 1 12 . 1 1 83 83 ARG H H 83 8.554 8.554 8.045 0.509 25969 7825 1 12 . 1 1 84 84 VAL N N 84 111.376 111.376 118.863 -7.487 25969 7826 1 12 . 1 1 84 84 VAL HA H 84 5.027 5.027 4.840 0.187 25969 7827 1 12 . 1 1 84 84 VAL C C 84 174.302 174.302 174.221 0.081 25969 7828 1 12 . 1 1 84 84 VAL CA C 84 58.543 58.543 60.813 -2.271 25969 7829 1 12 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.942 -0.252 25969 7830 1 12 . 1 1 84 84 VAL H H 84 8.304 8.304 8.333 -0.029 25969 7831 1 12 . 1 1 85 85 LEU N N 85 122.000 122.000 122.300 -0.300 25969 7832 1 12 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.175 0.153 25969 7833 1 12 . 1 1 85 85 LEU C C 85 175.491 175.491 174.311 1.180 25969 7834 1 12 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.074 -0.208 25969 7835 1 12 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.933 0.189 25969 7836 1 12 . 1 1 85 85 LEU H H 85 8.095 8.095 8.661 -0.566 25969 7837 1 12 . 1 1 86 86 ARG N N 86 119.409 119.409 121.381 -1.972 25969 7838 1 12 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.363 0.107 25969 7839 1 12 . 1 1 86 86 ARG C C 86 174.928 174.928 173.465 1.463 25969 7840 1 12 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.883 -0.681 25969 7841 1 12 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.385 1.250 25969 7842 1 12 . 1 1 86 86 ARG H H 86 8.851 8.851 8.182 0.669 25969 7843 1 12 . 1 1 87 87 LEU N N 87 122.550 122.550 124.203 -1.653 25969 7844 1 12 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.026 0.048 25969 7845 1 12 . 1 1 87 87 LEU C C 87 174.406 174.406 174.301 0.105 25969 7846 1 12 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.939 1.065 25969 7847 1 12 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.377 1.747 25969 7848 1 12 . 1 1 87 87 LEU H H 87 8.798 8.798 8.103 0.695 25969 7849 1 12 . 1 1 88 88 ASN N N 88 125.347 125.347 123.974 1.373 25969 7850 1 12 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.502 -0.079 25969 7851 1 12 . 1 1 88 88 ASN C C 88 176.576 176.576 176.832 -0.256 25969 7852 1 12 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.326 -0.463 25969 7853 1 12 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.196 0.381 25969 7854 1 12 . 1 1 88 88 ASN H H 88 7.376 7.376 8.150 -0.774 25969 7855 1 12 . 1 1 89 89 GLU N N 89 114.953 114.953 119.755 -4.802 25969 7856 1 12 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.242 -0.846 25969 7857 1 12 . 1 1 89 89 GLU C C 89 176.684 176.684 176.922 -0.238 25969 7858 1 12 . 1 1 89 89 GLU CA C 89 58.540 58.540 59.142 -0.602 25969 7859 1 12 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.807 -0.937 25969 7860 1 12 . 1 1 89 89 GLU H H 89 7.586 7.586 8.331 -0.745 25969 7861 1 12 . 1 1 90 90 SER N N 90 117.110 117.110 112.429 4.681 25969 7862 1 12 . 1 1 90 90 SER HA H 90 4.442 4.442 4.408 0.034 25969 7863 1 12 . 1 1 90 90 SER C C 90 174.051 174.051 175.281 -1.230 25969 7864 1 12 . 1 1 90 90 SER CA C 90 58.895 58.895 57.978 0.916 25969 7865 1 12 . 1 1 90 90 SER CB C 90 63.886 63.886 63.562 0.324 25969 7866 1 12 . 1 1 90 90 SER H H 90 7.385 7.385 7.955 -0.570 25969 7867 1 12 . 1 1 91 91 LEU N N 91 116.559 116.559 118.385 -1.826 25969 7868 1 12 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.009 -0.312 25969 7869 1 12 . 1 1 91 91 LEU C C 91 175.825 175.825 175.834 -0.009 25969 7870 1 12 . 1 1 91 91 LEU CA C 91 56.042 56.042 56.066 -0.024 25969 7871 1 12 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.017 -1.312 25969 7872 1 12 . 1 1 91 91 LEU H H 91 8.704 8.704 7.966 0.738 25969 7873 1 12 . 1 1 92 92 THR N N 92 115.529 115.529 115.582 -0.053 25969 7874 1 12 . 1 1 92 92 THR HA H 92 4.254 4.254 4.386 -0.132 25969 7875 1 12 . 1 1 92 92 THR C C 92 173.425 173.425 173.062 0.363 25969 7876 1 12 . 1 1 92 92 THR CA C 92 62.617 62.617 62.807 -0.190 25969 7877 1 12 . 1 1 92 92 THR CB C 92 69.096 69.096 69.593 -0.497 25969 7878 1 12 . 1 1 92 92 THR H H 92 7.704 7.704 8.231 -0.527 25969 7879 1 12 . 1 1 93 93 ALA N N 93 130.459 130.459 131.405 -0.946 25969 7880 1 12 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.438 0.249 25969 7881 1 12 . 1 1 93 93 ALA C C 93 177.201 177.201 175.560 1.641 25969 7882 1 12 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.582 0.680 25969 7883 1 12 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.021 -0.211 25969 7884 1 12 . 1 1 93 93 ALA H H 93 9.002 9.002 8.406 0.596 25969 7885 1 12 . 1 1 94 94 VAL N N 94 117.872 117.872 120.492 -2.620 25969 7886 1 12 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.775 0.129 25969 7887 1 12 . 1 1 94 94 VAL C C 94 173.613 173.613 173.829 -0.216 25969 7888 1 12 . 1 1 94 94 VAL CA C 94 59.679 59.679 61.150 -1.471 25969 7889 1 12 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.432 -0.396 25969 7890 1 12 . 1 1 94 94 VAL H H 94 8.833 8.833 8.254 0.579 25969 7891 1 12 . 1 1 95 95 VAL N N 95 121.842 121.842 128.010 -6.168 25969 7892 1 12 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.926 0.327 25969 7893 1 12 . 1 1 95 95 VAL C C 95 174.552 174.552 173.706 0.846 25969 7894 1 12 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.391 -0.449 25969 7895 1 12 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.173 0.727 25969 7896 1 12 . 1 1 95 95 VAL H H 95 9.286 9.286 8.826 0.460 25969 7897 1 12 . 1 1 96 96 CYS N N 96 126.839 126.839 123.704 3.135 25969 7898 1 12 . 1 1 96 96 CYS HA H 96 5.423 5.423 5.015 0.408 25969 7899 1 12 . 1 1 96 96 CYS C C 96 174.135 174.135 175.474 -1.339 25969 7900 1 12 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.918 -3.649 25969 7901 1 12 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.941 15.514 25969 7902 1 12 . 1 1 96 96 CYS H H 96 9.452 9.452 9.002 0.450 25969 7903 1 12 . 1 1 97 97 GLY N N 97 109.718 109.718 108.511 1.207 25969 7904 1 12 . 1 1 97 97 GLY C C 97 172.639 172.639 173.172 -0.533 25969 7905 1 12 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.189 1.199 25969 7906 1 12 . 1 1 97 97 GLY H H 97 8.355 8.355 8.769 -0.414 25969 7907 1 12 . 1 1 98 98 LYS N N 98 114.844 114.844 119.413 -4.569 25969 7908 1 12 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.643 0.101 25969 7909 1 12 . 1 1 98 98 LYS C C 98 174.051 174.051 174.257 -0.206 25969 7910 1 12 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.558 -1.222 25969 7911 1 12 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.849 -0.321 25969 7912 1 12 . 1 1 98 98 LYS H H 98 7.632 7.632 7.705 -0.073 25969 7913 1 12 . 1 1 99 99 MET N N 99 124.801 124.801 127.506 -2.705 25969 7914 1 12 . 1 1 99 99 MET HA H 99 5.017 5.017 4.701 0.316 25969 7915 1 12 . 1 1 99 99 MET C C 99 176.337 176.337 174.703 1.634 25969 7916 1 12 . 1 1 99 99 MET CA C 99 54.803 54.803 55.278 -0.475 25969 7917 1 12 . 1 1 99 99 MET CB C 99 34.646 34.646 33.939 0.707 25969 7918 1 12 . 1 1 99 99 MET H H 99 8.759 8.759 8.830 -0.071 25969 7919 1 12 . 1 1 100 100 LYS N N 100 126.252 126.252 125.753 0.499 25969 7920 1 12 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.413 -0.037 25969 7921 1 12 . 1 1 100 100 LYS C C 100 177.222 177.222 177.582 -0.360 25969 7922 1 12 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.139 -0.684 25969 7923 1 12 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.121 -0.692 25969 7924 1 12 . 1 1 100 100 LYS H H 100 8.602 8.602 8.119 0.483 25969 7925 1 12 . 1 1 101 101 GLY N N 101 108.944 108.944 106.700 2.244 25969 7926 1 12 . 1 1 101 101 GLY C C 101 173.613 173.613 174.077 -0.464 25969 7927 1 12 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.482 0.103 25969 7928 1 12 . 1 1 101 101 GLY H H 101 8.385 8.385 7.750 0.635 25969 7929 1 12 . 1 1 102 102 LYS N N 102 118.594 118.594 120.335 -1.741 25969 7930 1 12 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.119 0.295 25969 7931 1 12 . 1 1 102 102 LYS C C 102 176.867 176.867 176.051 0.816 25969 7932 1 12 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.723 -1.851 25969 7933 1 12 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.668 1.355 25969 7934 1 12 . 1 1 102 102 LYS H H 102 8.436 8.436 8.300 0.136 25969 7935 1 12 . 1 1 103 103 GLY N N 103 110.581 110.581 108.908 1.673 25969 7936 1 12 . 1 1 103 103 GLY C C 103 171.631 171.631 172.636 -1.005 25969 7937 1 12 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.473 1.447 25969 7938 1 12 . 1 1 103 103 GLY H H 103 8.443 8.443 8.077 0.366 25969 7939 1 12 . 1 1 104 104 SER N N 104 113.710 113.710 116.811 -3.101 25969 7940 1 12 . 1 1 104 104 SER HA H 104 4.697 4.697 4.745 -0.048 25969 7941 1 12 . 1 1 104 104 SER C C 104 174.680 174.680 174.257 0.423 25969 7942 1 12 . 1 1 104 104 SER CA C 104 57.331 57.331 56.965 0.367 25969 7943 1 12 . 1 1 104 104 SER CB C 104 66.178 66.178 66.014 0.163 25969 7944 1 12 . 1 1 104 104 SER H H 104 8.535 8.535 8.104 0.431 25969 7945 1 12 . 1 1 105 105 CYS N N 105 118.835 118.835 122.231 -3.396 25969 7946 1 12 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.260 0.352 25969 7947 1 12 . 1 1 105 105 CYS C C 105 176.502 176.502 175.481 1.021 25969 7948 1 12 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.827 -3.691 25969 7949 1 12 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.194 13.218 25969 7950 1 12 . 1 1 105 105 CYS H H 105 10.009 10.009 8.576 1.433 25969 7951 1 12 . 1 1 106 106 THR N N 106 107.957 107.957 110.736 -2.779 25969 7952 1 12 . 1 1 106 106 THR HA H 106 4.574 4.574 3.997 0.577 25969 7953 1 12 . 1 1 106 106 THR C C 106 175.178 175.178 173.890 1.288 25969 7954 1 12 . 1 1 106 106 THR CA C 106 61.014 61.014 64.195 -3.181 25969 7955 1 12 . 1 1 106 106 THR CB C 106 68.495 68.495 68.030 0.465 25969 7956 1 12 . 1 1 106 106 THR H H 106 8.030 8.030 8.636 -0.606 25969 7957 1 12 . 1 1 107 107 ASP N N 107 120.763 120.763 121.704 -0.941 25969 7958 1 12 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.747 -0.427 25969 7959 1 12 . 1 1 107 107 ASP C C 107 177.264 177.264 176.704 0.560 25969 7960 1 12 . 1 1 107 107 ASP CA C 107 55.004 55.004 55.088 -0.084 25969 7961 1 12 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.712 -2.868 25969 7962 1 12 . 1 1 107 107 ASP H H 107 7.531 7.531 7.735 -0.204 25969 7963 1 12 . 1 1 108 108 GLY N N 108 108.602 108.602 109.361 -0.759 25969 7964 1 12 . 1 1 108 108 GLY C C 108 174.698 174.698 173.172 1.526 25969 7965 1 12 . 1 1 108 108 GLY CA C 108 45.653 45.653 45.188 0.465 25969 7966 1 12 . 1 1 108 108 GLY H H 108 8.591 8.591 7.632 0.959 25969 7967 1 12 . 1 1 109 109 GLU N N 109 120.191 120.191 120.642 -0.451 25969 7968 1 12 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.144 0.308 25969 7969 1 12 . 1 1 109 109 GLU C C 109 176.472 176.472 176.490 -0.018 25969 7970 1 12 . 1 1 109 109 GLU CA C 109 55.678 55.678 57.311 -1.633 25969 7971 1 12 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.265 0.619 25969 7972 1 12 . 1 1 109 109 GLU H H 109 8.292 8.292 8.245 0.047 25969 7973 1 12 . 1 1 110 110 GLU N N 110 116.857 116.857 120.615 -3.758 25969 7974 1 12 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.234 -0.018 25969 7975 1 12 . 1 1 110 110 GLU C C 110 176.381 176.381 174.807 1.574 25969 7976 1 12 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.945 0.191 25969 7977 1 12 . 1 1 110 110 GLU CB C 110 31.273 31.273 30.793 0.481 25969 7978 1 12 . 1 1 110 110 GLU H H 110 9.028 9.028 8.758 0.270 25969 7979 1 12 . 1 1 111 111 ILE N N 111 109.164 109.164 113.833 -4.669 25969 7980 1 12 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.968 -0.133 25969 7981 1 12 . 1 1 111 111 ILE C C 111 176.868 176.868 174.325 2.543 25969 7982 1 12 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.232 -0.090 25969 7983 1 12 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.768 1.347 25969 7984 1 12 . 1 1 111 111 ILE H H 111 7.022 7.022 7.266 -0.244 25969 7985 1 12 . 1 1 112 112 PHE N N 112 118.509 118.509 123.185 -4.676 25969 7986 1 12 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.879 0.233 25969 7987 1 12 . 1 1 112 112 PHE C C 112 174.171 174.171 173.528 0.643 25969 7988 1 12 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.396 2.395 25969 7989 1 12 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.185 3.674 25969 7990 1 12 . 1 1 112 112 PHE H H 112 8.605 8.605 8.114 0.491 25969 7991 1 12 . 1 1 113 113 ARG N N 113 119.908 119.908 122.656 -2.748 25969 7992 1 12 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.540 0.232 25969 7993 1 12 . 1 1 113 113 ARG C C 113 176.930 176.930 174.797 2.133 25969 7994 1 12 . 1 1 113 113 ARG CA C 113 55.404 55.404 55.092 0.312 25969 7995 1 12 . 1 1 113 113 ARG CB C 113 33.431 33.431 32.290 1.141 25969 7996 1 12 . 1 1 113 113 ARG H H 113 9.352 9.352 7.676 1.676 25969 7997 1 12 . 1 1 114 114 GLY N N 114 109.477 109.477 113.990 -4.513 25969 7998 1 12 . 1 1 114 114 GLY C C 114 173.738 173.738 172.733 1.005 25969 7999 1 12 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.465 -1.014 25969 8000 1 12 . 1 1 114 114 GLY H H 114 8.467 8.467 8.604 -0.137 25969 8001 1 12 . 1 1 115 115 ASN N N 115 119.193 119.193 120.280 -1.087 25969 8002 1 12 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.964 -0.230 25969 8003 1 12 . 1 1 115 115 ASN C C 115 173.530 173.530 173.168 0.362 25969 8004 1 12 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.774 -0.041 25969 8005 1 12 . 1 1 115 115 ASN CB C 115 39.642 39.642 41.450 -1.808 25969 8006 1 12 . 1 1 115 115 ASN H H 115 8.523 8.523 8.479 0.044 25969 8007 1 12 . 1 1 116 116 ASP N N 116 120.602 120.602 121.247 -0.645 25969 8008 1 12 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.270 -0.187 25969 8009 1 12 . 1 1 116 116 ASP C C 116 174.030 174.030 174.499 -0.469 25969 8010 1 12 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.433 1.836 25969 8011 1 12 . 1 1 116 116 ASP CB C 116 43.983 43.983 43.639 0.344 25969 8012 1 12 . 1 1 116 116 ASP H H 116 8.098 8.098 8.399 -0.301 25969 8013 1 12 . 1 1 117 117 ALA N N 117 123.146 123.146 121.043 2.103 25969 8014 1 12 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.618 0.098 25969 8015 1 12 . 1 1 117 117 ALA C C 117 175.345 175.345 176.101 -0.756 25969 8016 1 12 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.339 0.123 25969 8017 1 12 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.430 1.716 25969 8018 1 12 . 1 1 117 117 ALA H H 117 8.979 8.979 8.398 0.581 25969 8019 1 12 . 1 1 118 118 GLU N N 118 115.917 115.917 116.249 -0.332 25969 8020 1 12 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.954 -0.059 25969 8021 1 12 . 1 1 118 118 GLU C C 118 177.181 177.181 174.801 2.380 25969 8022 1 12 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.109 -0.751 25969 8023 1 12 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.731 -0.979 25969 8024 1 12 . 1 1 118 118 GLU H H 118 8.829 8.829 8.801 0.028 25969 8025 1 12 . 1 1 119 119 CYS N N 119 119.476 119.476 116.905 2.571 25969 8026 1 12 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.368 0.102 25969 8027 1 12 . 1 1 119 119 CYS C C 119 174.738 174.738 174.574 0.164 25969 8028 1 12 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.121 -0.957 25969 8029 1 12 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.174 13.284 25969 8030 1 12 . 1 1 119 119 CYS H H 119 8.671 8.671 8.186 0.485 25969 8031 1 12 . 1 1 120 120 ARG N N 120 123.444 123.444 121.760 1.684 25969 8032 1 12 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.008 -0.083 25969 8033 1 12 . 1 1 120 120 ARG C C 120 172.028 172.028 173.161 -1.133 25969 8034 1 12 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.096 0.572 25969 8035 1 12 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.751 0.810 25969 8036 1 12 . 1 1 120 120 ARG H H 120 9.238 9.238 9.175 0.063 25969 8037 1 12 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.709 -0.163 25969 8038 1 12 . 1 1 121 121 PRO C C 121 176.138 176.138 175.432 0.706 25969 8039 1 12 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.131 0.889 25969 8040 1 12 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.965 0.197 25969 8041 1 12 . 1 1 122 122 PHE N N 122 124.392 124.392 125.345 -0.953 25969 8042 1 12 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.780 -0.074 25969 8043 1 12 . 1 1 122 122 PHE C C 122 175.032 175.032 174.287 0.745 25969 8044 1 12 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.341 1.067 25969 8045 1 12 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.732 -2.355 25969 8046 1 12 . 1 1 122 122 PHE H H 122 8.335 8.335 8.862 -0.527 25969 8047 1 12 . 1 1 123 123 THR N N 123 118.912 118.912 113.287 5.625 25969 8048 1 12 . 1 1 123 123 THR HA H 123 4.140 4.140 4.607 -0.467 25969 8049 1 12 . 1 1 123 123 THR C C 123 173.071 173.071 174.226 -1.155 25969 8050 1 12 . 1 1 123 123 THR CA C 123 60.948 60.948 59.718 1.230 25969 8051 1 12 . 1 1 123 123 THR CB C 123 69.430 69.430 69.792 -0.362 25969 8052 1 12 . 1 1 123 123 THR H H 123 8.146 8.146 7.905 0.241 25969 8053 1 13 . 1 1 7 7 ARG N N 7 122.494 122.494 124.759 -2.265 25969 8054 1 13 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.307 0.043 25969 8055 1 13 . 1 1 7 7 ARG C C 7 177.037 177.037 175.934 1.103 25969 8056 1 13 . 1 1 7 7 ARG CA C 7 56.724 56.724 56.375 0.349 25969 8057 1 13 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.001 -0.120 25969 8058 1 13 . 1 1 7 7 ARG H H 7 8.649 8.649 8.591 0.058 25969 8059 1 13 . 1 1 8 8 SER N N 8 117.535 117.535 115.288 2.247 25969 8060 1 13 . 1 1 8 8 SER HA H 8 4.384 4.384 4.177 0.207 25969 8061 1 13 . 1 1 8 8 SER C C 8 174.613 174.613 174.134 0.479 25969 8062 1 13 . 1 1 8 8 SER CA C 8 59.412 59.412 58.848 0.564 25969 8063 1 13 . 1 1 8 8 SER CB C 8 63.686 63.686 62.247 1.439 25969 8064 1 13 . 1 1 8 8 SER H H 8 8.522 8.522 8.271 0.251 25969 8065 1 13 . 1 1 9 9 ALA N N 9 126.336 126.336 125.791 0.545 25969 8066 1 13 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.475 -0.010 25969 8067 1 13 . 1 1 9 9 ALA C C 9 178.349 178.349 178.992 -0.643 25969 8068 1 13 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.809 0.258 25969 8069 1 13 . 1 1 9 9 ALA CB C 9 18.914 18.914 20.093 -1.179 25969 8070 1 13 . 1 1 9 9 ALA H H 9 8.415 8.415 8.159 0.256 25969 8071 1 13 . 1 1 10 10 ASN N N 10 121.438 121.438 118.672 2.766 25969 8072 1 13 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.784 -0.098 25969 8073 1 13 . 1 1 10 10 ASN C C 10 175.571 175.571 175.782 -0.211 25969 8074 1 13 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.477 -0.230 25969 8075 1 13 . 1 1 10 10 ASN CB C 10 39.125 39.125 36.748 2.377 25969 8076 1 13 . 1 1 10 10 ASN H H 10 9.263 9.263 9.350 -0.087 25969 8077 1 13 . 1 1 11 11 LEU N N 11 125.021 125.021 120.277 4.744 25969 8078 1 13 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.931 0.690 25969 8079 1 13 . 1 1 11 11 LEU C C 11 178.567 178.567 177.655 0.912 25969 8080 1 13 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.405 1.481 25969 8081 1 13 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.038 1.222 25969 8082 1 13 . 1 1 11 11 LEU H H 11 8.560 8.560 7.964 0.596 25969 8083 1 13 . 1 1 12 12 ARG N N 12 117.977 117.977 118.206 -0.229 25969 8084 1 13 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.185 -0.051 25969 8085 1 13 . 1 1 12 12 ARG C C 12 179.350 179.350 178.392 0.958 25969 8086 1 13 . 1 1 12 12 ARG CA C 12 60.347 60.347 57.790 2.557 25969 8087 1 13 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.753 0.938 25969 8088 1 13 . 1 1 12 12 ARG H H 12 8.114 8.114 8.157 -0.043 25969 8089 1 13 . 1 1 13 13 ALA N N 13 123.280 123.280 121.674 1.606 25969 8090 1 13 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.284 -0.071 25969 8091 1 13 . 1 1 13 13 ALA C C 13 180.957 180.957 179.306 1.651 25969 8092 1 13 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.409 -0.007 25969 8093 1 13 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.330 -0.461 25969 8094 1 13 . 1 1 13 13 ALA H H 13 7.871 7.871 7.938 -0.067 25969 8095 1 13 . 1 1 14 14 ALA N N 14 122.111 122.111 121.145 0.966 25969 8096 1 13 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.931 -0.226 25969 8097 1 13 . 1 1 14 14 ALA C C 14 178.578 178.578 178.741 -0.163 25969 8098 1 13 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.340 1.064 25969 8099 1 13 . 1 1 14 14 ALA CB C 14 17.260 17.260 18.021 -0.761 25969 8100 1 13 . 1 1 14 14 ALA H H 14 7.930 7.930 7.302 0.628 25969 8101 1 13 . 1 1 15 15 HIS N N 15 118.502 118.502 117.748 0.754 25969 8102 1 13 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.201 -0.425 25969 8103 1 13 . 1 1 15 15 HIS C C 15 176.304 176.304 176.907 -0.603 25969 8104 1 13 . 1 1 15 15 HIS CA C 15 60.031 60.031 59.950 0.080 25969 8105 1 13 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.610 1.760 25969 8106 1 13 . 1 1 15 15 HIS H H 15 8.422 8.422 8.757 -0.335 25969 8107 1 13 . 1 1 16 16 ALA N N 16 120.116 120.116 119.541 0.575 25969 8108 1 13 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.319 -0.465 25969 8109 1 13 . 1 1 16 16 ALA C C 16 180.644 180.644 178.697 1.947 25969 8110 1 13 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.767 1.704 25969 8111 1 13 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.805 -1.003 25969 8112 1 13 . 1 1 16 16 ALA H H 16 7.980 7.980 7.751 0.229 25969 8113 1 13 . 1 1 17 17 ALA N N 17 121.281 121.281 123.314 -2.033 25969 8114 1 13 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.050 0.126 25969 8115 1 13 . 1 1 17 17 ALA C C 17 180.122 180.122 179.071 1.051 25969 8116 1 13 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.839 -0.370 25969 8117 1 13 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.551 1.589 25969 8118 1 13 . 1 1 17 17 ALA H H 17 7.465 7.465 7.471 -0.006 25969 8119 1 13 . 1 1 18 18 LEU N N 18 120.262 120.262 118.258 2.004 25969 8120 1 13 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.043 -0.236 25969 8121 1 13 . 1 1 18 18 LEU C C 18 178.766 178.766 179.350 -0.584 25969 8122 1 13 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.327 1.417 25969 8123 1 13 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.837 0.874 25969 8124 1 13 . 1 1 18 18 LEU H H 18 8.468 8.468 8.498 -0.030 25969 8125 1 13 . 1 1 19 19 LEU N N 19 119.078 119.078 121.317 -2.239 25969 8126 1 13 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.159 -0.297 25969 8127 1 13 . 1 1 19 19 LEU C C 19 179.517 179.517 178.361 1.156 25969 8128 1 13 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.547 -0.538 25969 8129 1 13 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.071 0.374 25969 8130 1 13 . 1 1 19 19 LEU H H 19 8.029 8.029 7.566 0.463 25969 8131 1 13 . 1 1 20 20 GLU N N 20 121.499 121.499 119.573 1.926 25969 8132 1 13 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.007 0.020 25969 8133 1 13 . 1 1 20 20 GLU C C 20 180.289 180.289 179.230 1.059 25969 8134 1 13 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.542 0.337 25969 8135 1 13 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.416 -0.126 25969 8136 1 13 . 1 1 20 20 GLU H H 20 7.895 7.895 8.615 -0.720 25969 8137 1 13 . 1 1 21 21 ASN N N 21 119.066 119.066 117.723 1.343 25969 8138 1 13 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.700 -0.162 25969 8139 1 13 . 1 1 21 21 ASN C C 21 177.368 177.368 177.368 0.000 25969 8140 1 13 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.784 0.088 25969 8141 1 13 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.694 1.750 25969 8142 1 13 . 1 1 21 21 ASN H H 21 8.373 8.373 8.347 0.026 25969 8143 1 13 . 1 1 22 22 ALA N N 22 125.274 125.274 123.905 1.369 25969 8144 1 13 . 1 1 22 22 ALA HA H 22 3.773 3.773 3.983 -0.210 25969 8145 1 13 . 1 1 22 22 ALA C C 22 179.402 179.402 179.857 -0.455 25969 8146 1 13 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.259 0.212 25969 8147 1 13 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.553 -0.333 25969 8148 1 13 . 1 1 22 22 ALA H H 22 8.886 8.886 8.375 0.511 25969 8149 1 13 . 1 1 23 23 ARG N N 23 119.945 119.945 116.824 3.121 25969 8150 1 13 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.195 0.002 25969 8151 1 13 . 1 1 23 23 ARG C C 23 179.726 179.726 178.427 1.299 25969 8152 1 13 . 1 1 23 23 ARG CA C 23 59.812 59.812 58.872 0.940 25969 8153 1 13 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.789 -0.098 25969 8154 1 13 . 1 1 23 23 ARG H H 23 8.168 8.168 8.277 -0.109 25969 8155 1 13 . 1 1 24 24 PHE N N 24 121.222 121.222 120.476 0.746 25969 8156 1 13 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.364 0.003 25969 8157 1 13 . 1 1 24 24 PHE C C 24 177.410 177.410 177.884 -0.474 25969 8158 1 13 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.676 -0.328 25969 8159 1 13 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.073 -1.167 25969 8160 1 13 . 1 1 24 24 PHE H H 24 7.658 7.658 7.685 -0.027 25969 8161 1 13 . 1 1 25 25 MET N N 25 120.355 120.355 118.944 1.411 25969 8162 1 13 . 1 1 25 25 MET HA H 25 4.300 4.300 4.511 -0.211 25969 8163 1 13 . 1 1 25 25 MET C C 25 179.371 179.371 178.448 0.923 25969 8164 1 13 . 1 1 25 25 MET CA C 25 55.939 55.939 56.947 -1.008 25969 8165 1 13 . 1 1 25 25 MET CB C 25 29.424 29.424 31.152 -1.728 25969 8166 1 13 . 1 1 25 25 MET H H 25 8.358 8.358 9.038 -0.680 25969 8167 1 13 . 1 1 26 26 GLU N N 26 120.164 120.164 119.338 0.826 25969 8168 1 13 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.262 0.076 25969 8169 1 13 . 1 1 26 26 GLU C C 26 179.934 179.934 179.855 0.079 25969 8170 1 13 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.568 0.485 25969 8171 1 13 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.520 -0.037 25969 8172 1 13 . 1 1 26 26 GLU H H 26 8.441 8.441 8.573 -0.132 25969 8173 1 13 . 1 1 27 27 GLN N N 27 121.309 121.309 118.821 2.488 25969 8174 1 13 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.229 -0.097 25969 8175 1 13 . 1 1 27 27 GLN C C 27 178.307 178.307 178.186 0.121 25969 8176 1 13 . 1 1 27 27 GLN CA C 27 58.610 58.610 57.925 0.685 25969 8177 1 13 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.672 -0.584 25969 8178 1 13 . 1 1 27 27 GLN H H 27 8.001 8.001 8.238 -0.237 25969 8179 1 13 . 1 1 28 28 PHE N N 28 124.569 124.569 122.067 2.502 25969 8180 1 13 . 1 1 28 28 PHE HA H 28 3.814 3.814 3.989 -0.175 25969 8181 1 13 . 1 1 28 28 PHE C C 28 177.717 177.717 177.593 0.124 25969 8182 1 13 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.600 0.592 25969 8183 1 13 . 1 1 28 28 PHE CB C 28 39.343 39.343 38.980 0.363 25969 8184 1 13 . 1 1 28 28 PHE H H 28 8.760 8.760 8.334 0.426 25969 8185 1 13 . 1 1 29 29 TYR N N 29 121.726 121.726 119.403 2.323 25969 8186 1 13 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.131 -0.336 25969 8187 1 13 . 1 1 29 29 TYR C C 29 179.079 179.079 176.831 2.248 25969 8188 1 13 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.055 -0.107 25969 8189 1 13 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.635 0.072 25969 8190 1 13 . 1 1 29 29 TYR H H 29 8.956 8.956 8.312 0.644 25969 8191 1 13 . 1 1 30 30 ALA N N 30 121.142 121.142 120.243 0.899 25969 8192 1 13 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.111 -0.063 25969 8193 1 13 . 1 1 30 30 ALA C C 30 174.781 174.781 178.473 -3.692 25969 8194 1 13 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.210 0.660 25969 8195 1 13 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.284 -0.415 25969 8196 1 13 . 1 1 30 30 ALA H H 30 8.063 8.063 7.720 0.343 25969 8197 1 13 . 1 1 31 31 LYS N N 31 114.745 114.745 115.473 -0.728 25969 8198 1 13 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.208 -0.020 25969 8199 1 13 . 1 1 31 31 LYS C C 31 177.744 177.744 177.118 0.626 25969 8200 1 13 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.459 -0.051 25969 8201 1 13 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.374 -0.199 25969 8202 1 13 . 1 1 31 31 LYS H H 31 7.172 7.172 8.033 -0.861 25969 8203 1 13 . 1 1 32 32 LYS N N 32 117.388 117.388 117.277 0.111 25969 8204 1 13 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.236 -0.123 25969 8205 1 13 . 1 1 32 32 LYS C C 32 177.747 177.747 176.573 1.174 25969 8206 1 13 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.203 -0.398 25969 8207 1 13 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.525 -0.627 25969 8208 1 13 . 1 1 32 32 LYS H H 32 8.154 8.154 7.686 0.468 25969 8209 1 13 . 1 1 33 33 GLY N N 33 109.017 109.017 105.824 3.193 25969 8210 1 13 . 1 1 33 33 GLY C C 33 171.798 171.798 173.296 -1.498 25969 8211 1 13 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.672 -0.021 25969 8212 1 13 . 1 1 33 33 GLY H H 33 8.945 8.945 8.269 0.676 25969 8213 1 13 . 1 1 34 34 SER N N 34 110.165 110.165 114.108 -3.943 25969 8214 1 13 . 1 1 34 34 SER HA H 34 4.136 4.136 5.189 -1.053 25969 8215 1 13 . 1 1 34 34 SER C C 34 172.862 172.862 173.572 -0.710 25969 8216 1 13 . 1 1 34 34 SER CA C 34 56.673 56.673 57.735 -1.062 25969 8217 1 13 . 1 1 34 34 SER CB C 34 64.621 64.621 65.876 -1.255 25969 8218 1 13 . 1 1 34 34 SER H H 34 6.756 6.756 7.798 -1.042 25969 8219 1 13 . 1 1 35 35 PHE N N 35 121.132 121.132 121.722 -0.590 25969 8220 1 13 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.802 0.312 25969 8221 1 13 . 1 1 35 35 PHE C C 35 172.888 172.888 175.335 -2.447 25969 8222 1 13 . 1 1 35 35 PHE CA C 35 59.260 59.260 58.995 0.265 25969 8223 1 13 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.194 0.294 25969 8224 1 13 . 1 1 35 35 PHE H H 35 9.403 9.403 8.930 0.473 25969 8225 1 13 . 1 1 36 36 LYS N N 36 114.841 114.841 121.623 -6.782 25969 8226 1 13 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.347 0.037 25969 8227 1 13 . 1 1 36 36 LYS C C 36 177.118 177.118 177.211 -0.093 25969 8228 1 13 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.900 -0.628 25969 8229 1 13 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.296 -0.199 25969 8230 1 13 . 1 1 36 36 LYS H H 36 8.536 8.536 8.064 0.472 25969 8231 1 13 . 1 1 37 37 LEU N N 37 124.789 124.789 122.884 1.905 25969 8232 1 13 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.625 -0.175 25969 8233 1 13 . 1 1 37 37 LEU C C 37 177.535 177.535 177.551 -0.016 25969 8234 1 13 . 1 1 37 37 LEU CA C 37 57.742 57.742 56.589 1.153 25969 8235 1 13 . 1 1 37 37 LEU CB C 37 44.251 44.251 41.877 2.374 25969 8236 1 13 . 1 1 37 37 LEU H H 37 8.503 8.503 8.466 0.037 25969 8237 1 13 . 1 1 38 38 THR N N 38 108.556 108.556 113.084 -4.528 25969 8238 1 13 . 1 1 38 38 THR HA H 38 4.619 4.619 4.456 0.163 25969 8239 1 13 . 1 1 38 38 THR C C 38 173.947 173.947 173.132 0.815 25969 8240 1 13 . 1 1 38 38 THR CA C 38 58.944 58.944 60.264 -1.320 25969 8241 1 13 . 1 1 38 38 THR CB C 38 71.818 71.818 70.261 1.557 25969 8242 1 13 . 1 1 38 38 THR H H 38 8.189 8.189 7.600 0.589 25969 8243 1 13 . 1 1 39 39 SER N N 39 110.757 110.757 119.273 -8.516 25969 8244 1 13 . 1 1 39 39 SER HA H 39 4.057 4.057 4.333 -0.276 25969 8245 1 13 . 1 1 39 39 SER C C 39 174.904 174.904 174.976 -0.072 25969 8246 1 13 . 1 1 39 39 SER CA C 39 60.938 60.938 59.417 1.521 25969 8247 1 13 . 1 1 39 39 SER CB C 39 63.218 63.218 62.779 0.439 25969 8248 1 13 . 1 1 39 39 SER H H 39 8.590 8.590 8.421 0.169 25969 8249 1 13 . 1 1 40 40 THR N N 40 129.807 129.807 111.056 18.751 25969 8250 1 13 . 1 1 40 40 THR HA H 40 4.453 4.453 3.823 0.630 25969 8251 1 13 . 1 1 40 40 THR C C 40 174.928 174.928 173.135 1.793 25969 8252 1 13 . 1 1 40 40 THR CA C 40 60.351 60.351 62.412 -2.061 25969 8253 1 13 . 1 1 40 40 THR CB C 40 69.910 69.910 68.147 1.763 25969 8254 1 13 . 1 1 40 40 THR H H 40 7.570 7.570 8.415 -0.845 25969 8255 1 13 . 1 1 41 41 LYS N N 41 125.614 125.614 120.069 5.545 25969 8256 1 13 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.631 0.081 25969 8257 1 13 . 1 1 41 41 LYS C C 41 174.907 174.907 174.394 0.513 25969 8258 1 13 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.583 1.155 25969 8259 1 13 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.997 1.045 25969 8260 1 13 . 1 1 41 41 LYS H H 41 7.425 7.425 7.789 -0.364 25969 8261 1 13 . 1 1 42 42 TRP N N 42 124.827 124.827 123.179 1.648 25969 8262 1 13 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.119 -0.017 25969 8263 1 13 . 1 1 42 42 TRP C C 42 173.384 173.384 174.696 -1.312 25969 8264 1 13 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.904 1.498 25969 8265 1 13 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.708 0.183 25969 8266 1 13 . 1 1 42 42 TRP H H 42 8.590 8.590 8.693 -0.103 25969 8267 1 13 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.467 -0.020 25969 8268 1 13 . 1 1 43 43 PRO C C 43 174.990 174.990 176.181 -1.191 25969 8269 1 13 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.719 -0.168 25969 8270 1 13 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.367 -0.272 25969 8271 1 13 . 1 1 44 44 GLU N N 44 120.080 120.080 122.550 -2.470 25969 8272 1 13 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.139 -0.174 25969 8273 1 13 . 1 1 44 44 GLU C C 44 175.699 175.699 176.477 -0.778 25969 8274 1 13 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.529 -0.323 25969 8275 1 13 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.650 -1.068 25969 8276 1 13 . 1 1 44 44 GLU H H 44 8.134 8.134 8.465 -0.331 25969 8277 1 13 . 1 1 45 45 LEU N N 45 125.972 125.972 123.482 2.490 25969 8278 1 13 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.684 -0.721 25969 8279 1 13 . 1 1 45 45 LEU C C 45 176.242 176.242 175.222 1.020 25969 8280 1 13 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.455 -0.724 25969 8281 1 13 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.580 -0.268 25969 8282 1 13 . 1 1 45 45 LEU H H 45 8.363 8.363 8.146 0.217 25969 8283 1 13 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.164 0.010 25969 8284 1 13 . 1 1 46 46 PRO C C 46 177.702 177.702 176.015 1.687 25969 8285 1 13 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.655 0.165 25969 8286 1 13 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.950 -0.389 25969 8287 1 13 . 1 1 47 47 VAL N N 47 119.474 119.474 117.937 1.537 25969 8288 1 13 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.899 0.336 25969 8289 1 13 . 1 1 47 47 VAL C C 47 175.178 175.178 175.380 -0.202 25969 8290 1 13 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.573 -0.557 25969 8291 1 13 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.835 -0.687 25969 8292 1 13 . 1 1 47 47 VAL H H 47 7.836 7.836 7.999 -0.163 25969 8293 1 13 . 1 1 48 48 LYS N N 48 124.385 124.385 123.805 0.580 25969 8294 1 13 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.565 -0.256 25969 8295 1 13 . 1 1 48 48 LYS C C 48 176.534 176.534 175.443 1.091 25969 8296 1 13 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.247 0.894 25969 8297 1 13 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.518 0.314 25969 8298 1 13 . 1 1 48 48 LYS H H 48 8.638 8.638 8.355 0.283 25969 8299 1 13 . 1 1 49 49 GLU N N 49 118.262 118.262 118.311 -0.049 25969 8300 1 13 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.566 0.665 25969 8301 1 13 . 1 1 49 49 GLU C C 49 174.552 174.552 174.385 0.167 25969 8302 1 13 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.807 -0.536 25969 8303 1 13 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.664 1.633 25969 8304 1 13 . 1 1 49 49 GLU H H 49 7.473 7.473 7.732 -0.259 25969 8305 1 13 . 1 1 50 50 ALA N N 50 124.186 124.186 128.072 -3.886 25969 8306 1 13 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.585 -0.134 25969 8307 1 13 . 1 1 50 50 ALA C C 50 177.890 177.890 177.577 0.313 25969 8308 1 13 . 1 1 50 50 ALA CA C 50 53.133 53.133 51.400 1.733 25969 8309 1 13 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.293 3.321 25969 8310 1 13 . 1 1 50 50 ALA H H 50 8.902 8.902 8.917 -0.015 25969 8311 1 13 . 1 1 51 51 GLY N N 51 109.041 109.041 106.272 2.769 25969 8312 1 13 . 1 1 51 51 GLY C C 51 173.759 173.759 175.105 -1.346 25969 8313 1 13 . 1 1 51 51 GLY CA C 51 47.657 47.657 46.049 1.608 25969 8314 1 13 . 1 1 51 51 GLY H H 51 9.113 9.113 8.839 0.274 25969 8315 1 13 . 1 1 52 52 GLY N N 52 104.272 104.272 105.315 -1.043 25969 8316 1 13 . 1 1 52 52 GLY C C 52 174.156 174.156 173.016 1.140 25969 8317 1 13 . 1 1 52 52 GLY CA C 52 45.520 45.520 45.100 0.420 25969 8318 1 13 . 1 1 52 52 GLY H H 52 8.873 8.873 8.324 0.549 25969 8319 1 13 . 1 1 53 53 PHE N N 53 120.324 120.324 119.717 0.607 25969 8320 1 13 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.349 -0.192 25969 8321 1 13 . 1 1 53 53 PHE C C 53 175.574 175.574 174.199 1.375 25969 8322 1 13 . 1 1 53 53 PHE CA C 53 56.940 56.940 55.495 1.445 25969 8323 1 13 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.137 -1.758 25969 8324 1 13 . 1 1 53 53 PHE H H 53 8.278 8.278 7.600 0.678 25969 8325 1 13 . 1 1 54 54 CYS N N 54 116.465 116.465 120.758 -4.293 25969 8326 1 13 . 1 1 54 54 CYS HA H 54 5.660 5.660 4.988 0.672 25969 8327 1 13 . 1 1 54 54 CYS C C 54 173.092 173.092 173.482 -0.390 25969 8328 1 13 . 1 1 54 54 CYS CA C 54 54.997 54.997 57.990 -2.993 25969 8329 1 13 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.457 15.039 25969 8330 1 13 . 1 1 54 54 CYS H H 54 9.911 9.911 8.913 0.998 25969 8331 1 13 . 1 1 55 55 ILE N N 55 119.910 119.910 125.800 -5.890 25969 8332 1 13 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.261 0.050 25969 8333 1 13 . 1 1 55 55 ILE C C 55 175.366 175.366 175.450 -0.084 25969 8334 1 13 . 1 1 55 55 ILE CA C 55 60.480 60.480 59.819 0.661 25969 8335 1 13 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.304 -0.605 25969 8336 1 13 . 1 1 55 55 ILE H H 55 7.971 7.971 8.592 -0.621 25969 8337 1 13 . 1 1 56 56 ARG N N 56 122.445 122.445 120.832 1.613 25969 8338 1 13 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.715 -0.094 25969 8339 1 13 . 1 1 56 56 ARG C C 56 174.948 174.948 174.301 0.647 25969 8340 1 13 . 1 1 56 56 ARG CA C 56 53.467 53.467 53.970 -0.503 25969 8341 1 13 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.132 1.278 25969 8342 1 13 . 1 1 56 56 ARG H H 56 8.927 8.927 8.355 0.572 25969 8343 1 13 . 1 1 57 57 MET N N 57 119.875 119.875 120.374 -0.499 25969 8344 1 13 . 1 1 57 57 MET HA H 57 4.574 4.574 4.352 0.222 25969 8345 1 13 . 1 1 57 57 MET C C 57 175.845 175.845 176.027 -0.182 25969 8346 1 13 . 1 1 57 57 MET CA C 57 55.204 55.204 56.340 -1.136 25969 8347 1 13 . 1 1 57 57 MET CB C 57 32.162 32.162 33.872 -1.710 25969 8348 1 13 . 1 1 57 57 MET H H 57 9.022 9.022 8.718 0.304 25969 8349 1 13 . 1 1 58 58 SER N N 58 114.338 114.338 117.525 -3.187 25969 8350 1 13 . 1 1 58 58 SER HA H 58 5.138 5.138 4.328 0.810 25969 8351 1 13 . 1 1 58 58 SER C C 58 175.866 175.866 174.991 0.875 25969 8352 1 13 . 1 1 58 58 SER CA C 58 56.084 56.084 60.025 -3.941 25969 8353 1 13 . 1 1 58 58 SER CB C 58 63.977 63.977 64.028 -0.051 25969 8354 1 13 . 1 1 58 58 SER H H 58 8.559 8.559 8.485 0.074 25969 8355 1 13 . 1 1 59 59 GLY N N 59 116.880 116.880 108.146 8.734 25969 8356 1 13 . 1 1 59 59 GLY C C 59 172.257 172.257 173.847 -1.590 25969 8357 1 13 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.182 -1.480 25969 8358 1 13 . 1 1 59 59 GLY H H 59 8.919 8.919 8.339 0.580 25969 8359 1 13 . 1 1 60 60 GLN N N 60 121.745 121.745 119.099 2.646 25969 8360 1 13 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.463 -0.072 25969 8361 1 13 . 1 1 60 60 GLN C C 60 177.222 177.222 177.224 -0.002 25969 8362 1 13 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.169 -0.164 25969 8363 1 13 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.231 -0.389 25969 8364 1 13 . 1 1 60 60 GLN H H 60 8.575 8.575 8.432 0.143 25969 8365 1 13 . 1 1 61 61 ALA N N 61 128.305 128.305 126.052 2.253 25969 8366 1 13 . 1 1 61 61 ALA HA H 61 3.399 3.399 4.030 -0.631 25969 8367 1 13 . 1 1 61 61 ALA C C 61 178.704 178.704 179.486 -0.782 25969 8368 1 13 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.745 0.544 25969 8369 1 13 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.864 -1.933 25969 8370 1 13 . 1 1 61 61 ALA H H 61 8.576 8.576 8.242 0.334 25969 8371 1 13 . 1 1 62 62 LYS N N 62 114.337 114.337 118.309 -3.972 25969 8372 1 13 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.260 -0.084 25969 8373 1 13 . 1 1 62 62 LYS C C 62 177.327 177.327 177.183 0.144 25969 8374 1 13 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.698 0.378 25969 8375 1 13 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.563 -0.268 25969 8376 1 13 . 1 1 62 62 LYS H H 62 8.272 8.272 8.109 0.163 25969 8377 1 13 . 1 1 63 63 GLY N N 63 107.059 107.059 107.521 -0.462 25969 8378 1 13 . 1 1 63 63 GLY C C 63 173.759 173.759 172.959 0.800 25969 8379 1 13 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.282 0.503 25969 8380 1 13 . 1 1 63 63 GLY H H 63 7.813 7.813 8.206 -0.393 25969 8381 1 13 . 1 1 64 64 ILE N N 64 122.496 122.496 121.542 0.954 25969 8382 1 13 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.444 0.012 25969 8383 1 13 . 1 1 64 64 ILE C C 64 176.033 176.033 176.063 -0.030 25969 8384 1 13 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.536 1.007 25969 8385 1 13 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.423 -2.451 25969 8386 1 13 . 1 1 64 64 ILE H H 64 7.256 7.256 7.238 0.018 25969 8387 1 13 . 1 1 65 65 LEU N N 65 128.858 128.858 121.834 7.024 25969 8388 1 13 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.132 0.121 25969 8389 1 13 . 1 1 65 65 LEU C C 65 178.203 178.203 176.052 2.151 25969 8390 1 13 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.202 -0.664 25969 8391 1 13 . 1 1 65 65 LEU CB C 65 42.536 42.536 42.175 0.361 25969 8392 1 13 . 1 1 65 65 LEU H H 65 8.417 8.417 8.460 -0.043 25969 8393 1 13 . 1 1 66 66 GLU N N 66 119.109 119.109 122.756 -3.647 25969 8394 1 13 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.507 -0.266 25969 8395 1 13 . 1 1 66 66 GLU C C 66 177.436 177.436 176.267 1.169 25969 8396 1 13 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.142 1.116 25969 8397 1 13 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.649 -2.550 25969 8398 1 13 . 1 1 66 66 GLU H H 66 8.590 8.590 8.489 0.101 25969 8399 1 13 . 1 1 67 67 GLY N N 67 108.490 108.490 110.726 -2.236 25969 8400 1 13 . 1 1 67 67 GLY C C 67 173.551 173.551 172.982 0.569 25969 8401 1 13 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.513 0.608 25969 8402 1 13 . 1 1 67 67 GLY H H 67 9.498 9.498 8.499 0.999 25969 8403 1 13 . 1 1 68 68 LYS N N 68 117.773 117.773 119.409 -1.636 25969 8404 1 13 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.666 0.130 25969 8405 1 13 . 1 1 68 68 LYS C C 68 175.637 175.637 174.508 1.129 25969 8406 1 13 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.525 -0.256 25969 8407 1 13 . 1 1 68 68 LYS CB C 68 35.702 35.702 35.206 0.496 25969 8408 1 13 . 1 1 68 68 LYS H H 68 7.604 7.604 7.548 0.056 25969 8409 1 13 . 1 1 69 69 PHE N N 69 114.518 114.518 122.675 -8.157 25969 8410 1 13 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.581 -0.109 25969 8411 1 13 . 1 1 69 69 PHE C C 69 172.591 172.591 174.408 -1.817 25969 8412 1 13 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.679 3.399 25969 8413 1 13 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.948 0.429 25969 8414 1 13 . 1 1 69 69 PHE H H 69 8.439 8.439 8.577 -0.138 25969 8415 1 13 . 1 1 70 70 THR N N 70 115.260 115.260 117.759 -2.499 25969 8416 1 13 . 1 1 70 70 THR HA H 70 4.602 4.602 4.775 -0.173 25969 8417 1 13 . 1 1 70 70 THR C C 70 172.508 172.508 172.585 -0.077 25969 8418 1 13 . 1 1 70 70 THR CA C 70 62.484 62.484 61.312 1.172 25969 8419 1 13 . 1 1 70 70 THR CB C 70 71.367 71.367 71.862 -0.495 25969 8420 1 13 . 1 1 70 70 THR H H 70 8.474 8.474 8.360 0.114 25969 8421 1 13 . 1 1 71 71 LEU N N 71 128.144 128.144 122.565 5.579 25969 8422 1 13 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.643 -0.135 25969 8423 1 13 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.310 0.625 25969 8424 1 13 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.861 0.994 25969 8425 1 13 . 1 1 71 71 LEU H H 71 9.284 9.284 8.062 1.222 25969 8426 1 13 . 1 1 72 72 LYS N N 72 122.603 122.603 120.995 1.608 25969 8427 1 13 . 1 1 72 72 LYS HA H 72 5.388 5.388 4.999 0.389 25969 8428 1 13 . 1 1 72 72 LYS C C 72 171.972 171.972 174.382 -2.410 25969 8429 1 13 . 1 1 72 72 LYS CA C 72 54.402 54.402 53.866 0.536 25969 8430 1 13 . 1 1 72 72 LYS CB C 72 38.592 38.592 36.003 2.589 25969 8431 1 13 . 1 1 72 72 LYS H H 72 9.123 9.123 7.785 1.338 25969 8432 1 13 . 1 1 73 73 ALA N N 73 128.927 128.927 127.801 1.126 25969 8433 1 13 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.459 0.392 25969 8434 1 13 . 1 1 73 73 ALA C C 73 175.324 175.324 175.468 -0.144 25969 8435 1 13 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.773 -0.647 25969 8436 1 13 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.534 -1.058 25969 8437 1 13 . 1 1 73 73 ALA H H 73 9.178 9.178 8.940 0.238 25969 8438 1 13 . 1 1 74 74 VAL N N 74 123.425 123.425 120.916 2.509 25969 8439 1 13 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.042 0.097 25969 8440 1 13 . 1 1 74 74 VAL C C 74 173.425 173.425 174.660 -1.235 25969 8441 1 13 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.508 0.342 25969 8442 1 13 . 1 1 74 74 VAL CB C 74 35.768 35.768 35.956 -0.188 25969 8443 1 13 . 1 1 74 74 VAL H H 74 8.727 8.727 8.809 -0.082 25969 8444 1 13 . 1 1 75 75 ALA N N 75 130.762 130.762 128.976 1.786 25969 8445 1 13 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.410 0.248 25969 8446 1 13 . 1 1 75 75 ALA C C 75 177.327 177.327 178.676 -1.349 25969 8447 1 13 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.052 1.148 25969 8448 1 13 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.430 1.176 25969 8449 1 13 . 1 1 75 75 ALA H H 75 9.164 9.164 7.482 1.682 25969 8450 1 13 . 1 1 76 76 LEU N N 76 119.175 119.175 124.517 -5.342 25969 8451 1 13 . 1 1 76 76 LEU HA H 76 3.794 3.794 3.983 -0.189 25969 8452 1 13 . 1 1 76 76 LEU C C 76 178.036 178.036 178.004 0.032 25969 8453 1 13 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.410 0.866 25969 8454 1 13 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.033 -0.187 25969 8455 1 13 . 1 1 76 76 LEU H H 76 8.269 8.269 8.618 -0.349 25969 8456 1 13 . 1 1 77 77 ASP N N 77 115.777 115.777 114.845 0.932 25969 8457 1 13 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.785 0.011 25969 8458 1 13 . 1 1 77 77 ASP C C 77 176.012 176.012 176.905 -0.893 25969 8459 1 13 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.879 -2.148 25969 8460 1 13 . 1 1 77 77 ASP CB C 77 40.176 40.176 39.816 0.360 25969 8461 1 13 . 1 1 77 77 ASP H H 77 7.715 7.715 8.118 -0.403 25969 8462 1 13 . 1 1 78 78 ARG N N 78 122.846 122.846 119.183 3.663 25969 8463 1 13 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.088 -0.005 25969 8464 1 13 . 1 1 78 78 ARG C C 78 177.869 177.869 176.875 0.994 25969 8465 1 13 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.537 -1.129 25969 8466 1 13 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.260 0.364 25969 8467 1 13 . 1 1 78 78 ARG H H 78 8.408 8.408 7.613 0.795 25969 8468 1 13 . 1 1 79 79 GLU N N 79 118.091 118.091 118.976 -0.885 25969 8469 1 13 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.048 -0.029 25969 8470 1 13 . 1 1 79 79 GLU C C 79 177.930 177.930 177.101 0.829 25969 8471 1 13 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.352 -0.028 25969 8472 1 13 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.257 -0.123 25969 8473 1 13 . 1 1 79 79 GLU H H 79 7.888 7.888 8.257 -0.369 25969 8474 1 13 . 1 1 80 80 ALA N N 80 120.528 120.528 119.093 1.435 25969 8475 1 13 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.430 -0.328 25969 8476 1 13 . 1 1 80 80 ALA C C 80 178.142 178.142 176.071 2.071 25969 8477 1 13 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.739 0.328 25969 8478 1 13 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.696 -1.424 25969 8479 1 13 . 1 1 80 80 ALA H H 80 7.175 7.175 8.141 -0.966 25969 8480 1 13 . 1 1 81 81 GLU N N 81 115.377 115.377 117.736 -2.359 25969 8481 1 13 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.745 0.017 25969 8482 1 13 . 1 1 81 81 GLU C C 81 171.047 171.047 174.751 -3.704 25969 8483 1 13 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.530 -0.332 25969 8484 1 13 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.517 1.176 25969 8485 1 13 . 1 1 81 81 GLU H H 81 7.457 7.457 7.441 0.016 25969 8486 1 13 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.219 0.478 25969 8487 1 13 . 1 1 82 82 PRO C C 82 177.636 177.636 176.519 1.117 25969 8488 1 13 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.839 -1.248 25969 8489 1 13 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.932 0.900 25969 8490 1 13 . 1 1 83 83 ARG N N 83 118.488 118.488 118.118 0.370 25969 8491 1 13 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.333 0.241 25969 8492 1 13 . 1 1 83 83 ARG C C 83 176.870 176.870 175.861 1.009 25969 8493 1 13 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.045 -0.002 25969 8494 1 13 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.747 0.429 25969 8495 1 13 . 1 1 83 83 ARG H H 83 8.554 8.554 7.760 0.794 25969 8496 1 13 . 1 1 84 84 VAL N N 84 111.376 111.376 119.648 -8.272 25969 8497 1 13 . 1 1 84 84 VAL HA H 84 5.027 5.027 4.966 0.061 25969 8498 1 13 . 1 1 84 84 VAL C C 84 174.302 174.302 174.701 -0.399 25969 8499 1 13 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.407 -0.865 25969 8500 1 13 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.364 0.326 25969 8501 1 13 . 1 1 84 84 VAL H H 84 8.304 8.304 8.351 -0.047 25969 8502 1 13 . 1 1 85 85 LEU N N 85 122.000 122.000 121.777 0.223 25969 8503 1 13 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.195 0.133 25969 8504 1 13 . 1 1 85 85 LEU C C 85 175.491 175.491 174.258 1.233 25969 8505 1 13 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.527 -0.661 25969 8506 1 13 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.854 0.268 25969 8507 1 13 . 1 1 85 85 LEU H H 85 8.095 8.095 8.671 -0.576 25969 8508 1 13 . 1 1 86 86 ARG N N 86 119.409 119.409 121.412 -2.003 25969 8509 1 13 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.330 0.140 25969 8510 1 13 . 1 1 86 86 ARG C C 86 174.928 174.928 173.353 1.575 25969 8511 1 13 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.837 -0.635 25969 8512 1 13 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.272 1.363 25969 8513 1 13 . 1 1 86 86 ARG H H 86 8.851 8.851 8.198 0.653 25969 8514 1 13 . 1 1 87 87 LEU N N 87 122.550 122.550 123.887 -1.337 25969 8515 1 13 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.020 0.054 25969 8516 1 13 . 1 1 87 87 LEU C C 87 174.406 174.406 174.316 0.090 25969 8517 1 13 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.943 1.062 25969 8518 1 13 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.239 1.885 25969 8519 1 13 . 1 1 87 87 LEU H H 87 8.798 8.798 8.078 0.720 25969 8520 1 13 . 1 1 88 88 ASN N N 88 125.347 125.347 123.369 1.978 25969 8521 1 13 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.606 -0.183 25969 8522 1 13 . 1 1 88 88 ASN C C 88 176.576 176.576 176.511 0.065 25969 8523 1 13 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.681 -0.818 25969 8524 1 13 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.956 -0.379 25969 8525 1 13 . 1 1 88 88 ASN H H 88 7.376 7.376 8.102 -0.726 25969 8526 1 13 . 1 1 89 89 GLU N N 89 114.953 114.953 118.889 -3.936 25969 8527 1 13 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.250 -0.854 25969 8528 1 13 . 1 1 89 89 GLU C C 89 176.684 176.684 176.905 -0.221 25969 8529 1 13 . 1 1 89 89 GLU CA C 89 58.540 58.540 59.057 -0.517 25969 8530 1 13 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.813 -0.943 25969 8531 1 13 . 1 1 89 89 GLU H H 89 7.586 7.586 8.453 -0.867 25969 8532 1 13 . 1 1 90 90 SER N N 90 117.110 117.110 113.768 3.342 25969 8533 1 13 . 1 1 90 90 SER HA H 90 4.442 4.442 4.352 0.090 25969 8534 1 13 . 1 1 90 90 SER C C 90 174.051 174.051 175.197 -1.146 25969 8535 1 13 . 1 1 90 90 SER CA C 90 58.895 58.895 58.007 0.888 25969 8536 1 13 . 1 1 90 90 SER CB C 90 63.886 63.886 63.370 0.516 25969 8537 1 13 . 1 1 90 90 SER H H 90 7.385 7.385 8.055 -0.670 25969 8538 1 13 . 1 1 91 91 LEU N N 91 116.559 116.559 118.731 -2.172 25969 8539 1 13 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.005 -0.308 25969 8540 1 13 . 1 1 91 91 LEU C C 91 175.825 175.825 175.419 0.406 25969 8541 1 13 . 1 1 91 91 LEU CA C 91 56.042 56.042 55.904 0.138 25969 8542 1 13 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.300 -1.595 25969 8543 1 13 . 1 1 91 91 LEU H H 91 8.704 8.704 7.625 1.079 25969 8544 1 13 . 1 1 92 92 THR N N 92 115.529 115.529 114.418 1.111 25969 8545 1 13 . 1 1 92 92 THR HA H 92 4.254 4.254 4.394 -0.140 25969 8546 1 13 . 1 1 92 92 THR C C 92 173.425 173.425 173.233 0.192 25969 8547 1 13 . 1 1 92 92 THR CA C 92 62.617 62.617 63.174 -0.557 25969 8548 1 13 . 1 1 92 92 THR CB C 92 69.096 69.096 69.421 -0.325 25969 8549 1 13 . 1 1 92 92 THR H H 92 7.704 7.704 7.607 0.097 25969 8550 1 13 . 1 1 93 93 ALA N N 93 130.459 130.459 131.064 -0.605 25969 8551 1 13 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.384 0.303 25969 8552 1 13 . 1 1 93 93 ALA C C 93 177.201 177.201 175.374 1.827 25969 8553 1 13 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.565 0.697 25969 8554 1 13 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.158 -0.348 25969 8555 1 13 . 1 1 93 93 ALA H H 93 9.002 9.002 8.468 0.534 25969 8556 1 13 . 1 1 94 94 VAL N N 94 117.872 117.872 120.664 -2.792 25969 8557 1 13 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.859 0.045 25969 8558 1 13 . 1 1 94 94 VAL C C 94 173.613 173.613 173.724 -0.111 25969 8559 1 13 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.442 -0.763 25969 8560 1 13 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.356 -0.320 25969 8561 1 13 . 1 1 94 94 VAL H H 94 8.833 8.833 8.190 0.643 25969 8562 1 13 . 1 1 95 95 VAL N N 95 121.842 121.842 128.503 -6.661 25969 8563 1 13 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.791 0.462 25969 8564 1 13 . 1 1 95 95 VAL C C 95 174.552 174.552 173.828 0.724 25969 8565 1 13 . 1 1 95 95 VAL CA C 95 57.942 57.942 59.254 -1.312 25969 8566 1 13 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.613 0.287 25969 8567 1 13 . 1 1 95 95 VAL H H 95 9.286 9.286 8.742 0.544 25969 8568 1 13 . 1 1 96 96 CYS N N 96 126.839 126.839 124.399 2.440 25969 8569 1 13 . 1 1 96 96 CYS HA H 96 5.423 5.423 5.069 0.354 25969 8570 1 13 . 1 1 96 96 CYS C C 96 174.135 174.135 175.641 -1.506 25969 8571 1 13 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.898 -3.628 25969 8572 1 13 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.789 15.666 25969 8573 1 13 . 1 1 96 96 CYS H H 96 9.452 9.452 8.931 0.521 25969 8574 1 13 . 1 1 97 97 GLY N N 97 109.718 109.718 108.658 1.060 25969 8575 1 13 . 1 1 97 97 GLY C C 97 172.639 172.639 173.281 -0.642 25969 8576 1 13 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.545 0.843 25969 8577 1 13 . 1 1 97 97 GLY H H 97 8.355 8.355 8.408 -0.053 25969 8578 1 13 . 1 1 98 98 LYS N N 98 114.844 114.844 120.323 -5.479 25969 8579 1 13 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.556 0.188 25969 8580 1 13 . 1 1 98 98 LYS C C 98 174.051 174.051 174.454 -0.403 25969 8581 1 13 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.430 -1.094 25969 8582 1 13 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.748 -0.220 25969 8583 1 13 . 1 1 98 98 LYS H H 98 7.632 7.632 7.837 -0.205 25969 8584 1 13 . 1 1 99 99 MET N N 99 124.801 124.801 127.406 -2.605 25969 8585 1 13 . 1 1 99 99 MET HA H 99 5.017 5.017 4.714 0.303 25969 8586 1 13 . 1 1 99 99 MET C C 99 176.337 176.337 174.850 1.487 25969 8587 1 13 . 1 1 99 99 MET CA C 99 54.803 54.803 54.966 -0.163 25969 8588 1 13 . 1 1 99 99 MET CB C 99 34.646 34.646 33.988 0.658 25969 8589 1 13 . 1 1 99 99 MET H H 99 8.759 8.759 8.738 0.021 25969 8590 1 13 . 1 1 100 100 LYS N N 100 126.252 126.252 125.433 0.819 25969 8591 1 13 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.327 0.049 25969 8592 1 13 . 1 1 100 100 LYS C C 100 177.222 177.222 177.136 0.086 25969 8593 1 13 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.598 -1.143 25969 8594 1 13 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.132 -0.703 25969 8595 1 13 . 1 1 100 100 LYS H H 100 8.602 8.602 8.259 0.343 25969 8596 1 13 . 1 1 101 101 GLY N N 101 108.944 108.944 106.651 2.293 25969 8597 1 13 . 1 1 101 101 GLY C C 101 173.613 173.613 174.278 -0.665 25969 8598 1 13 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.588 -0.003 25969 8599 1 13 . 1 1 101 101 GLY H H 101 8.385 8.385 7.610 0.775 25969 8600 1 13 . 1 1 102 102 LYS N N 102 118.594 118.594 119.374 -0.780 25969 8601 1 13 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.066 0.348 25969 8602 1 13 . 1 1 102 102 LYS C C 102 176.867 176.867 176.026 0.841 25969 8603 1 13 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.607 -1.735 25969 8604 1 13 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.401 1.622 25969 8605 1 13 . 1 1 102 102 LYS H H 102 8.436 8.436 8.388 0.048 25969 8606 1 13 . 1 1 103 103 GLY N N 103 110.581 110.581 108.926 1.655 25969 8607 1 13 . 1 1 103 103 GLY C C 103 171.631 171.631 172.385 -0.754 25969 8608 1 13 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.320 1.600 25969 8609 1 13 . 1 1 103 103 GLY H H 103 8.443 8.443 8.163 0.280 25969 8610 1 13 . 1 1 104 104 SER N N 104 113.710 113.710 115.146 -1.436 25969 8611 1 13 . 1 1 104 104 SER HA H 104 4.697 4.697 4.809 -0.112 25969 8612 1 13 . 1 1 104 104 SER C C 104 174.680 174.680 173.910 0.770 25969 8613 1 13 . 1 1 104 104 SER CA C 104 57.331 57.331 56.310 1.021 25969 8614 1 13 . 1 1 104 104 SER CB C 104 66.178 66.178 65.867 0.311 25969 8615 1 13 . 1 1 104 104 SER H H 104 8.535 8.535 7.813 0.722 25969 8616 1 13 . 1 1 105 105 CYS N N 105 118.835 118.835 121.691 -2.856 25969 8617 1 13 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.380 0.232 25969 8618 1 13 . 1 1 105 105 CYS C C 105 176.502 176.502 175.744 0.758 25969 8619 1 13 . 1 1 105 105 CYS CA C 105 57.136 57.136 61.055 -3.919 25969 8620 1 13 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.222 13.190 25969 8621 1 13 . 1 1 105 105 CYS H H 105 10.009 10.009 8.979 1.030 25969 8622 1 13 . 1 1 106 106 THR N N 106 107.957 107.957 114.176 -6.219 25969 8623 1 13 . 1 1 106 106 THR HA H 106 4.574 4.574 3.917 0.657 25969 8624 1 13 . 1 1 106 106 THR C C 106 175.178 175.178 173.748 1.430 25969 8625 1 13 . 1 1 106 106 THR CA C 106 61.014 61.014 64.179 -3.165 25969 8626 1 13 . 1 1 106 106 THR CB C 106 68.495 68.495 68.099 0.396 25969 8627 1 13 . 1 1 106 106 THR H H 106 8.030 8.030 8.829 -0.799 25969 8628 1 13 . 1 1 107 107 ASP N N 107 120.763 120.763 117.772 2.991 25969 8629 1 13 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.657 -0.337 25969 8630 1 13 . 1 1 107 107 ASP C C 107 177.264 177.264 175.553 1.711 25969 8631 1 13 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.398 0.606 25969 8632 1 13 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.241 -2.397 25969 8633 1 13 . 1 1 107 107 ASP H H 107 7.531 7.531 7.588 -0.057 25969 8634 1 13 . 1 1 108 108 GLY N N 108 108.602 108.602 109.852 -1.250 25969 8635 1 13 . 1 1 108 108 GLY C C 108 174.698 174.698 173.281 1.417 25969 8636 1 13 . 1 1 108 108 GLY CA C 108 45.653 45.653 44.939 0.714 25969 8637 1 13 . 1 1 108 108 GLY H H 108 8.591 8.591 8.026 0.565 25969 8638 1 13 . 1 1 109 109 GLU N N 109 120.191 120.191 118.343 1.848 25969 8639 1 13 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.262 0.190 25969 8640 1 13 . 1 1 109 109 GLU C C 109 176.472 176.472 175.078 1.394 25969 8641 1 13 . 1 1 109 109 GLU CA C 109 55.678 55.678 55.949 -0.271 25969 8642 1 13 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.113 0.771 25969 8643 1 13 . 1 1 109 109 GLU H H 109 8.292 8.292 7.936 0.356 25969 8644 1 13 . 1 1 110 110 GLU N N 110 116.857 116.857 121.437 -4.580 25969 8645 1 13 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.253 -0.037 25969 8646 1 13 . 1 1 110 110 GLU C C 110 176.381 176.381 174.341 2.040 25969 8647 1 13 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.550 0.586 25969 8648 1 13 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.679 -0.406 25969 8649 1 13 . 1 1 110 110 GLU H H 110 9.028 9.028 8.637 0.391 25969 8650 1 13 . 1 1 111 111 ILE N N 111 109.164 109.164 111.017 -1.853 25969 8651 1 13 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.793 0.042 25969 8652 1 13 . 1 1 111 111 ILE C C 111 176.868 176.868 174.546 2.322 25969 8653 1 13 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.209 -0.067 25969 8654 1 13 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.304 1.811 25969 8655 1 13 . 1 1 111 111 ILE H H 111 7.022 7.022 7.369 -0.347 25969 8656 1 13 . 1 1 112 112 PHE N N 112 118.509 118.509 123.092 -4.583 25969 8657 1 13 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.855 0.257 25969 8658 1 13 . 1 1 112 112 PHE C C 112 174.171 174.171 173.625 0.546 25969 8659 1 13 . 1 1 112 112 PHE CA C 112 57.791 57.791 56.280 1.511 25969 8660 1 13 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.567 3.292 25969 8661 1 13 . 1 1 112 112 PHE H H 112 8.605 8.605 8.065 0.540 25969 8662 1 13 . 1 1 113 113 ARG N N 113 119.908 119.908 122.569 -2.661 25969 8663 1 13 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.459 0.313 25969 8664 1 13 . 1 1 113 113 ARG C C 113 176.930 176.930 174.455 2.475 25969 8665 1 13 . 1 1 113 113 ARG CA C 113 55.404 55.404 54.911 0.493 25969 8666 1 13 . 1 1 113 113 ARG CB C 113 33.431 33.431 33.264 0.167 25969 8667 1 13 . 1 1 113 113 ARG H H 113 9.352 9.352 7.451 1.901 25969 8668 1 13 . 1 1 114 114 GLY N N 114 109.477 109.477 111.798 -2.321 25969 8669 1 13 . 1 1 114 114 GLY C C 114 173.738 173.738 172.707 1.031 25969 8670 1 13 . 1 1 114 114 GLY CA C 114 44.451 44.451 44.760 -0.309 25969 8671 1 13 . 1 1 114 114 GLY H H 114 8.467 8.467 8.525 -0.058 25969 8672 1 13 . 1 1 115 115 ASN N N 115 119.193 119.193 122.003 -2.810 25969 8673 1 13 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.934 -0.200 25969 8674 1 13 . 1 1 115 115 ASN C C 115 173.530 173.530 173.020 0.510 25969 8675 1 13 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.794 -0.061 25969 8676 1 13 . 1 1 115 115 ASN CB C 115 39.642 39.642 42.101 -2.459 25969 8677 1 13 . 1 1 115 115 ASN H H 115 8.523 8.523 8.509 0.014 25969 8678 1 13 . 1 1 116 116 ASP N N 116 120.602 120.602 120.714 -0.112 25969 8679 1 13 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.239 -0.156 25969 8680 1 13 . 1 1 116 116 ASP C C 116 174.030 174.030 174.525 -0.495 25969 8681 1 13 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.759 1.510 25969 8682 1 13 . 1 1 116 116 ASP CB C 116 43.983 43.983 43.888 0.095 25969 8683 1 13 . 1 1 116 116 ASP H H 116 8.098 8.098 8.373 -0.275 25969 8684 1 13 . 1 1 117 117 ALA N N 117 123.146 123.146 122.337 0.809 25969 8685 1 13 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.586 0.130 25969 8686 1 13 . 1 1 117 117 ALA C C 117 175.345 175.345 176.448 -1.103 25969 8687 1 13 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.349 0.113 25969 8688 1 13 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.146 1.999 25969 8689 1 13 . 1 1 117 117 ALA H H 117 8.979 8.979 8.486 0.493 25969 8690 1 13 . 1 1 118 118 GLU N N 118 115.917 115.917 115.845 0.072 25969 8691 1 13 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.997 -0.102 25969 8692 1 13 . 1 1 118 118 GLU C C 118 177.181 177.181 174.785 2.396 25969 8693 1 13 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.416 -1.058 25969 8694 1 13 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.285 -0.532 25969 8695 1 13 . 1 1 118 118 GLU H H 118 8.829 8.829 8.763 0.066 25969 8696 1 13 . 1 1 119 119 CYS N N 119 119.476 119.476 116.611 2.865 25969 8697 1 13 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.422 0.048 25969 8698 1 13 . 1 1 119 119 CYS C C 119 174.738 174.738 174.624 0.114 25969 8699 1 13 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.174 -1.010 25969 8700 1 13 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.419 13.039 25969 8701 1 13 . 1 1 119 119 CYS H H 119 8.671 8.671 8.155 0.516 25969 8702 1 13 . 1 1 120 120 ARG N N 120 123.444 123.444 121.900 1.544 25969 8703 1 13 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.018 -0.092 25969 8704 1 13 . 1 1 120 120 ARG C C 120 172.028 172.028 173.192 -1.164 25969 8705 1 13 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.083 0.585 25969 8706 1 13 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.702 0.859 25969 8707 1 13 . 1 1 120 120 ARG H H 120 9.238 9.238 9.216 0.022 25969 8708 1 13 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.706 -0.160 25969 8709 1 13 . 1 1 121 121 PRO C C 121 176.138 176.138 175.482 0.656 25969 8710 1 13 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.160 0.860 25969 8711 1 13 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.976 0.186 25969 8712 1 13 . 1 1 122 122 PHE N N 122 124.392 124.392 125.666 -1.274 25969 8713 1 13 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.783 -0.077 25969 8714 1 13 . 1 1 122 122 PHE C C 122 175.032 175.032 174.260 0.772 25969 8715 1 13 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.154 1.254 25969 8716 1 13 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.786 -2.409 25969 8717 1 13 . 1 1 122 122 PHE H H 122 8.335 8.335 8.892 -0.557 25969 8718 1 13 . 1 1 123 123 THR N N 123 118.912 118.912 114.294 4.618 25969 8719 1 13 . 1 1 123 123 THR HA H 123 4.140 4.140 4.568 -0.428 25969 8720 1 13 . 1 1 123 123 THR C C 123 173.071 173.071 173.832 -0.761 25969 8721 1 13 . 1 1 123 123 THR CA C 123 60.948 60.948 60.117 0.831 25969 8722 1 13 . 1 1 123 123 THR CB C 123 69.430 69.430 69.634 -0.204 25969 8723 1 13 . 1 1 123 123 THR H H 123 8.146 8.146 7.913 0.233 25969 8724 1 14 . 1 1 7 7 ARG N N 7 122.494 122.494 122.631 -0.137 25969 8725 1 14 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.421 -0.071 25969 8726 1 14 . 1 1 7 7 ARG C C 7 177.037 177.037 175.566 1.471 25969 8727 1 14 . 1 1 7 7 ARG CA C 7 56.724 56.724 56.636 0.088 25969 8728 1 14 . 1 1 7 7 ARG CB C 7 30.881 30.881 30.953 -0.072 25969 8729 1 14 . 1 1 7 7 ARG H H 7 8.649 8.649 7.933 0.716 25969 8730 1 14 . 1 1 8 8 SER N N 8 117.535 117.535 114.394 3.141 25969 8731 1 14 . 1 1 8 8 SER HA H 8 4.384 4.384 4.158 0.226 25969 8732 1 14 . 1 1 8 8 SER C C 8 174.613 174.613 173.951 0.662 25969 8733 1 14 . 1 1 8 8 SER CA C 8 59.412 59.412 58.056 1.356 25969 8734 1 14 . 1 1 8 8 SER CB C 8 63.686 63.686 62.059 1.627 25969 8735 1 14 . 1 1 8 8 SER H H 8 8.522 8.522 8.067 0.455 25969 8736 1 14 . 1 1 9 9 ALA N N 9 126.336 126.336 125.562 0.774 25969 8737 1 14 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.476 -0.011 25969 8738 1 14 . 1 1 9 9 ALA C C 9 178.349 178.349 179.076 -0.727 25969 8739 1 14 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.556 0.511 25969 8740 1 14 . 1 1 9 9 ALA CB C 9 18.914 18.914 20.022 -1.108 25969 8741 1 14 . 1 1 9 9 ALA H H 9 8.415 8.415 8.143 0.272 25969 8742 1 14 . 1 1 10 10 ASN N N 10 121.438 121.438 118.799 2.639 25969 8743 1 14 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.776 -0.090 25969 8744 1 14 . 1 1 10 10 ASN C C 10 175.571 175.571 175.309 0.262 25969 8745 1 14 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.282 -0.035 25969 8746 1 14 . 1 1 10 10 ASN CB C 10 39.125 39.125 36.545 2.580 25969 8747 1 14 . 1 1 10 10 ASN H H 10 9.263 9.263 9.332 -0.069 25969 8748 1 14 . 1 1 11 11 LEU N N 11 125.021 125.021 120.181 4.840 25969 8749 1 14 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.960 0.661 25969 8750 1 14 . 1 1 11 11 LEU C C 11 178.567 178.567 177.815 0.752 25969 8751 1 14 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.352 1.534 25969 8752 1 14 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.142 1.118 25969 8753 1 14 . 1 1 11 11 LEU H H 11 8.560 8.560 7.858 0.702 25969 8754 1 14 . 1 1 12 12 ARG N N 12 117.977 117.977 118.363 -0.386 25969 8755 1 14 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.123 0.011 25969 8756 1 14 . 1 1 12 12 ARG C C 12 179.350 179.350 178.452 0.898 25969 8757 1 14 . 1 1 12 12 ARG CA C 12 60.347 60.347 57.976 2.371 25969 8758 1 14 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.656 1.035 25969 8759 1 14 . 1 1 12 12 ARG H H 12 8.114 8.114 8.157 -0.043 25969 8760 1 14 . 1 1 13 13 ALA N N 13 123.280 123.280 121.535 1.745 25969 8761 1 14 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.255 -0.042 25969 8762 1 14 . 1 1 13 13 ALA C C 13 180.957 180.957 179.373 1.584 25969 8763 1 14 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.397 0.005 25969 8764 1 14 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.262 -0.393 25969 8765 1 14 . 1 1 13 13 ALA H H 13 7.871 7.871 7.638 0.233 25969 8766 1 14 . 1 1 14 14 ALA N N 14 122.111 122.111 121.065 1.046 25969 8767 1 14 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.894 -0.189 25969 8768 1 14 . 1 1 14 14 ALA C C 14 178.578 178.578 178.786 -0.208 25969 8769 1 14 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.437 0.967 25969 8770 1 14 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.945 -0.685 25969 8771 1 14 . 1 1 14 14 ALA H H 14 7.930 7.930 7.263 0.667 25969 8772 1 14 . 1 1 15 15 HIS N N 15 118.502 118.502 117.293 1.209 25969 8773 1 14 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.141 -0.365 25969 8774 1 14 . 1 1 15 15 HIS C C 15 176.304 176.304 177.260 -0.956 25969 8775 1 14 . 1 1 15 15 HIS CA C 15 60.031 60.031 60.097 -0.066 25969 8776 1 14 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.830 1.540 25969 8777 1 14 . 1 1 15 15 HIS H H 15 8.422 8.422 8.748 -0.326 25969 8778 1 14 . 1 1 16 16 ALA N N 16 120.116 120.116 119.733 0.383 25969 8779 1 14 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.326 -0.472 25969 8780 1 14 . 1 1 16 16 ALA C C 16 180.644 180.644 178.732 1.912 25969 8781 1 14 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.839 1.632 25969 8782 1 14 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.655 -0.853 25969 8783 1 14 . 1 1 16 16 ALA H H 16 7.980 7.980 7.571 0.409 25969 8784 1 14 . 1 1 17 17 ALA N N 17 121.281 121.281 123.277 -1.996 25969 8785 1 14 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.087 0.089 25969 8786 1 14 . 1 1 17 17 ALA C C 17 180.122 180.122 179.190 0.932 25969 8787 1 14 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.738 -0.269 25969 8788 1 14 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.501 1.639 25969 8789 1 14 . 1 1 17 17 ALA H H 17 7.465 7.465 7.343 0.122 25969 8790 1 14 . 1 1 18 18 LEU N N 18 120.262 120.262 118.259 2.003 25969 8791 1 14 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.045 -0.238 25969 8792 1 14 . 1 1 18 18 LEU C C 18 178.766 178.766 179.338 -0.572 25969 8793 1 14 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.313 1.431 25969 8794 1 14 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.791 0.920 25969 8795 1 14 . 1 1 18 18 LEU H H 18 8.468 8.468 8.476 -0.008 25969 8796 1 14 . 1 1 19 19 LEU N N 19 119.078 119.078 121.303 -2.225 25969 8797 1 14 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.156 -0.294 25969 8798 1 14 . 1 1 19 19 LEU C C 19 179.517 179.517 178.364 1.153 25969 8799 1 14 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.541 -0.532 25969 8800 1 14 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.042 0.403 25969 8801 1 14 . 1 1 19 19 LEU H H 19 8.029 8.029 7.582 0.447 25969 8802 1 14 . 1 1 20 20 GLU N N 20 121.499 121.499 119.539 1.960 25969 8803 1 14 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.007 0.020 25969 8804 1 14 . 1 1 20 20 GLU C C 20 180.289 180.289 179.224 1.065 25969 8805 1 14 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.564 0.315 25969 8806 1 14 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.420 -0.130 25969 8807 1 14 . 1 1 20 20 GLU H H 20 7.895 7.895 8.542 -0.647 25969 8808 1 14 . 1 1 21 21 ASN N N 21 119.066 119.066 117.644 1.422 25969 8809 1 14 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.700 -0.162 25969 8810 1 14 . 1 1 21 21 ASN C C 21 177.368 177.368 177.368 0.000 25969 8811 1 14 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.775 0.097 25969 8812 1 14 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.700 1.744 25969 8813 1 14 . 1 1 21 21 ASN H H 21 8.373 8.373 8.346 0.027 25969 8814 1 14 . 1 1 22 22 ALA N N 22 125.274 125.274 123.969 1.305 25969 8815 1 14 . 1 1 22 22 ALA HA H 22 3.773 3.773 3.992 -0.219 25969 8816 1 14 . 1 1 22 22 ALA C C 22 179.402 179.402 179.855 -0.453 25969 8817 1 14 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.199 0.272 25969 8818 1 14 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.559 -0.339 25969 8819 1 14 . 1 1 22 22 ALA H H 22 8.886 8.886 8.406 0.480 25969 8820 1 14 . 1 1 23 23 ARG N N 23 119.945 119.945 116.887 3.058 25969 8821 1 14 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.182 0.015 25969 8822 1 14 . 1 1 23 23 ARG C C 23 179.726 179.726 178.481 1.245 25969 8823 1 14 . 1 1 23 23 ARG CA C 23 59.812 59.812 58.906 0.906 25969 8824 1 14 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.794 -0.103 25969 8825 1 14 . 1 1 23 23 ARG H H 23 8.168 8.168 8.284 -0.116 25969 8826 1 14 . 1 1 24 24 PHE N N 24 121.222 121.222 120.309 0.913 25969 8827 1 14 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.744 -0.377 25969 8828 1 14 . 1 1 24 24 PHE C C 24 177.410 177.410 177.899 -0.489 25969 8829 1 14 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.503 -0.155 25969 8830 1 14 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.142 -1.236 25969 8831 1 14 . 1 1 24 24 PHE H H 24 7.658 7.658 7.711 -0.053 25969 8832 1 14 . 1 1 25 25 MET N N 25 120.355 120.355 118.660 1.695 25969 8833 1 14 . 1 1 25 25 MET HA H 25 4.300 4.300 4.540 -0.240 25969 8834 1 14 . 1 1 25 25 MET C C 25 179.371 179.371 178.554 0.817 25969 8835 1 14 . 1 1 25 25 MET CA C 25 55.939 55.939 57.055 -1.116 25969 8836 1 14 . 1 1 25 25 MET CB C 25 29.424 29.424 31.154 -1.730 25969 8837 1 14 . 1 1 25 25 MET H H 25 8.358 8.358 9.090 -0.732 25969 8838 1 14 . 1 1 26 26 GLU N N 26 120.164 120.164 119.782 0.382 25969 8839 1 14 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.361 -0.023 25969 8840 1 14 . 1 1 26 26 GLU C C 26 179.934 179.934 179.900 0.034 25969 8841 1 14 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.540 0.513 25969 8842 1 14 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.497 -0.014 25969 8843 1 14 . 1 1 26 26 GLU H H 26 8.441 8.441 8.541 -0.100 25969 8844 1 14 . 1 1 27 27 GLN N N 27 121.309 121.309 119.486 1.823 25969 8845 1 14 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.164 -0.032 25969 8846 1 14 . 1 1 27 27 GLN C C 27 178.307 178.307 178.165 0.142 25969 8847 1 14 . 1 1 27 27 GLN CA C 27 58.610 58.610 58.566 0.045 25969 8848 1 14 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.892 -0.804 25969 8849 1 14 . 1 1 27 27 GLN H H 27 8.001 8.001 8.201 -0.200 25969 8850 1 14 . 1 1 28 28 PHE N N 28 124.569 124.569 121.463 3.106 25969 8851 1 14 . 1 1 28 28 PHE HA H 28 3.814 3.814 3.948 -0.134 25969 8852 1 14 . 1 1 28 28 PHE C C 28 177.717 177.717 177.437 0.280 25969 8853 1 14 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.541 0.651 25969 8854 1 14 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.060 0.283 25969 8855 1 14 . 1 1 28 28 PHE H H 28 8.760 8.760 8.436 0.324 25969 8856 1 14 . 1 1 29 29 TYR N N 29 121.726 121.726 119.439 2.287 25969 8857 1 14 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.110 -0.315 25969 8858 1 14 . 1 1 29 29 TYR C C 29 179.079 179.079 177.019 2.060 25969 8859 1 14 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.233 -0.284 25969 8860 1 14 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.639 0.068 25969 8861 1 14 . 1 1 29 29 TYR H H 29 8.956 8.956 8.389 0.567 25969 8862 1 14 . 1 1 30 30 ALA N N 30 121.142 121.142 119.915 1.227 25969 8863 1 14 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.082 -0.034 25969 8864 1 14 . 1 1 30 30 ALA C C 30 174.781 174.781 178.518 -3.737 25969 8865 1 14 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.192 0.678 25969 8866 1 14 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.295 -0.426 25969 8867 1 14 . 1 1 30 30 ALA H H 30 8.063 8.063 7.736 0.327 25969 8868 1 14 . 1 1 31 31 LYS N N 31 114.745 114.745 115.456 -0.711 25969 8869 1 14 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.207 -0.019 25969 8870 1 14 . 1 1 31 31 LYS C C 31 177.744 177.744 177.135 0.609 25969 8871 1 14 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.443 -0.035 25969 8872 1 14 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.355 -0.180 25969 8873 1 14 . 1 1 31 31 LYS H H 31 7.172 7.172 7.801 -0.629 25969 8874 1 14 . 1 1 32 32 LYS N N 32 117.388 117.388 117.490 -0.102 25969 8875 1 14 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.231 -0.118 25969 8876 1 14 . 1 1 32 32 LYS C C 32 177.747 177.747 176.593 1.154 25969 8877 1 14 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.184 -0.378 25969 8878 1 14 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.420 -0.522 25969 8879 1 14 . 1 1 32 32 LYS H H 32 8.154 8.154 7.764 0.390 25969 8880 1 14 . 1 1 33 33 GLY N N 33 109.017 109.017 105.300 3.717 25969 8881 1 14 . 1 1 33 33 GLY C C 33 171.798 171.798 173.249 -1.451 25969 8882 1 14 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.727 -0.076 25969 8883 1 14 . 1 1 33 33 GLY H H 33 8.945 8.945 8.290 0.655 25969 8884 1 14 . 1 1 34 34 SER N N 34 110.165 110.165 114.237 -4.072 25969 8885 1 14 . 1 1 34 34 SER HA H 34 4.136 4.136 5.158 -1.022 25969 8886 1 14 . 1 1 34 34 SER C C 34 172.862 172.862 173.716 -0.854 25969 8887 1 14 . 1 1 34 34 SER CA C 34 56.673 56.673 57.937 -1.264 25969 8888 1 14 . 1 1 34 34 SER CB C 34 64.621 64.621 65.852 -1.231 25969 8889 1 14 . 1 1 34 34 SER H H 34 6.756 6.756 7.503 -0.747 25969 8890 1 14 . 1 1 35 35 PHE N N 35 121.132 121.132 121.617 -0.485 25969 8891 1 14 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.824 0.290 25969 8892 1 14 . 1 1 35 35 PHE C C 35 172.888 172.888 174.548 -1.660 25969 8893 1 14 . 1 1 35 35 PHE CA C 35 59.260 59.260 59.756 -0.496 25969 8894 1 14 . 1 1 35 35 PHE CB C 35 40.488 40.488 41.334 -0.846 25969 8895 1 14 . 1 1 35 35 PHE H H 35 9.403 9.403 9.313 0.090 25969 8896 1 14 . 1 1 36 36 LYS N N 36 114.841 114.841 120.075 -5.234 25969 8897 1 14 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.443 -0.059 25969 8898 1 14 . 1 1 36 36 LYS C C 36 177.118 177.118 175.869 1.249 25969 8899 1 14 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.511 -0.239 25969 8900 1 14 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.632 -0.535 25969 8901 1 14 . 1 1 36 36 LYS H H 36 8.536 8.536 8.091 0.445 25969 8902 1 14 . 1 1 37 37 LEU N N 37 124.789 124.789 119.471 5.318 25969 8903 1 14 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.754 -0.304 25969 8904 1 14 . 1 1 37 37 LEU C C 37 177.535 177.535 177.155 0.380 25969 8905 1 14 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.141 2.601 25969 8906 1 14 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.449 1.802 25969 8907 1 14 . 1 1 37 37 LEU H H 37 8.503 8.503 8.411 0.092 25969 8908 1 14 . 1 1 38 38 THR N N 38 108.556 108.556 112.328 -3.772 25969 8909 1 14 . 1 1 38 38 THR HA H 38 4.619 4.619 4.544 0.075 25969 8910 1 14 . 1 1 38 38 THR C C 38 173.947 173.947 172.999 0.948 25969 8911 1 14 . 1 1 38 38 THR CA C 38 58.944 58.944 60.279 -1.335 25969 8912 1 14 . 1 1 38 38 THR CB C 38 71.818 71.818 70.316 1.502 25969 8913 1 14 . 1 1 38 38 THR H H 38 8.189 8.189 7.583 0.606 25969 8914 1 14 . 1 1 39 39 SER N N 39 110.757 110.757 118.144 -7.387 25969 8915 1 14 . 1 1 39 39 SER HA H 39 4.057 4.057 4.458 -0.401 25969 8916 1 14 . 1 1 39 39 SER C C 39 174.904 174.904 174.667 0.237 25969 8917 1 14 . 1 1 39 39 SER CA C 39 60.938 60.938 59.057 1.881 25969 8918 1 14 . 1 1 39 39 SER CB C 39 63.218 63.218 63.620 -0.402 25969 8919 1 14 . 1 1 39 39 SER H H 39 8.590 8.590 8.521 0.069 25969 8920 1 14 . 1 1 40 40 THR N N 40 129.807 129.807 112.910 16.897 25969 8921 1 14 . 1 1 40 40 THR HA H 40 4.453 4.453 3.754 0.699 25969 8922 1 14 . 1 1 40 40 THR C C 40 174.928 174.928 173.191 1.737 25969 8923 1 14 . 1 1 40 40 THR CA C 40 60.351 60.351 62.407 -2.056 25969 8924 1 14 . 1 1 40 40 THR CB C 40 69.910 69.910 67.259 2.651 25969 8925 1 14 . 1 1 40 40 THR H H 40 7.570 7.570 8.350 -0.780 25969 8926 1 14 . 1 1 41 41 LYS N N 41 125.614 125.614 119.657 5.957 25969 8927 1 14 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.610 0.102 25969 8928 1 14 . 1 1 41 41 LYS C C 41 174.907 174.907 174.291 0.616 25969 8929 1 14 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.752 0.986 25969 8930 1 14 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.050 1.992 25969 8931 1 14 . 1 1 41 41 LYS H H 41 7.425 7.425 7.649 -0.224 25969 8932 1 14 . 1 1 42 42 TRP N N 42 124.827 124.827 122.228 2.599 25969 8933 1 14 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.086 0.016 25969 8934 1 14 . 1 1 42 42 TRP C C 42 173.384 173.384 174.512 -1.128 25969 8935 1 14 . 1 1 42 42 TRP CA C 42 54.402 54.402 53.284 1.118 25969 8936 1 14 . 1 1 42 42 TRP CB C 42 29.891 29.891 30.486 -0.595 25969 8937 1 14 . 1 1 42 42 TRP H H 42 8.590 8.590 8.568 0.022 25969 8938 1 14 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.525 -0.078 25969 8939 1 14 . 1 1 43 43 PRO C C 43 174.990 174.990 176.176 -1.186 25969 8940 1 14 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.748 -0.197 25969 8941 1 14 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.451 -0.356 25969 8942 1 14 . 1 1 44 44 GLU N N 44 120.080 120.080 122.481 -2.401 25969 8943 1 14 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.170 -0.205 25969 8944 1 14 . 1 1 44 44 GLU C C 44 175.699 175.699 176.501 -0.802 25969 8945 1 14 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.447 -0.241 25969 8946 1 14 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.724 -1.142 25969 8947 1 14 . 1 1 44 44 GLU H H 44 8.134 8.134 8.484 -0.350 25969 8948 1 14 . 1 1 45 45 LEU N N 45 125.972 125.972 123.229 2.743 25969 8949 1 14 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.714 -0.751 25969 8950 1 14 . 1 1 45 45 LEU C C 45 176.242 176.242 175.474 0.768 25969 8951 1 14 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.770 -1.039 25969 8952 1 14 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.579 -0.267 25969 8953 1 14 . 1 1 45 45 LEU H H 45 8.363 8.363 8.200 0.163 25969 8954 1 14 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.187 -0.013 25969 8955 1 14 . 1 1 46 46 PRO C C 46 177.702 177.702 176.078 1.624 25969 8956 1 14 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.527 0.293 25969 8957 1 14 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.947 -0.386 25969 8958 1 14 . 1 1 47 47 VAL N N 47 119.474 119.474 118.778 0.696 25969 8959 1 14 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.889 0.346 25969 8960 1 14 . 1 1 47 47 VAL C C 47 175.178 175.178 175.217 -0.039 25969 8961 1 14 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.553 -0.537 25969 8962 1 14 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.328 -0.180 25969 8963 1 14 . 1 1 47 47 VAL H H 47 7.836 7.836 8.061 -0.225 25969 8964 1 14 . 1 1 48 48 LYS N N 48 124.385 124.385 123.539 0.846 25969 8965 1 14 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.659 -0.350 25969 8966 1 14 . 1 1 48 48 LYS C C 48 176.534 176.534 175.735 0.799 25969 8967 1 14 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.208 0.933 25969 8968 1 14 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.623 0.209 25969 8969 1 14 . 1 1 48 48 LYS H H 48 8.638 8.638 8.290 0.348 25969 8970 1 14 . 1 1 49 49 GLU N N 49 118.262 118.262 117.786 0.476 25969 8971 1 14 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.629 0.602 25969 8972 1 14 . 1 1 49 49 GLU C C 49 174.552 174.552 174.324 0.228 25969 8973 1 14 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.841 -0.570 25969 8974 1 14 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.618 1.679 25969 8975 1 14 . 1 1 49 49 GLU H H 49 7.473 7.473 7.657 -0.184 25969 8976 1 14 . 1 1 50 50 ALA N N 50 124.186 124.186 128.086 -3.900 25969 8977 1 14 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.552 -0.101 25969 8978 1 14 . 1 1 50 50 ALA C C 50 177.890 177.890 176.628 1.262 25969 8979 1 14 . 1 1 50 50 ALA CA C 50 53.133 53.133 53.113 0.020 25969 8980 1 14 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.523 3.090 25969 8981 1 14 . 1 1 50 50 ALA H H 50 8.902 8.902 9.009 -0.107 25969 8982 1 14 . 1 1 51 51 GLY N N 51 109.041 109.041 104.934 4.107 25969 8983 1 14 . 1 1 51 51 GLY C C 51 173.759 173.759 174.602 -0.843 25969 8984 1 14 . 1 1 51 51 GLY CA C 51 47.657 47.657 45.912 1.745 25969 8985 1 14 . 1 1 51 51 GLY H H 51 9.113 9.113 8.066 1.047 25969 8986 1 14 . 1 1 52 52 GLY N N 52 104.272 104.272 107.439 -3.167 25969 8987 1 14 . 1 1 52 52 GLY C C 52 174.156 174.156 172.999 1.157 25969 8988 1 14 . 1 1 52 52 GLY CA C 52 45.520 45.520 44.723 0.797 25969 8989 1 14 . 1 1 52 52 GLY H H 52 8.873 8.873 8.571 0.302 25969 8990 1 14 . 1 1 53 53 PHE N N 53 120.324 120.324 119.716 0.608 25969 8991 1 14 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.600 -0.443 25969 8992 1 14 . 1 1 53 53 PHE C C 53 175.574 175.574 174.146 1.428 25969 8993 1 14 . 1 1 53 53 PHE CA C 53 56.940 56.940 54.831 2.109 25969 8994 1 14 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.226 -1.847 25969 8995 1 14 . 1 1 53 53 PHE H H 53 8.278 8.278 7.638 0.640 25969 8996 1 14 . 1 1 54 54 CYS N N 54 116.465 116.465 118.173 -1.708 25969 8997 1 14 . 1 1 54 54 CYS HA H 54 5.660 5.660 5.043 0.617 25969 8998 1 14 . 1 1 54 54 CYS C C 54 173.092 173.092 173.091 0.001 25969 8999 1 14 . 1 1 54 54 CYS CA C 54 54.997 54.997 56.039 -1.042 25969 9000 1 14 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.618 14.878 25969 9001 1 14 . 1 1 54 54 CYS H H 54 9.911 9.911 9.137 0.774 25969 9002 1 14 . 1 1 55 55 ILE N N 55 119.910 119.910 123.120 -3.210 25969 9003 1 14 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.290 0.021 25969 9004 1 14 . 1 1 55 55 ILE C C 55 175.366 175.366 175.859 -0.493 25969 9005 1 14 . 1 1 55 55 ILE CA C 55 60.480 60.480 59.985 0.495 25969 9006 1 14 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.236 -0.537 25969 9007 1 14 . 1 1 55 55 ILE H H 55 7.971 7.971 8.428 -0.457 25969 9008 1 14 . 1 1 56 56 ARG N N 56 122.445 122.445 120.670 1.775 25969 9009 1 14 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.730 -0.109 25969 9010 1 14 . 1 1 56 56 ARG C C 56 174.948 174.948 174.239 0.709 25969 9011 1 14 . 1 1 56 56 ARG CA C 56 53.467 53.467 54.054 -0.587 25969 9012 1 14 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.217 1.193 25969 9013 1 14 . 1 1 56 56 ARG H H 56 8.927 8.927 8.238 0.689 25969 9014 1 14 . 1 1 57 57 MET N N 57 119.875 119.875 119.713 0.162 25969 9015 1 14 . 1 1 57 57 MET HA H 57 4.574 4.574 4.433 0.141 25969 9016 1 14 . 1 1 57 57 MET C C 57 175.845 175.845 176.070 -0.225 25969 9017 1 14 . 1 1 57 57 MET CA C 57 55.204 55.204 55.977 -0.773 25969 9018 1 14 . 1 1 57 57 MET CB C 57 32.162 32.162 33.959 -1.797 25969 9019 1 14 . 1 1 57 57 MET H H 57 9.022 9.022 8.710 0.312 25969 9020 1 14 . 1 1 58 58 SER N N 58 114.338 114.338 117.190 -2.852 25969 9021 1 14 . 1 1 58 58 SER HA H 58 5.138 5.138 4.367 0.771 25969 9022 1 14 . 1 1 58 58 SER C C 58 175.866 175.866 175.225 0.641 25969 9023 1 14 . 1 1 58 58 SER CA C 58 56.084 56.084 59.273 -3.189 25969 9024 1 14 . 1 1 58 58 SER CB C 58 63.977 63.977 64.023 -0.046 25969 9025 1 14 . 1 1 58 58 SER H H 58 8.559 8.559 8.548 0.011 25969 9026 1 14 . 1 1 59 59 GLY N N 59 116.880 116.880 108.459 8.421 25969 9027 1 14 . 1 1 59 59 GLY C C 59 172.257 172.257 173.955 -1.698 25969 9028 1 14 . 1 1 59 59 GLY CA C 59 43.702 43.702 44.831 -1.129 25969 9029 1 14 . 1 1 59 59 GLY H H 59 8.919 8.919 8.035 0.884 25969 9030 1 14 . 1 1 60 60 GLN N N 60 121.745 121.745 118.324 3.421 25969 9031 1 14 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.472 -0.081 25969 9032 1 14 . 1 1 60 60 GLN C C 60 177.222 177.222 177.031 0.191 25969 9033 1 14 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.534 -0.529 25969 9034 1 14 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.045 -0.203 25969 9035 1 14 . 1 1 60 60 GLN H H 60 8.575 8.575 8.454 0.121 25969 9036 1 14 . 1 1 61 61 ALA N N 61 128.305 128.305 126.013 2.292 25969 9037 1 14 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.999 -0.600 25969 9038 1 14 . 1 1 61 61 ALA C C 61 178.704 178.704 179.422 -0.718 25969 9039 1 14 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.676 0.613 25969 9040 1 14 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.770 -1.839 25969 9041 1 14 . 1 1 61 61 ALA H H 61 8.576 8.576 8.399 0.177 25969 9042 1 14 . 1 1 62 62 LYS N N 62 114.337 114.337 118.281 -3.944 25969 9043 1 14 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.193 -0.017 25969 9044 1 14 . 1 1 62 62 LYS C C 62 177.327 177.327 176.436 0.891 25969 9045 1 14 . 1 1 62 62 LYS CA C 62 58.076 58.076 56.735 1.341 25969 9046 1 14 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.531 -0.236 25969 9047 1 14 . 1 1 62 62 LYS H H 62 8.272 8.272 8.021 0.251 25969 9048 1 14 . 1 1 63 63 GLY N N 63 107.059 107.059 108.056 -0.997 25969 9049 1 14 . 1 1 63 63 GLY C C 63 173.759 173.759 173.459 0.300 25969 9050 1 14 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.962 -0.177 25969 9051 1 14 . 1 1 63 63 GLY H H 63 7.813 7.813 8.050 -0.237 25969 9052 1 14 . 1 1 64 64 ILE N N 64 122.496 122.496 122.428 0.068 25969 9053 1 14 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.462 -0.006 25969 9054 1 14 . 1 1 64 64 ILE C C 64 176.033 176.033 175.843 0.190 25969 9055 1 14 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.573 0.970 25969 9056 1 14 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.782 -2.810 25969 9057 1 14 . 1 1 64 64 ILE H H 64 7.256 7.256 7.995 -0.739 25969 9058 1 14 . 1 1 65 65 LEU N N 65 128.858 128.858 122.151 6.707 25969 9059 1 14 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.145 0.108 25969 9060 1 14 . 1 1 65 65 LEU C C 65 178.203 178.203 176.035 2.168 25969 9061 1 14 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.216 -0.678 25969 9062 1 14 . 1 1 65 65 LEU CB C 65 42.536 42.536 42.054 0.482 25969 9063 1 14 . 1 1 65 65 LEU H H 65 8.417 8.417 8.486 -0.069 25969 9064 1 14 . 1 1 66 66 GLU N N 66 119.109 119.109 122.681 -3.572 25969 9065 1 14 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.533 -0.292 25969 9066 1 14 . 1 1 66 66 GLU C C 66 177.436 177.436 176.497 0.939 25969 9067 1 14 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.497 0.761 25969 9068 1 14 . 1 1 66 66 GLU CB C 66 29.099 29.099 32.083 -2.983 25969 9069 1 14 . 1 1 66 66 GLU H H 66 8.590 8.590 8.463 0.127 25969 9070 1 14 . 1 1 67 67 GLY N N 67 108.490 108.490 111.137 -2.647 25969 9071 1 14 . 1 1 67 67 GLY C C 67 173.551 173.551 172.889 0.662 25969 9072 1 14 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.565 0.556 25969 9073 1 14 . 1 1 67 67 GLY H H 67 9.498 9.498 8.442 1.056 25969 9074 1 14 . 1 1 68 68 LYS N N 68 117.773 117.773 119.769 -1.996 25969 9075 1 14 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.154 0.642 25969 9076 1 14 . 1 1 68 68 LYS C C 68 175.637 175.637 174.302 1.335 25969 9077 1 14 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.774 -0.505 25969 9078 1 14 . 1 1 68 68 LYS CB C 68 35.702 35.702 34.908 0.794 25969 9079 1 14 . 1 1 68 68 LYS H H 68 7.604 7.604 7.534 0.070 25969 9080 1 14 . 1 1 69 69 PHE N N 69 114.518 114.518 123.258 -8.740 25969 9081 1 14 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.600 -0.128 25969 9082 1 14 . 1 1 69 69 PHE C C 69 172.591 172.591 174.333 -1.742 25969 9083 1 14 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.430 3.648 25969 9084 1 14 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.670 0.707 25969 9085 1 14 . 1 1 69 69 PHE H H 69 8.439 8.439 8.682 -0.243 25969 9086 1 14 . 1 1 70 70 THR N N 70 115.260 115.260 117.940 -2.680 25969 9087 1 14 . 1 1 70 70 THR HA H 70 4.602 4.602 4.811 -0.209 25969 9088 1 14 . 1 1 70 70 THR C C 70 172.508 172.508 172.668 -0.160 25969 9089 1 14 . 1 1 70 70 THR CA C 70 62.484 62.484 61.358 1.126 25969 9090 1 14 . 1 1 70 70 THR CB C 70 71.367 71.367 71.750 -0.383 25969 9091 1 14 . 1 1 70 70 THR H H 70 8.474 8.474 8.499 -0.025 25969 9092 1 14 . 1 1 71 71 LEU N N 71 128.144 128.144 122.580 5.564 25969 9093 1 14 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.695 -0.187 25969 9094 1 14 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.458 0.477 25969 9095 1 14 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.870 0.985 25969 9096 1 14 . 1 1 71 71 LEU H H 71 9.284 9.284 8.005 1.279 25969 9097 1 14 . 1 1 72 72 LYS N N 72 122.603 122.603 121.510 1.093 25969 9098 1 14 . 1 1 72 72 LYS HA H 72 5.388 5.388 5.046 0.342 25969 9099 1 14 . 1 1 72 72 LYS C C 72 171.972 171.972 174.419 -2.447 25969 9100 1 14 . 1 1 72 72 LYS CA C 72 54.402 54.402 53.847 0.555 25969 9101 1 14 . 1 1 72 72 LYS CB C 72 38.592 38.592 36.092 2.500 25969 9102 1 14 . 1 1 72 72 LYS H H 72 9.123 9.123 7.822 1.301 25969 9103 1 14 . 1 1 73 73 ALA N N 73 128.927 128.927 128.066 0.861 25969 9104 1 14 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.576 0.275 25969 9105 1 14 . 1 1 73 73 ALA C C 73 175.324 175.324 175.629 -0.305 25969 9106 1 14 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.677 -0.551 25969 9107 1 14 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.529 -1.053 25969 9108 1 14 . 1 1 73 73 ALA H H 73 9.178 9.178 8.857 0.321 25969 9109 1 14 . 1 1 74 74 VAL N N 74 123.425 123.425 120.902 2.523 25969 9110 1 14 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.056 0.083 25969 9111 1 14 . 1 1 74 74 VAL C C 74 173.425 173.425 174.072 -0.647 25969 9112 1 14 . 1 1 74 74 VAL CA C 74 60.850 60.850 59.903 0.947 25969 9113 1 14 . 1 1 74 74 VAL CB C 74 35.768 35.768 36.341 -0.573 25969 9114 1 14 . 1 1 74 74 VAL H H 74 8.727 8.727 8.730 -0.003 25969 9115 1 14 . 1 1 75 75 ALA N N 75 130.762 130.762 127.530 3.232 25969 9116 1 14 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.430 0.228 25969 9117 1 14 . 1 1 75 75 ALA C C 75 177.327 177.327 178.629 -1.302 25969 9118 1 14 . 1 1 75 75 ALA CA C 75 53.200 53.200 51.871 1.329 25969 9119 1 14 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.667 0.939 25969 9120 1 14 . 1 1 75 75 ALA H H 75 9.164 9.164 7.634 1.530 25969 9121 1 14 . 1 1 76 76 LEU N N 76 119.175 119.175 124.740 -5.565 25969 9122 1 14 . 1 1 76 76 LEU HA H 76 3.794 3.794 3.979 -0.185 25969 9123 1 14 . 1 1 76 76 LEU C C 76 178.036 178.036 177.955 0.081 25969 9124 1 14 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.489 0.788 25969 9125 1 14 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.003 -0.157 25969 9126 1 14 . 1 1 76 76 LEU H H 76 8.269 8.269 8.764 -0.495 25969 9127 1 14 . 1 1 77 77 ASP N N 77 115.777 115.777 114.825 0.952 25969 9128 1 14 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.797 -0.001 25969 9129 1 14 . 1 1 77 77 ASP C C 77 176.012 176.012 176.945 -0.933 25969 9130 1 14 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.845 -2.114 25969 9131 1 14 . 1 1 77 77 ASP CB C 77 40.176 40.176 39.755 0.421 25969 9132 1 14 . 1 1 77 77 ASP H H 77 7.715 7.715 8.064 -0.349 25969 9133 1 14 . 1 1 78 78 ARG N N 78 122.846 122.846 119.095 3.751 25969 9134 1 14 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.116 -0.033 25969 9135 1 14 . 1 1 78 78 ARG C C 78 177.869 177.869 176.867 1.002 25969 9136 1 14 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.513 -1.105 25969 9137 1 14 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.235 0.389 25969 9138 1 14 . 1 1 78 78 ARG H H 78 8.408 8.408 7.654 0.754 25969 9139 1 14 . 1 1 79 79 GLU N N 79 118.091 118.091 118.959 -0.868 25969 9140 1 14 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.065 -0.046 25969 9141 1 14 . 1 1 79 79 GLU C C 79 177.930 177.930 177.089 0.841 25969 9142 1 14 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.361 -0.037 25969 9143 1 14 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.280 -0.146 25969 9144 1 14 . 1 1 79 79 GLU H H 79 7.888 7.888 8.263 -0.375 25969 9145 1 14 . 1 1 80 80 ALA N N 80 120.528 120.528 118.688 1.840 25969 9146 1 14 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.478 -0.376 25969 9147 1 14 . 1 1 80 80 ALA C C 80 178.142 178.142 176.551 1.591 25969 9148 1 14 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.627 0.440 25969 9149 1 14 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.720 -1.448 25969 9150 1 14 . 1 1 80 80 ALA H H 80 7.175 7.175 8.031 -0.856 25969 9151 1 14 . 1 1 81 81 GLU N N 81 115.377 115.377 118.624 -3.247 25969 9152 1 14 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.832 -0.070 25969 9153 1 14 . 1 1 81 81 GLU C C 81 171.047 171.047 174.837 -3.790 25969 9154 1 14 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.700 -0.502 25969 9155 1 14 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.501 1.192 25969 9156 1 14 . 1 1 81 81 GLU H H 81 7.457 7.457 7.496 -0.039 25969 9157 1 14 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.209 0.488 25969 9158 1 14 . 1 1 82 82 PRO C C 82 177.636 177.636 176.530 1.106 25969 9159 1 14 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.853 -1.262 25969 9160 1 14 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.908 0.924 25969 9161 1 14 . 1 1 83 83 ARG N N 83 118.488 118.488 118.405 0.083 25969 9162 1 14 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.320 0.254 25969 9163 1 14 . 1 1 83 83 ARG C C 83 176.870 176.870 175.895 0.975 25969 9164 1 14 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.076 -0.032 25969 9165 1 14 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.767 0.409 25969 9166 1 14 . 1 1 83 83 ARG H H 83 8.554 8.554 7.717 0.837 25969 9167 1 14 . 1 1 84 84 VAL N N 84 111.376 111.376 119.074 -7.698 25969 9168 1 14 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.090 -0.063 25969 9169 1 14 . 1 1 84 84 VAL C C 84 174.302 174.302 174.533 -0.231 25969 9170 1 14 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.367 -0.824 25969 9171 1 14 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.514 0.175 25969 9172 1 14 . 1 1 84 84 VAL H H 84 8.304 8.304 8.364 -0.060 25969 9173 1 14 . 1 1 85 85 LEU N N 85 122.000 122.000 122.050 -0.050 25969 9174 1 14 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.152 0.176 25969 9175 1 14 . 1 1 85 85 LEU C C 85 175.491 175.491 174.300 1.191 25969 9176 1 14 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.313 -0.447 25969 9177 1 14 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.831 0.291 25969 9178 1 14 . 1 1 85 85 LEU H H 85 8.095 8.095 8.830 -0.735 25969 9179 1 14 . 1 1 86 86 ARG N N 86 119.409 119.409 121.494 -2.085 25969 9180 1 14 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.337 0.133 25969 9181 1 14 . 1 1 86 86 ARG C C 86 174.928 174.928 173.391 1.537 25969 9182 1 14 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.781 -0.579 25969 9183 1 14 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.213 1.422 25969 9184 1 14 . 1 1 86 86 ARG H H 86 8.851 8.851 8.160 0.691 25969 9185 1 14 . 1 1 87 87 LEU N N 87 122.550 122.550 123.132 -0.582 25969 9186 1 14 . 1 1 87 87 LEU HA H 87 5.074 5.074 4.922 0.152 25969 9187 1 14 . 1 1 87 87 LEU C C 87 174.406 174.406 174.250 0.156 25969 9188 1 14 . 1 1 87 87 LEU CA C 87 55.004 55.004 54.119 0.885 25969 9189 1 14 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.160 1.964 25969 9190 1 14 . 1 1 87 87 LEU H H 87 8.798 8.798 8.137 0.661 25969 9191 1 14 . 1 1 88 88 ASN N N 88 125.347 125.347 122.964 2.383 25969 9192 1 14 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.595 -0.172 25969 9193 1 14 . 1 1 88 88 ASN C C 88 176.576 176.576 176.757 -0.181 25969 9194 1 14 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.444 -0.581 25969 9195 1 14 . 1 1 88 88 ASN CB C 88 40.577 40.577 41.340 -0.763 25969 9196 1 14 . 1 1 88 88 ASN H H 88 7.376 7.376 8.103 -0.727 25969 9197 1 14 . 1 1 89 89 GLU N N 89 114.953 114.953 120.978 -6.025 25969 9198 1 14 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.315 -0.919 25969 9199 1 14 . 1 1 89 89 GLU C C 89 176.684 176.684 177.075 -0.391 25969 9200 1 14 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.745 -0.205 25969 9201 1 14 . 1 1 89 89 GLU CB C 89 27.870 27.870 29.133 -1.263 25969 9202 1 14 . 1 1 89 89 GLU H H 89 7.586 7.586 8.328 -0.742 25969 9203 1 14 . 1 1 90 90 SER N N 90 117.110 117.110 113.756 3.354 25969 9204 1 14 . 1 1 90 90 SER HA H 90 4.442 4.442 4.367 0.075 25969 9205 1 14 . 1 1 90 90 SER C C 90 174.051 174.051 174.990 -0.939 25969 9206 1 14 . 1 1 90 90 SER CA C 90 58.895 58.895 57.903 0.993 25969 9207 1 14 . 1 1 90 90 SER CB C 90 63.886 63.886 63.676 0.210 25969 9208 1 14 . 1 1 90 90 SER H H 90 7.385 7.385 7.644 -0.259 25969 9209 1 14 . 1 1 91 91 LEU N N 91 116.559 116.559 119.691 -3.132 25969 9210 1 14 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.064 -0.367 25969 9211 1 14 . 1 1 91 91 LEU C C 91 175.825 175.825 175.093 0.732 25969 9212 1 14 . 1 1 91 91 LEU CA C 91 56.042 56.042 55.774 0.268 25969 9213 1 14 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.631 -1.926 25969 9214 1 14 . 1 1 91 91 LEU H H 91 8.704 8.704 7.725 0.979 25969 9215 1 14 . 1 1 92 92 THR N N 92 115.529 115.529 114.346 1.183 25969 9216 1 14 . 1 1 92 92 THR HA H 92 4.254 4.254 4.415 -0.161 25969 9217 1 14 . 1 1 92 92 THR C C 92 173.425 173.425 173.330 0.095 25969 9218 1 14 . 1 1 92 92 THR CA C 92 62.617 62.617 62.668 -0.051 25969 9219 1 14 . 1 1 92 92 THR CB C 92 69.096 69.096 69.152 -0.056 25969 9220 1 14 . 1 1 92 92 THR H H 92 7.704 7.704 7.616 0.088 25969 9221 1 14 . 1 1 93 93 ALA N N 93 130.459 130.459 131.061 -0.602 25969 9222 1 14 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.436 0.251 25969 9223 1 14 . 1 1 93 93 ALA C C 93 177.201 177.201 175.410 1.791 25969 9224 1 14 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.438 0.824 25969 9225 1 14 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.305 -0.495 25969 9226 1 14 . 1 1 93 93 ALA H H 93 9.002 9.002 8.511 0.491 25969 9227 1 14 . 1 1 94 94 VAL N N 94 117.872 117.872 120.980 -3.108 25969 9228 1 14 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.844 0.060 25969 9229 1 14 . 1 1 94 94 VAL C C 94 173.613 173.613 173.560 0.053 25969 9230 1 14 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.885 -1.206 25969 9231 1 14 . 1 1 94 94 VAL CB C 94 36.036 36.036 35.411 0.625 25969 9232 1 14 . 1 1 94 94 VAL H H 94 8.833 8.833 8.316 0.517 25969 9233 1 14 . 1 1 95 95 VAL N N 95 121.842 121.842 127.119 -5.277 25969 9234 1 14 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.820 0.433 25969 9235 1 14 . 1 1 95 95 VAL C C 95 174.552 174.552 173.874 0.678 25969 9236 1 14 . 1 1 95 95 VAL CA C 95 57.942 57.942 59.213 -1.271 25969 9237 1 14 . 1 1 95 95 VAL CB C 95 34.900 34.900 33.996 0.904 25969 9238 1 14 . 1 1 95 95 VAL H H 95 9.286 9.286 8.705 0.581 25969 9239 1 14 . 1 1 96 96 CYS N N 96 126.839 126.839 124.267 2.572 25969 9240 1 14 . 1 1 96 96 CYS HA H 96 5.423 5.423 4.924 0.499 25969 9241 1 14 . 1 1 96 96 CYS C C 96 174.135 174.135 175.594 -1.459 25969 9242 1 14 . 1 1 96 96 CYS CA C 96 54.269 54.269 58.192 -3.923 25969 9243 1 14 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.680 15.775 25969 9244 1 14 . 1 1 96 96 CYS H H 96 9.452 9.452 8.927 0.525 25969 9245 1 14 . 1 1 97 97 GLY N N 97 109.718 109.718 109.142 0.576 25969 9246 1 14 . 1 1 97 97 GLY C C 97 172.639 172.639 173.323 -0.684 25969 9247 1 14 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.557 0.831 25969 9248 1 14 . 1 1 97 97 GLY H H 97 8.355 8.355 8.810 -0.455 25969 9249 1 14 . 1 1 98 98 LYS N N 98 114.844 114.844 120.103 -5.259 25969 9250 1 14 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.537 0.207 25969 9251 1 14 . 1 1 98 98 LYS C C 98 174.051 174.051 174.567 -0.516 25969 9252 1 14 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.195 -0.859 25969 9253 1 14 . 1 1 98 98 LYS CB C 98 35.528 35.528 36.074 -0.546 25969 9254 1 14 . 1 1 98 98 LYS H H 98 7.632 7.632 7.773 -0.141 25969 9255 1 14 . 1 1 99 99 MET N N 99 124.801 124.801 126.799 -1.998 25969 9256 1 14 . 1 1 99 99 MET HA H 99 5.017 5.017 4.763 0.254 25969 9257 1 14 . 1 1 99 99 MET C C 99 176.337 176.337 175.059 1.278 25969 9258 1 14 . 1 1 99 99 MET CA C 99 54.803 54.803 55.151 -0.347 25969 9259 1 14 . 1 1 99 99 MET CB C 99 34.646 34.646 33.935 0.711 25969 9260 1 14 . 1 1 99 99 MET H H 99 8.759 8.759 8.915 -0.156 25969 9261 1 14 . 1 1 100 100 LYS N N 100 126.252 126.252 126.508 -0.256 25969 9262 1 14 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.353 0.023 25969 9263 1 14 . 1 1 100 100 LYS C C 100 177.222 177.222 177.216 0.006 25969 9264 1 14 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.298 -0.843 25969 9265 1 14 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.162 -0.733 25969 9266 1 14 . 1 1 100 100 LYS H H 100 8.602 8.602 8.112 0.490 25969 9267 1 14 . 1 1 101 101 GLY N N 101 108.944 108.944 107.232 1.712 25969 9268 1 14 . 1 1 101 101 GLY C C 101 173.613 173.613 174.269 -0.656 25969 9269 1 14 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.386 0.198 25969 9270 1 14 . 1 1 101 101 GLY H H 101 8.385 8.385 7.624 0.761 25969 9271 1 14 . 1 1 102 102 LYS N N 102 118.594 118.594 120.210 -1.616 25969 9272 1 14 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.056 0.358 25969 9273 1 14 . 1 1 102 102 LYS C C 102 176.867 176.867 175.824 1.043 25969 9274 1 14 . 1 1 102 102 LYS CA C 102 55.872 55.872 58.025 -2.153 25969 9275 1 14 . 1 1 102 102 LYS CB C 102 33.023 33.023 32.135 0.888 25969 9276 1 14 . 1 1 102 102 LYS H H 102 8.436 8.436 7.856 0.580 25969 9277 1 14 . 1 1 103 103 GLY N N 103 110.581 110.581 105.638 4.943 25969 9278 1 14 . 1 1 103 103 GLY C C 103 171.631 171.631 172.731 -1.100 25969 9279 1 14 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.161 1.758 25969 9280 1 14 . 1 1 103 103 GLY H H 103 8.443 8.443 8.053 0.390 25969 9281 1 14 . 1 1 104 104 SER N N 104 113.710 113.710 116.812 -3.102 25969 9282 1 14 . 1 1 104 104 SER HA H 104 4.697 4.697 4.853 -0.156 25969 9283 1 14 . 1 1 104 104 SER C C 104 174.680 174.680 174.242 0.438 25969 9284 1 14 . 1 1 104 104 SER CA C 104 57.331 57.331 57.512 -0.181 25969 9285 1 14 . 1 1 104 104 SER CB C 104 66.178 66.178 66.072 0.106 25969 9286 1 14 . 1 1 104 104 SER H H 104 8.535 8.535 8.232 0.303 25969 9287 1 14 . 1 1 105 105 CYS N N 105 118.835 118.835 122.599 -3.764 25969 9288 1 14 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.450 0.162 25969 9289 1 14 . 1 1 105 105 CYS C C 105 176.502 176.502 175.639 0.863 25969 9290 1 14 . 1 1 105 105 CYS CA C 105 57.136 57.136 59.643 -2.507 25969 9291 1 14 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.986 12.426 25969 9292 1 14 . 1 1 105 105 CYS H H 105 10.009 10.009 8.765 1.244 25969 9293 1 14 . 1 1 106 106 THR N N 106 107.957 107.957 114.407 -6.450 25969 9294 1 14 . 1 1 106 106 THR HA H 106 4.574 4.574 3.866 0.708 25969 9295 1 14 . 1 1 106 106 THR C C 106 175.178 175.178 173.618 1.560 25969 9296 1 14 . 1 1 106 106 THR CA C 106 61.014 61.014 63.786 -2.772 25969 9297 1 14 . 1 1 106 106 THR CB C 106 68.495 68.495 68.334 0.161 25969 9298 1 14 . 1 1 106 106 THR H H 106 8.030 8.030 8.718 -0.688 25969 9299 1 14 . 1 1 107 107 ASP N N 107 120.763 120.763 118.690 2.073 25969 9300 1 14 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.746 -0.426 25969 9301 1 14 . 1 1 107 107 ASP C C 107 177.264 177.264 175.553 1.711 25969 9302 1 14 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.426 0.578 25969 9303 1 14 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.827 -2.983 25969 9304 1 14 . 1 1 107 107 ASP H H 107 7.531 7.531 7.740 -0.209 25969 9305 1 14 . 1 1 108 108 GLY N N 108 108.602 108.602 108.856 -0.254 25969 9306 1 14 . 1 1 108 108 GLY C C 108 174.698 174.698 173.850 0.848 25969 9307 1 14 . 1 1 108 108 GLY CA C 108 45.653 45.653 45.015 0.638 25969 9308 1 14 . 1 1 108 108 GLY H H 108 8.591 8.591 7.957 0.634 25969 9309 1 14 . 1 1 109 109 GLU N N 109 120.191 120.191 119.418 0.773 25969 9310 1 14 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.223 0.229 25969 9311 1 14 . 1 1 109 109 GLU C C 109 176.472 176.472 175.670 0.802 25969 9312 1 14 . 1 1 109 109 GLU CA C 109 55.678 55.678 56.941 -1.263 25969 9313 1 14 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.710 0.174 25969 9314 1 14 . 1 1 109 109 GLU H H 109 8.292 8.292 7.960 0.332 25969 9315 1 14 . 1 1 110 110 GLU N N 110 116.857 116.857 123.778 -6.921 25969 9316 1 14 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.220 -0.004 25969 9317 1 14 . 1 1 110 110 GLU C C 110 176.381 176.381 174.946 1.435 25969 9318 1 14 . 1 1 110 110 GLU CA C 110 57.136 57.136 57.568 -0.432 25969 9319 1 14 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.090 0.183 25969 9320 1 14 . 1 1 110 110 GLU H H 110 9.028 9.028 8.503 0.525 25969 9321 1 14 . 1 1 111 111 ILE N N 111 109.164 109.164 110.333 -1.169 25969 9322 1 14 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.958 -0.123 25969 9323 1 14 . 1 1 111 111 ILE C C 111 176.868 176.868 174.192 2.676 25969 9324 1 14 . 1 1 111 111 ILE CA C 111 59.142 59.142 58.927 0.215 25969 9325 1 14 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.695 1.420 25969 9326 1 14 . 1 1 111 111 ILE H H 111 7.022 7.022 7.184 -0.162 25969 9327 1 14 . 1 1 112 112 PHE N N 112 118.509 118.509 122.677 -4.168 25969 9328 1 14 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.970 0.142 25969 9329 1 14 . 1 1 112 112 PHE C C 112 174.171 174.171 173.547 0.624 25969 9330 1 14 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.595 2.196 25969 9331 1 14 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.873 2.986 25969 9332 1 14 . 1 1 112 112 PHE H H 112 8.605 8.605 8.016 0.589 25969 9333 1 14 . 1 1 113 113 ARG N N 113 119.908 119.908 124.211 -4.303 25969 9334 1 14 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.427 0.345 25969 9335 1 14 . 1 1 113 113 ARG C C 113 176.930 176.930 175.886 1.044 25969 9336 1 14 . 1 1 113 113 ARG CA C 113 55.404 55.404 53.962 1.442 25969 9337 1 14 . 1 1 113 113 ARG CB C 113 33.431 33.431 31.407 2.024 25969 9338 1 14 . 1 1 113 113 ARG H H 113 9.352 9.352 7.560 1.792 25969 9339 1 14 . 1 1 114 114 GLY N N 114 109.477 109.477 112.049 -2.572 25969 9340 1 14 . 1 1 114 114 GLY C C 114 173.738 173.738 173.861 -0.123 25969 9341 1 14 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.757 -1.306 25969 9342 1 14 . 1 1 114 114 GLY H H 114 8.467 8.467 8.534 -0.067 25969 9343 1 14 . 1 1 115 115 ASN N N 115 119.193 119.193 119.802 -0.609 25969 9344 1 14 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.746 -0.012 25969 9345 1 14 . 1 1 115 115 ASN C C 115 173.530 173.530 173.720 -0.190 25969 9346 1 14 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.878 -0.145 25969 9347 1 14 . 1 1 115 115 ASN CB C 115 39.642 39.642 40.077 -0.435 25969 9348 1 14 . 1 1 115 115 ASN H H 115 8.523 8.523 8.385 0.138 25969 9349 1 14 . 1 1 116 116 ASP N N 116 120.602 120.602 118.655 1.947 25969 9350 1 14 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.188 -0.105 25969 9351 1 14 . 1 1 116 116 ASP C C 116 174.030 174.030 174.717 -0.687 25969 9352 1 14 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.657 1.612 25969 9353 1 14 . 1 1 116 116 ASP CB C 116 43.983 43.983 42.628 1.355 25969 9354 1 14 . 1 1 116 116 ASP H H 116 8.098 8.098 7.884 0.214 25969 9355 1 14 . 1 1 117 117 ALA N N 117 123.146 123.146 120.472 2.674 25969 9356 1 14 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.547 0.169 25969 9357 1 14 . 1 1 117 117 ALA C C 117 175.345 175.345 176.197 -0.852 25969 9358 1 14 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.744 -0.282 25969 9359 1 14 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.313 1.832 25969 9360 1 14 . 1 1 117 117 ALA H H 117 8.979 8.979 8.335 0.644 25969 9361 1 14 . 1 1 118 118 GLU N N 118 115.917 115.917 116.088 -0.171 25969 9362 1 14 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.991 -0.096 25969 9363 1 14 . 1 1 118 118 GLU C C 118 177.181 177.181 174.791 2.390 25969 9364 1 14 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.413 -1.056 25969 9365 1 14 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.311 -0.559 25969 9366 1 14 . 1 1 118 118 GLU H H 118 8.829 8.829 8.735 0.094 25969 9367 1 14 . 1 1 119 119 CYS N N 119 119.476 119.476 117.094 2.382 25969 9368 1 14 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.319 0.151 25969 9369 1 14 . 1 1 119 119 CYS C C 119 174.738 174.738 174.588 0.150 25969 9370 1 14 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.248 -1.084 25969 9371 1 14 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.441 13.018 25969 9372 1 14 . 1 1 119 119 CYS H H 119 8.671 8.671 8.136 0.535 25969 9373 1 14 . 1 1 120 120 ARG N N 120 123.444 123.444 121.779 1.665 25969 9374 1 14 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.014 -0.089 25969 9375 1 14 . 1 1 120 120 ARG C C 120 172.028 172.028 173.193 -1.165 25969 9376 1 14 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.061 0.607 25969 9377 1 14 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.743 0.818 25969 9378 1 14 . 1 1 120 120 ARG H H 120 9.238 9.238 9.189 0.049 25969 9379 1 14 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.694 -0.148 25969 9380 1 14 . 1 1 121 121 PRO C C 121 176.138 176.138 175.456 0.682 25969 9381 1 14 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.116 0.904 25969 9382 1 14 . 1 1 121 121 PRO CB C 121 32.162 32.162 32.013 0.149 25969 9383 1 14 . 1 1 122 122 PHE N N 122 124.392 124.392 125.482 -1.090 25969 9384 1 14 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.768 -0.062 25969 9385 1 14 . 1 1 122 122 PHE C C 122 175.032 175.032 174.326 0.706 25969 9386 1 14 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.152 1.256 25969 9387 1 14 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.635 -2.258 25969 9388 1 14 . 1 1 122 122 PHE H H 122 8.335 8.335 8.737 -0.402 25969 9389 1 14 . 1 1 123 123 THR N N 123 118.912 118.912 114.256 4.656 25969 9390 1 14 . 1 1 123 123 THR HA H 123 4.140 4.140 4.559 -0.419 25969 9391 1 14 . 1 1 123 123 THR C C 123 173.071 173.071 173.990 -0.919 25969 9392 1 14 . 1 1 123 123 THR CA C 123 60.948 60.948 60.170 0.778 25969 9393 1 14 . 1 1 123 123 THR CB C 123 69.430 69.430 69.617 -0.187 25969 9394 1 14 . 1 1 123 123 THR H H 123 8.146 8.146 7.893 0.253 25969 9395 1 15 . 1 1 7 7 ARG N N 7 122.494 122.494 123.108 -0.614 25969 9396 1 15 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.453 -0.103 25969 9397 1 15 . 1 1 7 7 ARG C C 7 177.037 177.037 175.545 1.492 25969 9398 1 15 . 1 1 7 7 ARG CA C 7 56.724 56.724 56.264 0.460 25969 9399 1 15 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.390 -0.509 25969 9400 1 15 . 1 1 7 7 ARG H H 7 8.649 8.649 8.532 0.117 25969 9401 1 15 . 1 1 8 8 SER N N 8 117.535 117.535 115.911 1.624 25969 9402 1 15 . 1 1 8 8 SER HA H 8 4.384 4.384 4.463 -0.079 25969 9403 1 15 . 1 1 8 8 SER C C 8 174.613 174.613 174.958 -0.345 25969 9404 1 15 . 1 1 8 8 SER CA C 8 59.412 59.412 58.927 0.485 25969 9405 1 15 . 1 1 8 8 SER CB C 8 63.686 63.686 63.073 0.613 25969 9406 1 15 . 1 1 8 8 SER H H 8 8.522 8.522 8.322 0.200 25969 9407 1 15 . 1 1 9 9 ALA N N 9 126.336 126.336 126.829 -0.493 25969 9408 1 15 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.388 0.077 25969 9409 1 15 . 1 1 9 9 ALA C C 9 178.349 178.349 177.148 1.201 25969 9410 1 15 . 1 1 9 9 ALA CA C 9 53.067 53.067 53.465 -0.398 25969 9411 1 15 . 1 1 9 9 ALA CB C 9 18.914 18.914 19.262 -0.347 25969 9412 1 15 . 1 1 9 9 ALA H H 9 8.415 8.415 8.113 0.302 25969 9413 1 15 . 1 1 10 10 ASN N N 10 121.438 121.438 112.555 8.883 25969 9414 1 15 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.646 0.040 25969 9415 1 15 . 1 1 10 10 ASN C C 10 175.571 175.571 175.663 -0.092 25969 9416 1 15 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.168 0.079 25969 9417 1 15 . 1 1 10 10 ASN CB C 10 39.125 39.125 37.100 2.025 25969 9418 1 15 . 1 1 10 10 ASN H H 10 9.263 9.263 8.259 1.004 25969 9419 1 15 . 1 1 11 11 LEU N N 11 125.021 125.021 120.010 5.011 25969 9420 1 15 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.677 0.944 25969 9421 1 15 . 1 1 11 11 LEU C C 11 178.567 178.567 177.237 1.330 25969 9422 1 15 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.498 1.389 25969 9423 1 15 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.054 1.206 25969 9424 1 15 . 1 1 11 11 LEU H H 11 8.560 8.560 8.105 0.455 25969 9425 1 15 . 1 1 12 12 ARG N N 12 117.977 117.977 118.967 -0.990 25969 9426 1 15 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.071 0.063 25969 9427 1 15 . 1 1 12 12 ARG C C 12 179.350 179.350 178.758 0.592 25969 9428 1 15 . 1 1 12 12 ARG CA C 12 60.347 60.347 58.663 1.683 25969 9429 1 15 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.475 1.216 25969 9430 1 15 . 1 1 12 12 ARG H H 12 8.114 8.114 8.481 -0.367 25969 9431 1 15 . 1 1 13 13 ALA N N 13 123.280 123.280 121.513 1.767 25969 9432 1 15 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.137 0.076 25969 9433 1 15 . 1 1 13 13 ALA C C 13 180.957 180.957 179.591 1.366 25969 9434 1 15 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.766 -0.364 25969 9435 1 15 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.036 -0.167 25969 9436 1 15 . 1 1 13 13 ALA H H 13 7.871 7.871 8.003 -0.132 25969 9437 1 15 . 1 1 14 14 ALA N N 14 122.111 122.111 120.742 1.369 25969 9438 1 15 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.954 -0.249 25969 9439 1 15 . 1 1 14 14 ALA C C 14 178.578 178.578 179.104 -0.526 25969 9440 1 15 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.340 1.063 25969 9441 1 15 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.718 -0.458 25969 9442 1 15 . 1 1 14 14 ALA H H 14 7.930 7.930 7.164 0.766 25969 9443 1 15 . 1 1 15 15 HIS N N 15 118.502 118.502 117.581 0.921 25969 9444 1 15 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.220 -0.444 25969 9445 1 15 . 1 1 15 15 HIS C C 15 176.304 176.304 176.858 -0.554 25969 9446 1 15 . 1 1 15 15 HIS CA C 15 60.031 60.031 59.985 0.046 25969 9447 1 15 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.658 1.712 25969 9448 1 15 . 1 1 15 15 HIS H H 15 8.422 8.422 8.741 -0.319 25969 9449 1 15 . 1 1 16 16 ALA N N 16 120.116 120.116 119.861 0.255 25969 9450 1 15 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.335 -0.481 25969 9451 1 15 . 1 1 16 16 ALA C C 16 180.644 180.644 178.734 1.910 25969 9452 1 15 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.873 1.598 25969 9453 1 15 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.837 -1.035 25969 9454 1 15 . 1 1 16 16 ALA H H 16 7.980 7.980 7.576 0.404 25969 9455 1 15 . 1 1 17 17 ALA N N 17 121.281 121.281 122.916 -1.635 25969 9456 1 15 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.104 0.072 25969 9457 1 15 . 1 1 17 17 ALA C C 17 180.122 180.122 179.259 0.863 25969 9458 1 15 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.767 -0.298 25969 9459 1 15 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.486 1.654 25969 9460 1 15 . 1 1 17 17 ALA H H 17 7.465 7.465 7.315 0.150 25969 9461 1 15 . 1 1 18 18 LEU N N 18 120.262 120.262 118.384 1.878 25969 9462 1 15 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.057 -0.250 25969 9463 1 15 . 1 1 18 18 LEU C C 18 178.766 178.766 179.360 -0.594 25969 9464 1 15 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.386 1.358 25969 9465 1 15 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.877 0.834 25969 9466 1 15 . 1 1 18 18 LEU H H 18 8.468 8.468 8.469 -0.001 25969 9467 1 15 . 1 1 19 19 LEU N N 19 119.078 119.078 120.617 -1.539 25969 9468 1 15 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.174 -0.312 25969 9469 1 15 . 1 1 19 19 LEU C C 19 179.517 179.517 178.279 1.238 25969 9470 1 15 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.335 -0.326 25969 9471 1 15 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.124 0.321 25969 9472 1 15 . 1 1 19 19 LEU H H 19 8.029 8.029 7.559 0.470 25969 9473 1 15 . 1 1 20 20 GLU N N 20 121.499 121.499 119.715 1.784 25969 9474 1 15 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.016 0.011 25969 9475 1 15 . 1 1 20 20 GLU C C 20 180.289 180.289 179.281 1.008 25969 9476 1 15 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.948 -0.069 25969 9477 1 15 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.392 -0.102 25969 9478 1 15 . 1 1 20 20 GLU H H 20 7.895 7.895 8.531 -0.636 25969 9479 1 15 . 1 1 21 21 ASN N N 21 119.066 119.066 118.231 0.835 25969 9480 1 15 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.691 -0.153 25969 9481 1 15 . 1 1 21 21 ASN C C 21 177.368 177.368 177.060 0.308 25969 9482 1 15 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.951 -0.079 25969 9483 1 15 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.809 1.635 25969 9484 1 15 . 1 1 21 21 ASN H H 21 8.373 8.373 8.441 -0.068 25969 9485 1 15 . 1 1 22 22 ALA N N 22 125.274 125.274 123.818 1.456 25969 9486 1 15 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.041 -0.268 25969 9487 1 15 . 1 1 22 22 ALA C C 22 179.402 179.402 179.949 -0.547 25969 9488 1 15 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.265 0.206 25969 9489 1 15 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.611 -0.391 25969 9490 1 15 . 1 1 22 22 ALA H H 22 8.886 8.886 8.385 0.501 25969 9491 1 15 . 1 1 23 23 ARG N N 23 119.945 119.945 116.665 3.280 25969 9492 1 15 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.239 -0.042 25969 9493 1 15 . 1 1 23 23 ARG C C 23 179.726 179.726 178.549 1.177 25969 9494 1 15 . 1 1 23 23 ARG CA C 23 59.812 59.812 58.752 1.060 25969 9495 1 15 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.767 -0.076 25969 9496 1 15 . 1 1 23 23 ARG H H 23 8.168 8.168 8.326 -0.158 25969 9497 1 15 . 1 1 24 24 PHE N N 24 121.222 121.222 120.567 0.655 25969 9498 1 15 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.396 -0.029 25969 9499 1 15 . 1 1 24 24 PHE C C 24 177.410 177.410 177.932 -0.522 25969 9500 1 15 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.584 -0.236 25969 9501 1 15 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.053 -1.147 25969 9502 1 15 . 1 1 24 24 PHE H H 24 7.658 7.658 7.694 -0.036 25969 9503 1 15 . 1 1 25 25 MET N N 25 120.355 120.355 118.603 1.752 25969 9504 1 15 . 1 1 25 25 MET HA H 25 4.300 4.300 4.647 -0.347 25969 9505 1 15 . 1 1 25 25 MET C C 25 179.371 179.371 178.358 1.013 25969 9506 1 15 . 1 1 25 25 MET CA C 25 55.939 55.939 55.790 0.149 25969 9507 1 15 . 1 1 25 25 MET CB C 25 29.424 29.424 31.255 -1.831 25969 9508 1 15 . 1 1 25 25 MET H H 25 8.358 8.358 9.131 -0.773 25969 9509 1 15 . 1 1 26 26 GLU N N 26 120.164 120.164 120.945 -0.781 25969 9510 1 15 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.349 -0.011 25969 9511 1 15 . 1 1 26 26 GLU C C 26 179.934 179.934 179.809 0.125 25969 9512 1 15 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.605 0.449 25969 9513 1 15 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.569 -0.085 25969 9514 1 15 . 1 1 26 26 GLU H H 26 8.441 8.441 8.492 -0.051 25969 9515 1 15 . 1 1 27 27 GLN N N 27 121.309 121.309 118.486 2.823 25969 9516 1 15 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.279 -0.147 25969 9517 1 15 . 1 1 27 27 GLN C C 27 178.307 178.307 178.202 0.105 25969 9518 1 15 . 1 1 27 27 GLN CA C 27 58.610 58.610 57.751 0.860 25969 9519 1 15 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.731 -0.643 25969 9520 1 15 . 1 1 27 27 GLN H H 27 8.001 8.001 8.343 -0.342 25969 9521 1 15 . 1 1 28 28 PHE N N 28 124.569 124.569 122.283 2.286 25969 9522 1 15 . 1 1 28 28 PHE HA H 28 3.814 3.814 4.061 -0.247 25969 9523 1 15 . 1 1 28 28 PHE C C 28 177.717 177.717 177.515 0.202 25969 9524 1 15 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.604 0.588 25969 9525 1 15 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.017 0.326 25969 9526 1 15 . 1 1 28 28 PHE H H 28 8.760 8.760 8.380 0.380 25969 9527 1 15 . 1 1 29 29 TYR N N 29 121.726 121.726 119.684 2.042 25969 9528 1 15 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.226 -0.431 25969 9529 1 15 . 1 1 29 29 TYR C C 29 179.079 179.079 176.735 2.344 25969 9530 1 15 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.010 -0.062 25969 9531 1 15 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.713 -0.006 25969 9532 1 15 . 1 1 29 29 TYR H H 29 8.956 8.956 8.600 0.356 25969 9533 1 15 . 1 1 30 30 ALA N N 30 121.142 121.142 120.138 1.004 25969 9534 1 15 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.105 -0.057 25969 9535 1 15 . 1 1 30 30 ALA C C 30 174.781 174.781 178.508 -3.727 25969 9536 1 15 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.182 0.688 25969 9537 1 15 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.285 -0.416 25969 9538 1 15 . 1 1 30 30 ALA H H 30 8.063 8.063 7.728 0.335 25969 9539 1 15 . 1 1 31 31 LYS N N 31 114.745 114.745 115.785 -1.040 25969 9540 1 15 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.229 -0.041 25969 9541 1 15 . 1 1 31 31 LYS C C 31 177.744 177.744 177.264 0.480 25969 9542 1 15 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.520 -0.112 25969 9543 1 15 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.409 -0.234 25969 9544 1 15 . 1 1 31 31 LYS H H 31 7.172 7.172 7.982 -0.810 25969 9545 1 15 . 1 1 32 32 LYS N N 32 117.388 117.388 117.235 0.153 25969 9546 1 15 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.250 -0.137 25969 9547 1 15 . 1 1 32 32 LYS C C 32 177.747 177.747 176.739 1.008 25969 9548 1 15 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.265 -0.460 25969 9549 1 15 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.379 -0.481 25969 9550 1 15 . 1 1 32 32 LYS H H 32 8.154 8.154 7.736 0.418 25969 9551 1 15 . 1 1 33 33 GLY N N 33 109.017 109.017 106.281 2.736 25969 9552 1 15 . 1 1 33 33 GLY C C 33 171.798 171.798 173.493 -1.695 25969 9553 1 15 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.852 -0.202 25969 9554 1 15 . 1 1 33 33 GLY H H 33 8.945 8.945 8.339 0.606 25969 9555 1 15 . 1 1 34 34 SER N N 34 110.165 110.165 114.329 -4.164 25969 9556 1 15 . 1 1 34 34 SER HA H 34 4.136 4.136 5.137 -1.001 25969 9557 1 15 . 1 1 34 34 SER C C 34 172.862 172.862 173.021 -0.159 25969 9558 1 15 . 1 1 34 34 SER CA C 34 56.673 56.673 57.709 -1.036 25969 9559 1 15 . 1 1 34 34 SER CB C 34 64.621 64.621 64.968 -0.347 25969 9560 1 15 . 1 1 34 34 SER H H 34 6.756 6.756 7.640 -0.884 25969 9561 1 15 . 1 1 35 35 PHE N N 35 121.132 121.132 119.305 1.827 25969 9562 1 15 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.843 0.271 25969 9563 1 15 . 1 1 35 35 PHE C C 35 172.888 172.888 175.634 -2.746 25969 9564 1 15 . 1 1 35 35 PHE CA C 35 59.260 59.260 58.419 0.841 25969 9565 1 15 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.529 -0.041 25969 9566 1 15 . 1 1 35 35 PHE H H 35 9.403 9.403 8.700 0.703 25969 9567 1 15 . 1 1 36 36 LYS N N 36 114.841 114.841 119.763 -4.922 25969 9568 1 15 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.447 -0.063 25969 9569 1 15 . 1 1 36 36 LYS C C 36 177.118 177.118 177.008 0.110 25969 9570 1 15 . 1 1 36 36 LYS CA C 36 56.272 56.272 57.312 -1.040 25969 9571 1 15 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.537 -0.440 25969 9572 1 15 . 1 1 36 36 LYS H H 36 8.536 8.536 8.194 0.342 25969 9573 1 15 . 1 1 37 37 LEU N N 37 124.789 124.789 117.332 7.457 25969 9574 1 15 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.825 -0.375 25969 9575 1 15 . 1 1 37 37 LEU C C 37 177.535 177.535 176.739 0.796 25969 9576 1 15 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.053 2.689 25969 9577 1 15 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.968 1.283 25969 9578 1 15 . 1 1 37 37 LEU H H 37 8.503 8.503 8.436 0.067 25969 9579 1 15 . 1 1 38 38 THR N N 38 108.556 108.556 113.170 -4.614 25969 9580 1 15 . 1 1 38 38 THR HA H 38 4.619 4.619 4.652 -0.033 25969 9581 1 15 . 1 1 38 38 THR C C 38 173.947 173.947 173.019 0.928 25969 9582 1 15 . 1 1 38 38 THR CA C 38 58.944 58.944 60.127 -1.183 25969 9583 1 15 . 1 1 38 38 THR CB C 38 71.818 71.818 71.072 0.746 25969 9584 1 15 . 1 1 38 38 THR H H 38 8.189 8.189 7.594 0.595 25969 9585 1 15 . 1 1 39 39 SER N N 39 110.757 110.757 121.313 -10.556 25969 9586 1 15 . 1 1 39 39 SER HA H 39 4.057 4.057 4.338 -0.281 25969 9587 1 15 . 1 1 39 39 SER C C 39 174.904 174.904 174.708 0.196 25969 9588 1 15 . 1 1 39 39 SER CA C 39 60.938 60.938 59.838 1.100 25969 9589 1 15 . 1 1 39 39 SER CB C 39 63.218 63.218 63.070 0.148 25969 9590 1 15 . 1 1 39 39 SER H H 39 8.590 8.590 8.555 0.035 25969 9591 1 15 . 1 1 40 40 THR N N 40 129.807 129.807 113.196 16.611 25969 9592 1 15 . 1 1 40 40 THR HA H 40 4.453 4.453 3.728 0.725 25969 9593 1 15 . 1 1 40 40 THR C C 40 174.928 174.928 173.139 1.789 25969 9594 1 15 . 1 1 40 40 THR CA C 40 60.351 60.351 63.055 -2.704 25969 9595 1 15 . 1 1 40 40 THR CB C 40 69.910 69.910 67.524 2.386 25969 9596 1 15 . 1 1 40 40 THR H H 40 7.570 7.570 8.293 -0.723 25969 9597 1 15 . 1 1 41 41 LYS N N 41 125.614 125.614 119.633 5.981 25969 9598 1 15 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.598 0.114 25969 9599 1 15 . 1 1 41 41 LYS C C 41 174.907 174.907 174.201 0.706 25969 9600 1 15 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.778 0.960 25969 9601 1 15 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.967 1.075 25969 9602 1 15 . 1 1 41 41 LYS H H 41 7.425 7.425 7.758 -0.333 25969 9603 1 15 . 1 1 42 42 TRP N N 42 124.827 124.827 122.906 1.921 25969 9604 1 15 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.112 -0.010 25969 9605 1 15 . 1 1 42 42 TRP C C 42 173.384 173.384 174.514 -1.130 25969 9606 1 15 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.928 1.474 25969 9607 1 15 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.953 -0.062 25969 9608 1 15 . 1 1 42 42 TRP H H 42 8.590 8.590 8.664 -0.074 25969 9609 1 15 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.472 -0.025 25969 9610 1 15 . 1 1 43 43 PRO C C 43 174.990 174.990 176.102 -1.112 25969 9611 1 15 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.744 -0.193 25969 9612 1 15 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.292 -0.197 25969 9613 1 15 . 1 1 44 44 GLU N N 44 120.080 120.080 122.060 -1.980 25969 9614 1 15 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.133 -0.168 25969 9615 1 15 . 1 1 44 44 GLU C C 44 175.699 175.699 176.410 -0.711 25969 9616 1 15 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.349 -0.143 25969 9617 1 15 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.664 -1.082 25969 9618 1 15 . 1 1 44 44 GLU H H 44 8.134 8.134 8.409 -0.275 25969 9619 1 15 . 1 1 45 45 LEU N N 45 125.972 125.972 123.511 2.461 25969 9620 1 15 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.665 -0.702 25969 9621 1 15 . 1 1 45 45 LEU C C 45 176.242 176.242 175.534 0.708 25969 9622 1 15 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.749 -1.018 25969 9623 1 15 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.584 -0.272 25969 9624 1 15 . 1 1 45 45 LEU H H 45 8.363 8.363 8.126 0.237 25969 9625 1 15 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.189 -0.015 25969 9626 1 15 . 1 1 46 46 PRO C C 46 177.702 177.702 176.165 1.537 25969 9627 1 15 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.512 0.308 25969 9628 1 15 . 1 1 46 46 PRO CB C 46 31.561 31.561 32.151 -0.590 25969 9629 1 15 . 1 1 47 47 VAL N N 47 119.474 119.474 119.399 0.075 25969 9630 1 15 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.872 0.363 25969 9631 1 15 . 1 1 47 47 VAL C C 47 175.178 175.178 175.420 -0.242 25969 9632 1 15 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.451 -0.435 25969 9633 1 15 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.655 -0.507 25969 9634 1 15 . 1 1 47 47 VAL H H 47 7.836 7.836 8.034 -0.198 25969 9635 1 15 . 1 1 48 48 LYS N N 48 124.385 124.385 123.924 0.461 25969 9636 1 15 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.700 -0.391 25969 9637 1 15 . 1 1 48 48 LYS C C 48 176.534 176.534 175.322 1.212 25969 9638 1 15 . 1 1 48 48 LYS CA C 48 57.141 57.141 55.783 1.358 25969 9639 1 15 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.660 0.172 25969 9640 1 15 . 1 1 48 48 LYS H H 48 8.638 8.638 8.357 0.281 25969 9641 1 15 . 1 1 49 49 GLU N N 49 118.262 118.262 117.698 0.564 25969 9642 1 15 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.630 0.601 25969 9643 1 15 . 1 1 49 49 GLU C C 49 174.552 174.552 174.173 0.379 25969 9644 1 15 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.911 -0.640 25969 9645 1 15 . 1 1 49 49 GLU CB C 49 33.297 33.297 32.396 0.901 25969 9646 1 15 . 1 1 49 49 GLU H H 49 7.473 7.473 7.560 -0.087 25969 9647 1 15 . 1 1 50 50 ALA N N 50 124.186 124.186 128.319 -4.133 25969 9648 1 15 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.521 -0.070 25969 9649 1 15 . 1 1 50 50 ALA C C 50 177.890 177.890 176.680 1.210 25969 9650 1 15 . 1 1 50 50 ALA CA C 50 53.133 53.133 53.213 -0.080 25969 9651 1 15 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.472 3.141 25969 9652 1 15 . 1 1 50 50 ALA H H 50 8.902 8.902 8.997 -0.095 25969 9653 1 15 . 1 1 51 51 GLY N N 51 109.041 109.041 104.752 4.289 25969 9654 1 15 . 1 1 51 51 GLY C C 51 173.759 173.759 174.587 -0.828 25969 9655 1 15 . 1 1 51 51 GLY CA C 51 47.657 47.657 45.991 1.666 25969 9656 1 15 . 1 1 51 51 GLY H H 51 9.113 9.113 8.073 1.040 25969 9657 1 15 . 1 1 52 52 GLY N N 52 104.272 104.272 106.981 -2.709 25969 9658 1 15 . 1 1 52 52 GLY C C 52 174.156 174.156 173.095 1.061 25969 9659 1 15 . 1 1 52 52 GLY CA C 52 45.520 45.520 44.693 0.827 25969 9660 1 15 . 1 1 52 52 GLY H H 52 8.873 8.873 8.655 0.218 25969 9661 1 15 . 1 1 53 53 PHE N N 53 120.324 120.324 119.341 0.983 25969 9662 1 15 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.447 -0.290 25969 9663 1 15 . 1 1 53 53 PHE C C 53 175.574 175.574 174.307 1.267 25969 9664 1 15 . 1 1 53 53 PHE CA C 53 56.940 56.940 54.917 2.023 25969 9665 1 15 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.114 -1.735 25969 9666 1 15 . 1 1 53 53 PHE H H 53 8.278 8.278 7.572 0.706 25969 9667 1 15 . 1 1 54 54 CYS N N 54 116.465 116.465 117.841 -1.376 25969 9668 1 15 . 1 1 54 54 CYS HA H 54 5.660 5.660 5.064 0.596 25969 9669 1 15 . 1 1 54 54 CYS C C 54 173.092 173.092 173.347 -0.255 25969 9670 1 15 . 1 1 54 54 CYS CA C 54 54.997 54.997 56.004 -1.007 25969 9671 1 15 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.139 15.357 25969 9672 1 15 . 1 1 54 54 CYS H H 54 9.911 9.911 9.247 0.664 25969 9673 1 15 . 1 1 55 55 ILE N N 55 119.910 119.910 123.253 -3.343 25969 9674 1 15 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.336 -0.025 25969 9675 1 15 . 1 1 55 55 ILE C C 55 175.366 175.366 175.953 -0.587 25969 9676 1 15 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.049 0.431 25969 9677 1 15 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.150 -0.451 25969 9678 1 15 . 1 1 55 55 ILE H H 55 7.971 7.971 8.359 -0.388 25969 9679 1 15 . 1 1 56 56 ARG N N 56 122.445 122.445 120.920 1.525 25969 9680 1 15 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.743 -0.122 25969 9681 1 15 . 1 1 56 56 ARG C C 56 174.948 174.948 174.362 0.586 25969 9682 1 15 . 1 1 56 56 ARG CA C 56 53.467 53.467 53.934 -0.467 25969 9683 1 15 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.197 1.213 25969 9684 1 15 . 1 1 56 56 ARG H H 56 8.927 8.927 8.402 0.525 25969 9685 1 15 . 1 1 57 57 MET N N 57 119.875 119.875 120.313 -0.438 25969 9686 1 15 . 1 1 57 57 MET HA H 57 4.574 4.574 4.406 0.168 25969 9687 1 15 . 1 1 57 57 MET C C 57 175.845 175.845 176.046 -0.201 25969 9688 1 15 . 1 1 57 57 MET CA C 57 55.204 55.204 56.300 -1.096 25969 9689 1 15 . 1 1 57 57 MET CB C 57 32.162 32.162 33.935 -1.773 25969 9690 1 15 . 1 1 57 57 MET H H 57 9.022 9.022 8.751 0.271 25969 9691 1 15 . 1 1 58 58 SER N N 58 114.338 114.338 117.072 -2.734 25969 9692 1 15 . 1 1 58 58 SER HA H 58 5.138 5.138 4.398 0.740 25969 9693 1 15 . 1 1 58 58 SER C C 58 175.866 175.866 175.143 0.723 25969 9694 1 15 . 1 1 58 58 SER CA C 58 56.084 56.084 59.869 -3.785 25969 9695 1 15 . 1 1 58 58 SER CB C 58 63.977 63.977 64.159 -0.182 25969 9696 1 15 . 1 1 58 58 SER H H 58 8.559 8.559 8.600 -0.041 25969 9697 1 15 . 1 1 59 59 GLY N N 59 116.880 116.880 108.080 8.800 25969 9698 1 15 . 1 1 59 59 GLY C C 59 172.257 172.257 173.859 -1.602 25969 9699 1 15 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.201 -1.499 25969 9700 1 15 . 1 1 59 59 GLY H H 59 8.919 8.919 8.169 0.750 25969 9701 1 15 . 1 1 60 60 GLN N N 60 121.745 121.745 119.560 2.185 25969 9702 1 15 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.487 -0.096 25969 9703 1 15 . 1 1 60 60 GLN C C 60 177.222 177.222 177.332 -0.110 25969 9704 1 15 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.414 -0.409 25969 9705 1 15 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.865 -1.023 25969 9706 1 15 . 1 1 60 60 GLN H H 60 8.575 8.575 8.424 0.151 25969 9707 1 15 . 1 1 61 61 ALA N N 61 128.305 128.305 127.522 0.783 25969 9708 1 15 . 1 1 61 61 ALA HA H 61 3.399 3.399 4.055 -0.656 25969 9709 1 15 . 1 1 61 61 ALA C C 61 178.704 178.704 179.256 -0.552 25969 9710 1 15 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.781 0.508 25969 9711 1 15 . 1 1 61 61 ALA CB C 61 15.932 15.932 18.029 -2.097 25969 9712 1 15 . 1 1 61 61 ALA H H 61 8.576 8.576 8.467 0.109 25969 9713 1 15 . 1 1 62 62 LYS N N 62 114.337 114.337 118.178 -3.841 25969 9714 1 15 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.236 -0.060 25969 9715 1 15 . 1 1 62 62 LYS C C 62 177.327 177.327 176.983 0.344 25969 9716 1 15 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.314 0.762 25969 9717 1 15 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.587 -0.292 25969 9718 1 15 . 1 1 62 62 LYS H H 62 8.272 8.272 8.106 0.166 25969 9719 1 15 . 1 1 63 63 GLY N N 63 107.059 107.059 109.005 -1.946 25969 9720 1 15 . 1 1 63 63 GLY C C 63 173.759 173.759 172.696 1.063 25969 9721 1 15 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.462 0.323 25969 9722 1 15 . 1 1 63 63 GLY H H 63 7.813 7.813 8.223 -0.410 25969 9723 1 15 . 1 1 64 64 ILE N N 64 122.496 122.496 121.556 0.940 25969 9724 1 15 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.440 0.016 25969 9725 1 15 . 1 1 64 64 ILE C C 64 176.033 176.033 176.328 -0.295 25969 9726 1 15 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.844 0.699 25969 9727 1 15 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.542 -2.570 25969 9728 1 15 . 1 1 64 64 ILE H H 64 7.256 7.256 7.601 -0.345 25969 9729 1 15 . 1 1 65 65 LEU N N 65 128.858 128.858 122.635 6.223 25969 9730 1 15 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.163 0.090 25969 9731 1 15 . 1 1 65 65 LEU C C 65 178.203 178.203 176.009 2.194 25969 9732 1 15 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.166 -0.628 25969 9733 1 15 . 1 1 65 65 LEU CB C 65 42.536 42.536 42.031 0.505 25969 9734 1 15 . 1 1 65 65 LEU H H 65 8.417 8.417 8.455 -0.038 25969 9735 1 15 . 1 1 66 66 GLU N N 66 119.109 119.109 123.680 -4.571 25969 9736 1 15 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.525 -0.284 25969 9737 1 15 . 1 1 66 66 GLU C C 66 177.436 177.436 176.524 0.912 25969 9738 1 15 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.122 1.136 25969 9739 1 15 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.378 -2.279 25969 9740 1 15 . 1 1 66 66 GLU H H 66 8.590 8.590 8.394 0.196 25969 9741 1 15 . 1 1 67 67 GLY N N 67 108.490 108.490 112.307 -3.817 25969 9742 1 15 . 1 1 67 67 GLY C C 67 173.551 173.551 173.833 -0.282 25969 9743 1 15 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.885 0.236 25969 9744 1 15 . 1 1 67 67 GLY H H 67 9.498 9.498 8.881 0.617 25969 9745 1 15 . 1 1 68 68 LYS N N 68 117.773 117.773 117.480 0.293 25969 9746 1 15 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.052 0.744 25969 9747 1 15 . 1 1 68 68 LYS C C 68 175.637 175.637 174.332 1.305 25969 9748 1 15 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.391 -0.122 25969 9749 1 15 . 1 1 68 68 LYS CB C 68 35.702 35.702 34.513 1.189 25969 9750 1 15 . 1 1 68 68 LYS H H 68 7.604 7.604 7.558 0.046 25969 9751 1 15 . 1 1 69 69 PHE N N 69 114.518 114.518 121.860 -7.342 25969 9752 1 15 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.541 -0.069 25969 9753 1 15 . 1 1 69 69 PHE C C 69 172.591 172.591 174.719 -2.128 25969 9754 1 15 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.246 3.832 25969 9755 1 15 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.682 0.695 25969 9756 1 15 . 1 1 69 69 PHE H H 69 8.439 8.439 7.933 0.506 25969 9757 1 15 . 1 1 70 70 THR N N 70 115.260 115.260 117.861 -2.601 25969 9758 1 15 . 1 1 70 70 THR HA H 70 4.602 4.602 4.798 -0.196 25969 9759 1 15 . 1 1 70 70 THR C C 70 172.508 172.508 172.668 -0.160 25969 9760 1 15 . 1 1 70 70 THR CA C 70 62.484 62.484 61.727 0.757 25969 9761 1 15 . 1 1 70 70 THR CB C 70 71.367 71.367 71.958 -0.591 25969 9762 1 15 . 1 1 70 70 THR H H 70 8.474 8.474 8.537 -0.063 25969 9763 1 15 . 1 1 71 71 LEU N N 71 128.144 128.144 122.070 6.074 25969 9764 1 15 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.742 -0.234 25969 9765 1 15 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.417 0.518 25969 9766 1 15 . 1 1 71 71 LEU CB C 71 46.855 46.855 46.154 0.701 25969 9767 1 15 . 1 1 71 71 LEU H H 71 9.284 9.284 8.050 1.234 25969 9768 1 15 . 1 1 72 72 LYS N N 72 122.603 122.603 120.255 2.348 25969 9769 1 15 . 1 1 72 72 LYS HA H 72 5.388 5.388 5.055 0.333 25969 9770 1 15 . 1 1 72 72 LYS C C 72 171.972 171.972 174.321 -2.349 25969 9771 1 15 . 1 1 72 72 LYS CA C 72 54.402 54.402 53.786 0.616 25969 9772 1 15 . 1 1 72 72 LYS CB C 72 38.592 38.592 36.298 2.294 25969 9773 1 15 . 1 1 72 72 LYS H H 72 9.123 9.123 7.807 1.316 25969 9774 1 15 . 1 1 73 73 ALA N N 73 128.927 128.927 127.347 1.580 25969 9775 1 15 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.520 0.331 25969 9776 1 15 . 1 1 73 73 ALA C C 73 175.324 175.324 175.521 -0.197 25969 9777 1 15 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.710 -0.584 25969 9778 1 15 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.717 -1.241 25969 9779 1 15 . 1 1 73 73 ALA H H 73 9.178 9.178 8.877 0.301 25969 9780 1 15 . 1 1 74 74 VAL N N 74 123.425 123.425 120.866 2.559 25969 9781 1 15 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.009 0.130 25969 9782 1 15 . 1 1 74 74 VAL C C 74 173.425 173.425 174.259 -0.834 25969 9783 1 15 . 1 1 74 74 VAL CA C 74 60.850 60.850 59.925 0.925 25969 9784 1 15 . 1 1 74 74 VAL CB C 74 35.768 35.768 36.292 -0.524 25969 9785 1 15 . 1 1 74 74 VAL H H 74 8.727 8.727 8.838 -0.111 25969 9786 1 15 . 1 1 75 75 ALA N N 75 130.762 130.762 127.792 2.970 25969 9787 1 15 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.603 0.055 25969 9788 1 15 . 1 1 75 75 ALA C C 75 177.327 177.327 178.792 -1.465 25969 9789 1 15 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.191 1.009 25969 9790 1 15 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.884 0.722 25969 9791 1 15 . 1 1 75 75 ALA H H 75 9.164 9.164 7.544 1.620 25969 9792 1 15 . 1 1 76 76 LEU N N 76 119.175 119.175 123.918 -4.743 25969 9793 1 15 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.021 -0.227 25969 9794 1 15 . 1 1 76 76 LEU C C 76 178.036 178.036 177.884 0.152 25969 9795 1 15 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.414 0.862 25969 9796 1 15 . 1 1 76 76 LEU CB C 76 41.846 41.846 41.997 -0.151 25969 9797 1 15 . 1 1 76 76 LEU H H 76 8.269 8.269 8.861 -0.592 25969 9798 1 15 . 1 1 77 77 ASP N N 77 115.777 115.777 115.290 0.487 25969 9799 1 15 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.782 0.014 25969 9800 1 15 . 1 1 77 77 ASP C C 77 176.012 176.012 176.832 -0.820 25969 9801 1 15 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.894 -2.163 25969 9802 1 15 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.318 -0.142 25969 9803 1 15 . 1 1 77 77 ASP H H 77 7.715 7.715 8.233 -0.518 25969 9804 1 15 . 1 1 78 78 ARG N N 78 122.846 122.846 119.723 3.123 25969 9805 1 15 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.108 -0.025 25969 9806 1 15 . 1 1 78 78 ARG C C 78 177.869 177.869 176.893 0.976 25969 9807 1 15 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.235 -0.827 25969 9808 1 15 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.090 0.534 25969 9809 1 15 . 1 1 78 78 ARG H H 78 8.408 8.408 7.427 0.981 25969 9810 1 15 . 1 1 79 79 GLU N N 79 118.091 118.091 118.842 -0.751 25969 9811 1 15 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.040 -0.021 25969 9812 1 15 . 1 1 79 79 GLU C C 79 177.930 177.930 177.127 0.803 25969 9813 1 15 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.419 -0.095 25969 9814 1 15 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.205 -0.071 25969 9815 1 15 . 1 1 79 79 GLU H H 79 7.888 7.888 8.313 -0.425 25969 9816 1 15 . 1 1 80 80 ALA N N 80 120.528 120.528 118.725 1.803 25969 9817 1 15 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.424 -0.322 25969 9818 1 15 . 1 1 80 80 ALA C C 80 178.142 178.142 176.567 1.575 25969 9819 1 15 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.861 0.206 25969 9820 1 15 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.649 -1.377 25969 9821 1 15 . 1 1 80 80 ALA H H 80 7.175 7.175 8.024 -0.849 25969 9822 1 15 . 1 1 81 81 GLU N N 81 115.377 115.377 117.253 -1.876 25969 9823 1 15 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.834 -0.072 25969 9824 1 15 . 1 1 81 81 GLU C C 81 171.047 171.047 174.869 -3.822 25969 9825 1 15 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.762 -0.564 25969 9826 1 15 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.268 1.425 25969 9827 1 15 . 1 1 81 81 GLU H H 81 7.457 7.457 7.515 -0.058 25969 9828 1 15 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.157 0.540 25969 9829 1 15 . 1 1 82 82 PRO C C 82 177.636 177.636 176.833 0.803 25969 9830 1 15 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.713 -1.122 25969 9831 1 15 . 1 1 82 82 PRO CB C 82 32.832 32.832 32.004 0.828 25969 9832 1 15 . 1 1 83 83 ARG N N 83 118.488 118.488 117.476 1.012 25969 9833 1 15 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.505 0.069 25969 9834 1 15 . 1 1 83 83 ARG C C 83 176.870 176.870 175.688 1.182 25969 9835 1 15 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.257 -0.213 25969 9836 1 15 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.559 0.617 25969 9837 1 15 . 1 1 83 83 ARG H H 83 8.554 8.554 8.136 0.418 25969 9838 1 15 . 1 1 84 84 VAL N N 84 111.376 111.376 119.849 -8.473 25969 9839 1 15 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.089 -0.062 25969 9840 1 15 . 1 1 84 84 VAL C C 84 174.302 174.302 174.489 -0.187 25969 9841 1 15 . 1 1 84 84 VAL CA C 84 58.543 58.543 60.472 -1.929 25969 9842 1 15 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.896 -0.206 25969 9843 1 15 . 1 1 84 84 VAL H H 84 8.304 8.304 8.400 -0.096 25969 9844 1 15 . 1 1 85 85 LEU N N 85 122.000 122.000 121.659 0.341 25969 9845 1 15 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.177 0.151 25969 9846 1 15 . 1 1 85 85 LEU C C 85 175.491 175.491 174.217 1.274 25969 9847 1 15 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.282 -0.416 25969 9848 1 15 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.990 0.132 25969 9849 1 15 . 1 1 85 85 LEU H H 85 8.095 8.095 8.793 -0.698 25969 9850 1 15 . 1 1 86 86 ARG N N 86 119.409 119.409 121.433 -2.024 25969 9851 1 15 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.276 0.194 25969 9852 1 15 . 1 1 86 86 ARG C C 86 174.928 174.928 173.365 1.563 25969 9853 1 15 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.856 -0.654 25969 9854 1 15 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.233 1.401 25969 9855 1 15 . 1 1 86 86 ARG H H 86 8.851 8.851 8.191 0.660 25969 9856 1 15 . 1 1 87 87 LEU N N 87 122.550 122.550 123.835 -1.285 25969 9857 1 15 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.069 0.005 25969 9858 1 15 . 1 1 87 87 LEU C C 87 174.406 174.406 174.266 0.140 25969 9859 1 15 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.887 1.117 25969 9860 1 15 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.429 1.695 25969 9861 1 15 . 1 1 87 87 LEU H H 87 8.798 8.798 8.112 0.686 25969 9862 1 15 . 1 1 88 88 ASN N N 88 125.347 125.347 123.452 1.895 25969 9863 1 15 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.374 0.049 25969 9864 1 15 . 1 1 88 88 ASN C C 88 176.576 176.576 176.855 -0.279 25969 9865 1 15 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.224 -0.360 25969 9866 1 15 . 1 1 88 88 ASN CB C 88 40.577 40.577 39.923 0.654 25969 9867 1 15 . 1 1 88 88 ASN H H 88 7.376 7.376 8.237 -0.861 25969 9868 1 15 . 1 1 89 89 GLU N N 89 114.953 114.953 118.757 -3.804 25969 9869 1 15 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.301 -0.905 25969 9870 1 15 . 1 1 89 89 GLU C C 89 176.684 176.684 177.125 -0.441 25969 9871 1 15 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.799 -0.259 25969 9872 1 15 . 1 1 89 89 GLU CB C 89 27.870 27.870 29.076 -1.206 25969 9873 1 15 . 1 1 89 89 GLU H H 89 7.586 7.586 8.393 -0.807 25969 9874 1 15 . 1 1 90 90 SER N N 90 117.110 117.110 113.613 3.497 25969 9875 1 15 . 1 1 90 90 SER HA H 90 4.442 4.442 4.391 0.051 25969 9876 1 15 . 1 1 90 90 SER C C 90 174.051 174.051 174.165 -0.114 25969 9877 1 15 . 1 1 90 90 SER CA C 90 58.895 58.895 58.154 0.741 25969 9878 1 15 . 1 1 90 90 SER CB C 90 63.886 63.886 63.302 0.584 25969 9879 1 15 . 1 1 90 90 SER H H 90 7.385 7.385 7.667 -0.282 25969 9880 1 15 . 1 1 91 91 LEU N N 91 116.559 116.559 117.710 -1.151 25969 9881 1 15 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.014 -0.317 25969 9882 1 15 . 1 1 91 91 LEU C C 91 175.825 175.825 175.771 0.054 25969 9883 1 15 . 1 1 91 91 LEU CA C 91 56.042 56.042 55.912 0.130 25969 9884 1 15 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.114 -1.409 25969 9885 1 15 . 1 1 91 91 LEU H H 91 8.704 8.704 7.869 0.835 25969 9886 1 15 . 1 1 92 92 THR N N 92 115.529 115.529 115.982 -0.453 25969 9887 1 15 . 1 1 92 92 THR HA H 92 4.254 4.254 4.408 -0.154 25969 9888 1 15 . 1 1 92 92 THR C C 92 173.425 173.425 173.014 0.411 25969 9889 1 15 . 1 1 92 92 THR CA C 92 62.617 62.617 63.082 -0.465 25969 9890 1 15 . 1 1 92 92 THR CB C 92 69.096 69.096 69.752 -0.656 25969 9891 1 15 . 1 1 92 92 THR H H 92 7.704 7.704 8.472 -0.768 25969 9892 1 15 . 1 1 93 93 ALA N N 93 130.459 130.459 130.575 -0.116 25969 9893 1 15 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.456 0.231 25969 9894 1 15 . 1 1 93 93 ALA C C 93 177.201 177.201 175.431 1.770 25969 9895 1 15 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.308 0.954 25969 9896 1 15 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.279 -0.469 25969 9897 1 15 . 1 1 93 93 ALA H H 93 9.002 9.002 8.481 0.521 25969 9898 1 15 . 1 1 94 94 VAL N N 94 117.872 117.872 120.789 -2.917 25969 9899 1 15 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.869 0.035 25969 9900 1 15 . 1 1 94 94 VAL C C 94 173.613 173.613 173.598 0.015 25969 9901 1 15 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.924 -1.245 25969 9902 1 15 . 1 1 94 94 VAL CB C 94 36.036 36.036 35.385 0.652 25969 9903 1 15 . 1 1 94 94 VAL H H 94 8.833 8.833 8.322 0.511 25969 9904 1 15 . 1 1 95 95 VAL N N 95 121.842 121.842 127.123 -5.281 25969 9905 1 15 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.807 0.446 25969 9906 1 15 . 1 1 95 95 VAL C C 95 174.552 174.552 173.878 0.674 25969 9907 1 15 . 1 1 95 95 VAL CA C 95 57.942 57.942 59.264 -1.322 25969 9908 1 15 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.034 0.866 25969 9909 1 15 . 1 1 95 95 VAL H H 95 9.286 9.286 8.773 0.513 25969 9910 1 15 . 1 1 96 96 CYS N N 96 126.839 126.839 124.327 2.512 25969 9911 1 15 . 1 1 96 96 CYS HA H 96 5.423 5.423 5.010 0.413 25969 9912 1 15 . 1 1 96 96 CYS C C 96 174.135 174.135 175.597 -1.462 25969 9913 1 15 . 1 1 96 96 CYS CA C 96 54.269 54.269 58.131 -3.862 25969 9914 1 15 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.709 15.745 25969 9915 1 15 . 1 1 96 96 CYS H H 96 9.452 9.452 8.939 0.513 25969 9916 1 15 . 1 1 97 97 GLY N N 97 109.718 109.718 108.293 1.425 25969 9917 1 15 . 1 1 97 97 GLY C C 97 172.639 172.639 172.754 -0.115 25969 9918 1 15 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.211 1.177 25969 9919 1 15 . 1 1 97 97 GLY H H 97 8.355 8.355 8.778 -0.423 25969 9920 1 15 . 1 1 98 98 LYS N N 98 114.844 114.844 119.427 -4.583 25969 9921 1 15 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.561 0.183 25969 9922 1 15 . 1 1 98 98 LYS C C 98 174.051 174.051 174.388 -0.337 25969 9923 1 15 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.370 -1.034 25969 9924 1 15 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.503 0.025 25969 9925 1 15 . 1 1 98 98 LYS H H 98 7.632 7.632 7.605 0.027 25969 9926 1 15 . 1 1 99 99 MET N N 99 124.801 124.801 127.193 -2.392 25969 9927 1 15 . 1 1 99 99 MET HA H 99 5.017 5.017 4.695 0.322 25969 9928 1 15 . 1 1 99 99 MET C C 99 176.337 176.337 174.324 2.013 25969 9929 1 15 . 1 1 99 99 MET CA C 99 54.803 54.803 55.239 -0.436 25969 9930 1 15 . 1 1 99 99 MET CB C 99 34.646 34.646 33.402 1.244 25969 9931 1 15 . 1 1 99 99 MET H H 99 8.759 8.759 8.674 0.085 25969 9932 1 15 . 1 1 100 100 LYS N N 100 126.252 126.252 124.067 2.185 25969 9933 1 15 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.376 -0.000 25969 9934 1 15 . 1 1 100 100 LYS C C 100 177.222 177.222 177.362 -0.140 25969 9935 1 15 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.173 -0.718 25969 9936 1 15 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.207 -0.778 25969 9937 1 15 . 1 1 100 100 LYS H H 100 8.602 8.602 8.049 0.553 25969 9938 1 15 . 1 1 101 101 GLY N N 101 108.944 108.944 106.756 2.188 25969 9939 1 15 . 1 1 101 101 GLY C C 101 173.613 173.613 174.210 -0.597 25969 9940 1 15 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.488 0.097 25969 9941 1 15 . 1 1 101 101 GLY H H 101 8.385 8.385 7.587 0.798 25969 9942 1 15 . 1 1 102 102 LYS N N 102 118.594 118.594 120.080 -1.486 25969 9943 1 15 . 1 1 102 102 LYS HA H 102 4.414 4.414 3.890 0.524 25969 9944 1 15 . 1 1 102 102 LYS C C 102 176.867 176.867 176.901 -0.034 25969 9945 1 15 . 1 1 102 102 LYS CA C 102 55.872 55.872 58.038 -2.166 25969 9946 1 15 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.619 1.404 25969 9947 1 15 . 1 1 102 102 LYS H H 102 8.436 8.436 7.826 0.610 25969 9948 1 15 . 1 1 103 103 GLY N N 103 110.581 110.581 108.461 2.120 25969 9949 1 15 . 1 1 103 103 GLY C C 103 171.631 171.631 171.839 -0.208 25969 9950 1 15 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.765 1.155 25969 9951 1 15 . 1 1 103 103 GLY H H 103 8.443 8.443 7.729 0.714 25969 9952 1 15 . 1 1 104 104 SER N N 104 113.710 113.710 115.167 -1.457 25969 9953 1 15 . 1 1 104 104 SER HA H 104 4.697 4.697 4.871 -0.174 25969 9954 1 15 . 1 1 104 104 SER C C 104 174.680 174.680 174.224 0.456 25969 9955 1 15 . 1 1 104 104 SER CA C 104 57.331 57.331 56.654 0.677 25969 9956 1 15 . 1 1 104 104 SER CB C 104 66.178 66.178 67.069 -0.891 25969 9957 1 15 . 1 1 104 104 SER H H 104 8.535 8.535 7.934 0.601 25969 9958 1 15 . 1 1 105 105 CYS N N 105 118.835 118.835 121.118 -2.283 25969 9959 1 15 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.379 0.233 25969 9960 1 15 . 1 1 105 105 CYS C C 105 176.502 176.502 176.095 0.407 25969 9961 1 15 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.201 -3.065 25969 9962 1 15 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.322 13.091 25969 9963 1 15 . 1 1 105 105 CYS H H 105 10.009 10.009 8.842 1.167 25969 9964 1 15 . 1 1 106 106 THR N N 106 107.957 107.957 113.074 -5.117 25969 9965 1 15 . 1 1 106 106 THR HA H 106 4.574 4.574 3.841 0.733 25969 9966 1 15 . 1 1 106 106 THR C C 106 175.178 175.178 173.525 1.653 25969 9967 1 15 . 1 1 106 106 THR CA C 106 61.014 61.014 64.267 -3.253 25969 9968 1 15 . 1 1 106 106 THR CB C 106 68.495 68.495 67.764 0.731 25969 9969 1 15 . 1 1 106 106 THR H H 106 8.030 8.030 8.887 -0.857 25969 9970 1 15 . 1 1 107 107 ASP N N 107 120.763 120.763 118.776 1.987 25969 9971 1 15 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.703 -0.383 25969 9972 1 15 . 1 1 107 107 ASP C C 107 177.264 177.264 175.883 1.381 25969 9973 1 15 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.776 0.228 25969 9974 1 15 . 1 1 107 107 ASP CB C 107 40.844 40.844 44.055 -3.211 25969 9975 1 15 . 1 1 107 107 ASP H H 107 7.531 7.531 7.881 -0.350 25969 9976 1 15 . 1 1 108 108 GLY N N 108 108.602 108.602 109.724 -1.122 25969 9977 1 15 . 1 1 108 108 GLY C C 108 174.698 174.698 173.236 1.462 25969 9978 1 15 . 1 1 108 108 GLY CA C 108 45.653 45.653 45.182 0.471 25969 9979 1 15 . 1 1 108 108 GLY H H 108 8.591 8.591 8.003 0.588 25969 9980 1 15 . 1 1 109 109 GLU N N 109 120.191 120.191 119.407 0.784 25969 9981 1 15 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.297 0.155 25969 9982 1 15 . 1 1 109 109 GLU C C 109 176.472 176.472 175.499 0.973 25969 9983 1 15 . 1 1 109 109 GLU CA C 109 55.678 55.678 56.803 -1.125 25969 9984 1 15 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.240 0.644 25969 9985 1 15 . 1 1 109 109 GLU H H 109 8.292 8.292 7.847 0.445 25969 9986 1 15 . 1 1 110 110 GLU N N 110 116.857 116.857 119.383 -2.526 25969 9987 1 15 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.355 -0.139 25969 9988 1 15 . 1 1 110 110 GLU C C 110 176.381 176.381 174.771 1.610 25969 9989 1 15 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.168 0.968 25969 9990 1 15 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.327 -0.054 25969 9991 1 15 . 1 1 110 110 GLU H H 110 9.028 9.028 8.473 0.555 25969 9992 1 15 . 1 1 111 111 ILE N N 111 109.164 109.164 113.330 -4.166 25969 9993 1 15 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.913 -0.078 25969 9994 1 15 . 1 1 111 111 ILE C C 111 176.868 176.868 173.944 2.924 25969 9995 1 15 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.660 -0.518 25969 9996 1 15 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.797 1.317 25969 9997 1 15 . 1 1 111 111 ILE H H 111 7.022 7.022 7.204 -0.182 25969 9998 1 15 . 1 1 112 112 PHE N N 112 118.509 118.509 122.714 -4.205 25969 9999 1 15 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.979 0.133 25969 10000 1 15 . 1 1 112 112 PHE C C 112 174.171 174.171 173.573 0.598 25969 10001 1 15 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.601 2.190 25969 10002 1 15 . 1 1 112 112 PHE CB C 112 42.859 42.859 40.007 2.852 25969 10003 1 15 . 1 1 112 112 PHE H H 112 8.605 8.605 8.002 0.603 25969 10004 1 15 . 1 1 113 113 ARG N N 113 119.908 119.908 124.215 -4.307 25969 10005 1 15 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.424 0.348 25969 10006 1 15 . 1 1 113 113 ARG C C 113 176.930 176.930 175.883 1.047 25969 10007 1 15 . 1 1 113 113 ARG CA C 113 55.404 55.404 53.974 1.430 25969 10008 1 15 . 1 1 113 113 ARG CB C 113 33.431 33.431 31.369 2.062 25969 10009 1 15 . 1 1 113 113 ARG H H 113 9.352 9.352 7.587 1.765 25969 10010 1 15 . 1 1 114 114 GLY N N 114 109.477 109.477 112.511 -3.034 25969 10011 1 15 . 1 1 114 114 GLY C C 114 173.738 173.738 173.942 -0.204 25969 10012 1 15 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.775 -1.324 25969 10013 1 15 . 1 1 114 114 GLY H H 114 8.467 8.467 8.496 -0.029 25969 10014 1 15 . 1 1 115 115 ASN N N 115 119.193 119.193 120.408 -1.215 25969 10015 1 15 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.768 -0.034 25969 10016 1 15 . 1 1 115 115 ASN C C 115 173.530 173.530 173.825 -0.295 25969 10017 1 15 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.960 -0.227 25969 10018 1 15 . 1 1 115 115 ASN CB C 115 39.642 39.642 40.216 -0.574 25969 10019 1 15 . 1 1 115 115 ASN H H 115 8.523 8.523 8.433 0.090 25969 10020 1 15 . 1 1 116 116 ASP N N 116 120.602 120.602 119.448 1.154 25969 10021 1 15 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.110 -0.027 25969 10022 1 15 . 1 1 116 116 ASP C C 116 174.030 174.030 174.704 -0.674 25969 10023 1 15 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.700 1.569 25969 10024 1 15 . 1 1 116 116 ASP CB C 116 43.983 43.983 42.426 1.557 25969 10025 1 15 . 1 1 116 116 ASP H H 116 8.098 8.098 7.877 0.221 25969 10026 1 15 . 1 1 117 117 ALA N N 117 123.146 123.146 120.787 2.359 25969 10027 1 15 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.536 0.180 25969 10028 1 15 . 1 1 117 117 ALA C C 117 175.345 175.345 176.182 -0.837 25969 10029 1 15 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.680 -0.218 25969 10030 1 15 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.311 1.834 25969 10031 1 15 . 1 1 117 117 ALA H H 117 8.979 8.979 8.437 0.542 25969 10032 1 15 . 1 1 118 118 GLU N N 118 115.917 115.917 115.995 -0.078 25969 10033 1 15 . 1 1 118 118 GLU HA H 118 3.895 3.895 4.001 -0.106 25969 10034 1 15 . 1 1 118 118 GLU C C 118 177.181 177.181 174.768 2.413 25969 10035 1 15 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.409 -1.051 25969 10036 1 15 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.356 -0.604 25969 10037 1 15 . 1 1 118 118 GLU H H 118 8.829 8.829 8.740 0.089 25969 10038 1 15 . 1 1 119 119 CYS N N 119 119.476 119.476 116.946 2.530 25969 10039 1 15 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.396 0.074 25969 10040 1 15 . 1 1 119 119 CYS C C 119 174.738 174.738 174.608 0.130 25969 10041 1 15 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.212 -1.048 25969 10042 1 15 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.469 12.989 25969 10043 1 15 . 1 1 119 119 CYS H H 119 8.671 8.671 8.129 0.542 25969 10044 1 15 . 1 1 120 120 ARG N N 120 123.444 123.444 121.724 1.720 25969 10045 1 15 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.026 -0.101 25969 10046 1 15 . 1 1 120 120 ARG C C 120 172.028 172.028 173.200 -1.172 25969 10047 1 15 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.066 0.602 25969 10048 1 15 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.713 0.848 25969 10049 1 15 . 1 1 120 120 ARG H H 120 9.238 9.238 9.224 0.014 25969 10050 1 15 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.710 -0.164 25969 10051 1 15 . 1 1 121 121 PRO C C 121 176.138 176.138 175.464 0.674 25969 10052 1 15 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.127 0.893 25969 10053 1 15 . 1 1 121 121 PRO CB C 121 32.162 32.162 32.014 0.148 25969 10054 1 15 . 1 1 122 122 PHE N N 122 124.392 124.392 124.627 -0.235 25969 10055 1 15 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.815 -0.109 25969 10056 1 15 . 1 1 122 122 PHE C C 122 175.032 175.032 174.309 0.723 25969 10057 1 15 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.124 1.284 25969 10058 1 15 . 1 1 122 122 PHE CB C 122 40.377 40.377 43.147 -2.770 25969 10059 1 15 . 1 1 122 122 PHE H H 122 8.335 8.335 8.769 -0.434 25969 10060 1 15 . 1 1 123 123 THR N N 123 118.912 118.912 114.766 4.146 25969 10061 1 15 . 1 1 123 123 THR HA H 123 4.140 4.140 4.602 -0.462 25969 10062 1 15 . 1 1 123 123 THR C C 123 173.071 173.071 173.528 -0.457 25969 10063 1 15 . 1 1 123 123 THR CA C 123 60.948 60.948 59.491 1.457 25969 10064 1 15 . 1 1 123 123 THR CB C 123 69.430 69.430 70.546 -1.116 25969 10065 1 15 . 1 1 123 123 THR H H 123 8.146 8.146 7.846 0.300 25969 10066 1 16 . 1 1 7 7 ARG N N 7 122.494 122.494 122.490 0.004 25969 10067 1 16 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.325 0.025 25969 10068 1 16 . 1 1 7 7 ARG C C 7 177.037 177.037 175.596 1.441 25969 10069 1 16 . 1 1 7 7 ARG CA C 7 56.724 56.724 56.565 0.159 25969 10070 1 16 . 1 1 7 7 ARG CB C 7 30.881 30.881 29.997 0.884 25969 10071 1 16 . 1 1 7 7 ARG H H 7 8.649 8.649 8.479 0.170 25969 10072 1 16 . 1 1 8 8 SER N N 8 117.535 117.535 116.048 1.487 25969 10073 1 16 . 1 1 8 8 SER HA H 8 4.384 4.384 4.364 0.020 25969 10074 1 16 . 1 1 8 8 SER C C 8 174.613 174.613 174.735 -0.122 25969 10075 1 16 . 1 1 8 8 SER CA C 8 59.412 59.412 58.802 0.610 25969 10076 1 16 . 1 1 8 8 SER CB C 8 63.686 63.686 63.127 0.559 25969 10077 1 16 . 1 1 8 8 SER H H 8 8.522 8.522 7.816 0.706 25969 10078 1 16 . 1 1 9 9 ALA N N 9 126.336 126.336 128.460 -2.124 25969 10079 1 16 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.395 0.070 25969 10080 1 16 . 1 1 9 9 ALA C C 9 178.349 178.349 176.958 1.391 25969 10081 1 16 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.824 0.243 25969 10082 1 16 . 1 1 9 9 ALA CB C 9 18.914 18.914 19.154 -0.240 25969 10083 1 16 . 1 1 9 9 ALA H H 9 8.415 8.415 8.612 -0.197 25969 10084 1 16 . 1 1 10 10 ASN N N 10 121.438 121.438 111.801 9.637 25969 10085 1 16 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.566 0.120 25969 10086 1 16 . 1 1 10 10 ASN C C 10 175.571 175.571 175.588 -0.017 25969 10087 1 16 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.330 -0.083 25969 10088 1 16 . 1 1 10 10 ASN CB C 10 39.125 39.125 36.117 3.007 25969 10089 1 16 . 1 1 10 10 ASN H H 10 9.263 9.263 8.269 0.994 25969 10090 1 16 . 1 1 11 11 LEU N N 11 125.021 125.021 120.118 4.903 25969 10091 1 16 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.746 0.875 25969 10092 1 16 . 1 1 11 11 LEU C C 11 178.567 178.567 177.336 1.231 25969 10093 1 16 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.933 0.953 25969 10094 1 16 . 1 1 11 11 LEU CB C 11 42.260 42.260 40.920 1.340 25969 10095 1 16 . 1 1 11 11 LEU H H 11 8.560 8.560 8.207 0.353 25969 10096 1 16 . 1 1 12 12 ARG N N 12 117.977 117.977 118.837 -0.860 25969 10097 1 16 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.092 0.042 25969 10098 1 16 . 1 1 12 12 ARG C C 12 179.350 179.350 178.788 0.562 25969 10099 1 16 . 1 1 12 12 ARG CA C 12 60.347 60.347 58.541 1.806 25969 10100 1 16 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.471 1.220 25969 10101 1 16 . 1 1 12 12 ARG H H 12 8.114 8.114 8.469 -0.355 25969 10102 1 16 . 1 1 13 13 ALA N N 13 123.280 123.280 121.296 1.984 25969 10103 1 16 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.177 0.036 25969 10104 1 16 . 1 1 13 13 ALA C C 13 180.957 180.957 179.502 1.455 25969 10105 1 16 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.655 -0.253 25969 10106 1 16 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.111 -0.242 25969 10107 1 16 . 1 1 13 13 ALA H H 13 7.871 7.871 8.098 -0.227 25969 10108 1 16 . 1 1 14 14 ALA N N 14 122.111 122.111 121.044 1.067 25969 10109 1 16 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.945 -0.240 25969 10110 1 16 . 1 1 14 14 ALA C C 14 178.578 178.578 179.085 -0.507 25969 10111 1 16 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.259 1.145 25969 10112 1 16 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.771 -0.511 25969 10113 1 16 . 1 1 14 14 ALA H H 14 7.930 7.930 7.253 0.677 25969 10114 1 16 . 1 1 15 15 HIS N N 15 118.502 118.502 117.772 0.730 25969 10115 1 16 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.211 -0.435 25969 10116 1 16 . 1 1 15 15 HIS C C 15 176.304 176.304 177.057 -0.753 25969 10117 1 16 . 1 1 15 15 HIS CA C 15 60.031 60.031 60.028 0.003 25969 10118 1 16 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.662 1.708 25969 10119 1 16 . 1 1 15 15 HIS H H 15 8.422 8.422 8.733 -0.311 25969 10120 1 16 . 1 1 16 16 ALA N N 16 120.116 120.116 120.057 0.059 25969 10121 1 16 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.324 -0.470 25969 10122 1 16 . 1 1 16 16 ALA C C 16 180.644 180.644 178.824 1.820 25969 10123 1 16 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.993 1.478 25969 10124 1 16 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.712 -0.910 25969 10125 1 16 . 1 1 16 16 ALA H H 16 7.980 7.980 7.612 0.368 25969 10126 1 16 . 1 1 17 17 ALA N N 17 121.281 121.281 122.674 -1.393 25969 10127 1 16 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.104 0.072 25969 10128 1 16 . 1 1 17 17 ALA C C 17 180.122 180.122 179.294 0.828 25969 10129 1 16 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.770 -0.301 25969 10130 1 16 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.467 1.673 25969 10131 1 16 . 1 1 17 17 ALA H H 17 7.465 7.465 7.231 0.234 25969 10132 1 16 . 1 1 18 18 LEU N N 18 120.262 120.262 118.403 1.859 25969 10133 1 16 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.063 -0.256 25969 10134 1 16 . 1 1 18 18 LEU C C 18 178.766 178.766 179.366 -0.600 25969 10135 1 16 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.405 1.339 25969 10136 1 16 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.870 0.841 25969 10137 1 16 . 1 1 18 18 LEU H H 18 8.468 8.468 8.507 -0.039 25969 10138 1 16 . 1 1 19 19 LEU N N 19 119.078 119.078 120.808 -1.730 25969 10139 1 16 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.155 -0.293 25969 10140 1 16 . 1 1 19 19 LEU C C 19 179.517 179.517 178.313 1.204 25969 10141 1 16 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.359 -0.350 25969 10142 1 16 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.092 0.353 25969 10143 1 16 . 1 1 19 19 LEU H H 19 8.029 8.029 7.567 0.462 25969 10144 1 16 . 1 1 20 20 GLU N N 20 121.499 121.499 119.614 1.885 25969 10145 1 16 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.002 0.025 25969 10146 1 16 . 1 1 20 20 GLU C C 20 180.289 180.289 179.292 0.997 25969 10147 1 16 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.937 -0.058 25969 10148 1 16 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.399 -0.109 25969 10149 1 16 . 1 1 20 20 GLU H H 20 7.895 7.895 8.519 -0.624 25969 10150 1 16 . 1 1 21 21 ASN N N 21 119.066 119.066 117.969 1.097 25969 10151 1 16 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.739 -0.201 25969 10152 1 16 . 1 1 21 21 ASN C C 21 177.368 177.368 177.388 -0.020 25969 10153 1 16 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.782 0.090 25969 10154 1 16 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.746 1.698 25969 10155 1 16 . 1 1 21 21 ASN H H 21 8.373 8.373 8.273 0.100 25969 10156 1 16 . 1 1 22 22 ALA N N 22 125.274 125.274 123.965 1.309 25969 10157 1 16 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.002 -0.229 25969 10158 1 16 . 1 1 22 22 ALA C C 22 179.402 179.402 179.877 -0.475 25969 10159 1 16 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.279 0.192 25969 10160 1 16 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.562 -0.342 25969 10161 1 16 . 1 1 22 22 ALA H H 22 8.886 8.886 8.456 0.430 25969 10162 1 16 . 1 1 23 23 ARG N N 23 119.945 119.945 116.651 3.294 25969 10163 1 16 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.214 -0.017 25969 10164 1 16 . 1 1 23 23 ARG C C 23 179.726 179.726 178.490 1.236 25969 10165 1 16 . 1 1 23 23 ARG CA C 23 59.812 59.812 58.770 1.042 25969 10166 1 16 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.719 -0.028 25969 10167 1 16 . 1 1 23 23 ARG H H 23 8.168 8.168 8.254 -0.086 25969 10168 1 16 . 1 1 24 24 PHE N N 24 121.222 121.222 120.589 0.633 25969 10169 1 16 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.393 -0.026 25969 10170 1 16 . 1 1 24 24 PHE C C 24 177.410 177.410 177.939 -0.529 25969 10171 1 16 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.655 -0.307 25969 10172 1 16 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.018 -1.112 25969 10173 1 16 . 1 1 24 24 PHE H H 24 7.658 7.658 7.676 -0.018 25969 10174 1 16 . 1 1 25 25 MET N N 25 120.355 120.355 119.016 1.339 25969 10175 1 16 . 1 1 25 25 MET HA H 25 4.300 4.300 4.550 -0.250 25969 10176 1 16 . 1 1 25 25 MET C C 25 179.371 179.371 178.518 0.853 25969 10177 1 16 . 1 1 25 25 MET CA C 25 55.939 55.939 57.063 -1.124 25969 10178 1 16 . 1 1 25 25 MET CB C 25 29.424 29.424 31.206 -1.782 25969 10179 1 16 . 1 1 25 25 MET H H 25 8.358 8.358 9.088 -0.730 25969 10180 1 16 . 1 1 26 26 GLU N N 26 120.164 120.164 119.674 0.490 25969 10181 1 16 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.277 0.061 25969 10182 1 16 . 1 1 26 26 GLU C C 26 179.934 179.934 179.852 0.082 25969 10183 1 16 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.633 0.420 25969 10184 1 16 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.537 -0.053 25969 10185 1 16 . 1 1 26 26 GLU H H 26 8.441 8.441 8.530 -0.089 25969 10186 1 16 . 1 1 27 27 GLN N N 27 121.309 121.309 118.759 2.550 25969 10187 1 16 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.242 -0.110 25969 10188 1 16 . 1 1 27 27 GLN C C 27 178.307 178.307 178.207 0.100 25969 10189 1 16 . 1 1 27 27 GLN CA C 27 58.610 58.610 57.996 0.614 25969 10190 1 16 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.773 -0.686 25969 10191 1 16 . 1 1 27 27 GLN H H 27 8.001 8.001 8.280 -0.279 25969 10192 1 16 . 1 1 28 28 PHE N N 28 124.569 124.569 122.148 2.421 25969 10193 1 16 . 1 1 28 28 PHE HA H 28 3.814 3.814 3.997 -0.183 25969 10194 1 16 . 1 1 28 28 PHE C C 28 177.717 177.717 177.545 0.172 25969 10195 1 16 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.711 0.481 25969 10196 1 16 . 1 1 28 28 PHE CB C 28 39.343 39.343 38.998 0.345 25969 10197 1 16 . 1 1 28 28 PHE H H 28 8.760 8.760 8.530 0.230 25969 10198 1 16 . 1 1 29 29 TYR N N 29 121.726 121.726 119.697 2.029 25969 10199 1 16 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.154 -0.359 25969 10200 1 16 . 1 1 29 29 TYR C C 29 179.079 179.079 176.992 2.087 25969 10201 1 16 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.505 -0.557 25969 10202 1 16 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.579 0.128 25969 10203 1 16 . 1 1 29 29 TYR H H 29 8.956 8.956 8.336 0.620 25969 10204 1 16 . 1 1 30 30 ALA N N 30 121.142 121.142 120.226 0.916 25969 10205 1 16 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.108 -0.060 25969 10206 1 16 . 1 1 30 30 ALA C C 30 174.781 174.781 178.542 -3.761 25969 10207 1 16 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.261 0.609 25969 10208 1 16 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.307 -0.438 25969 10209 1 16 . 1 1 30 30 ALA H H 30 8.063 8.063 7.733 0.330 25969 10210 1 16 . 1 1 31 31 LYS N N 31 114.745 114.745 115.506 -0.761 25969 10211 1 16 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.210 -0.022 25969 10212 1 16 . 1 1 31 31 LYS C C 31 177.744 177.744 177.216 0.528 25969 10213 1 16 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.485 -0.077 25969 10214 1 16 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.390 -0.215 25969 10215 1 16 . 1 1 31 31 LYS H H 31 7.172 7.172 7.936 -0.764 25969 10216 1 16 . 1 1 32 32 LYS N N 32 117.388 117.388 117.079 0.309 25969 10217 1 16 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.260 -0.147 25969 10218 1 16 . 1 1 32 32 LYS C C 32 177.747 177.747 176.671 1.076 25969 10219 1 16 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.207 -0.402 25969 10220 1 16 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.543 -0.645 25969 10221 1 16 . 1 1 32 32 LYS H H 32 8.154 8.154 7.733 0.421 25969 10222 1 16 . 1 1 33 33 GLY N N 33 109.017 109.017 106.066 2.951 25969 10223 1 16 . 1 1 33 33 GLY C C 33 171.798 171.798 173.453 -1.655 25969 10224 1 16 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.641 0.010 25969 10225 1 16 . 1 1 33 33 GLY H H 33 8.945 8.945 8.173 0.772 25969 10226 1 16 . 1 1 34 34 SER N N 34 110.165 110.165 114.774 -4.609 25969 10227 1 16 . 1 1 34 34 SER HA H 34 4.136 4.136 5.276 -1.140 25969 10228 1 16 . 1 1 34 34 SER C C 34 172.862 172.862 173.815 -0.953 25969 10229 1 16 . 1 1 34 34 SER CA C 34 56.673 56.673 58.111 -1.438 25969 10230 1 16 . 1 1 34 34 SER CB C 34 64.621 64.621 66.484 -1.863 25969 10231 1 16 . 1 1 34 34 SER H H 34 6.756 6.756 7.757 -1.001 25969 10232 1 16 . 1 1 35 35 PHE N N 35 121.132 121.132 123.149 -2.017 25969 10233 1 16 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.741 0.373 25969 10234 1 16 . 1 1 35 35 PHE C C 35 172.888 172.888 175.940 -3.052 25969 10235 1 16 . 1 1 35 35 PHE CA C 35 59.260 59.260 59.790 -0.530 25969 10236 1 16 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.051 0.437 25969 10237 1 16 . 1 1 35 35 PHE H H 35 9.403 9.403 9.116 0.287 25969 10238 1 16 . 1 1 36 36 LYS N N 36 114.841 114.841 120.316 -5.475 25969 10239 1 16 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.309 0.075 25969 10240 1 16 . 1 1 36 36 LYS C C 36 177.118 177.118 177.038 0.080 25969 10241 1 16 . 1 1 36 36 LYS CA C 36 56.272 56.272 57.065 -0.793 25969 10242 1 16 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.533 -0.436 25969 10243 1 16 . 1 1 36 36 LYS H H 36 8.536 8.536 8.211 0.325 25969 10244 1 16 . 1 1 37 37 LEU N N 37 124.789 124.789 118.278 6.511 25969 10245 1 16 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.740 -0.290 25969 10246 1 16 . 1 1 37 37 LEU C C 37 177.535 177.535 176.987 0.548 25969 10247 1 16 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.528 2.214 25969 10248 1 16 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.205 2.046 25969 10249 1 16 . 1 1 37 37 LEU H H 37 8.503 8.503 8.388 0.115 25969 10250 1 16 . 1 1 38 38 THR N N 38 108.556 108.556 112.098 -3.542 25969 10251 1 16 . 1 1 38 38 THR HA H 38 4.619 4.619 4.505 0.114 25969 10252 1 16 . 1 1 38 38 THR C C 38 173.947 173.947 173.257 0.690 25969 10253 1 16 . 1 1 38 38 THR CA C 38 58.944 58.944 60.602 -1.657 25969 10254 1 16 . 1 1 38 38 THR CB C 38 71.818 71.818 70.677 1.141 25969 10255 1 16 . 1 1 38 38 THR H H 38 8.189 8.189 7.382 0.807 25969 10256 1 16 . 1 1 39 39 SER N N 39 110.757 110.757 119.653 -8.896 25969 10257 1 16 . 1 1 39 39 SER HA H 39 4.057 4.057 4.370 -0.313 25969 10258 1 16 . 1 1 39 39 SER C C 39 174.904 174.904 174.965 -0.061 25969 10259 1 16 . 1 1 39 39 SER CA C 39 60.938 60.938 60.042 0.896 25969 10260 1 16 . 1 1 39 39 SER CB C 39 63.218 63.218 63.502 -0.284 25969 10261 1 16 . 1 1 39 39 SER H H 39 8.590 8.590 8.598 -0.008 25969 10262 1 16 . 1 1 40 40 THR N N 40 129.807 129.807 113.400 16.407 25969 10263 1 16 . 1 1 40 40 THR HA H 40 4.453 4.453 3.869 0.584 25969 10264 1 16 . 1 1 40 40 THR C C 40 174.928 174.928 173.268 1.660 25969 10265 1 16 . 1 1 40 40 THR CA C 40 60.351 60.351 63.179 -2.828 25969 10266 1 16 . 1 1 40 40 THR CB C 40 69.910 69.910 67.763 2.147 25969 10267 1 16 . 1 1 40 40 THR H H 40 7.570 7.570 8.285 -0.715 25969 10268 1 16 . 1 1 41 41 LYS N N 41 125.614 125.614 119.569 6.045 25969 10269 1 16 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.607 0.105 25969 10270 1 16 . 1 1 41 41 LYS C C 41 174.907 174.907 174.300 0.607 25969 10271 1 16 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.719 1.019 25969 10272 1 16 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.722 1.320 25969 10273 1 16 . 1 1 41 41 LYS H H 41 7.425 7.425 7.795 -0.370 25969 10274 1 16 . 1 1 42 42 TRP N N 42 124.827 124.827 123.095 1.732 25969 10275 1 16 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.104 -0.002 25969 10276 1 16 . 1 1 42 42 TRP C C 42 173.384 173.384 174.644 -1.260 25969 10277 1 16 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.953 1.449 25969 10278 1 16 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.805 0.086 25969 10279 1 16 . 1 1 42 42 TRP H H 42 8.590 8.590 8.683 -0.093 25969 10280 1 16 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.499 -0.052 25969 10281 1 16 . 1 1 43 43 PRO C C 43 174.990 174.990 176.165 -1.175 25969 10282 1 16 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.722 -0.171 25969 10283 1 16 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.341 -0.246 25969 10284 1 16 . 1 1 44 44 GLU N N 44 120.080 120.080 122.724 -2.644 25969 10285 1 16 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.142 -0.177 25969 10286 1 16 . 1 1 44 44 GLU C C 44 175.699 175.699 176.451 -0.752 25969 10287 1 16 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.657 -0.451 25969 10288 1 16 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.576 -0.994 25969 10289 1 16 . 1 1 44 44 GLU H H 44 8.134 8.134 8.462 -0.328 25969 10290 1 16 . 1 1 45 45 LEU N N 45 125.972 125.972 123.048 2.924 25969 10291 1 16 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.698 -0.735 25969 10292 1 16 . 1 1 45 45 LEU C C 45 176.242 176.242 174.917 1.325 25969 10293 1 16 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.554 -0.823 25969 10294 1 16 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.519 -0.207 25969 10295 1 16 . 1 1 45 45 LEU H H 45 8.363 8.363 8.123 0.240 25969 10296 1 16 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.178 -0.004 25969 10297 1 16 . 1 1 46 46 PRO C C 46 177.702 177.702 175.972 1.730 25969 10298 1 16 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.624 0.195 25969 10299 1 16 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.924 -0.363 25969 10300 1 16 . 1 1 47 47 VAL N N 47 119.474 119.474 117.656 1.818 25969 10301 1 16 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.905 0.330 25969 10302 1 16 . 1 1 47 47 VAL C C 47 175.178 175.178 175.701 -0.523 25969 10303 1 16 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.078 -0.062 25969 10304 1 16 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.964 -0.816 25969 10305 1 16 . 1 1 47 47 VAL H H 47 7.836 7.836 7.901 -0.065 25969 10306 1 16 . 1 1 48 48 LYS N N 48 124.385 124.385 124.428 -0.043 25969 10307 1 16 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.674 -0.365 25969 10308 1 16 . 1 1 48 48 LYS C C 48 176.534 176.534 175.208 1.326 25969 10309 1 16 . 1 1 48 48 LYS CA C 48 57.141 57.141 55.746 1.395 25969 10310 1 16 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.594 0.238 25969 10311 1 16 . 1 1 48 48 LYS H H 48 8.638 8.638 8.433 0.205 25969 10312 1 16 . 1 1 49 49 GLU N N 49 118.262 118.262 117.620 0.642 25969 10313 1 16 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.614 0.617 25969 10314 1 16 . 1 1 49 49 GLU C C 49 174.552 174.552 174.114 0.438 25969 10315 1 16 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.928 -0.658 25969 10316 1 16 . 1 1 49 49 GLU CB C 49 33.297 33.297 32.424 0.873 25969 10317 1 16 . 1 1 49 49 GLU H H 49 7.473 7.473 7.548 -0.075 25969 10318 1 16 . 1 1 50 50 ALA N N 50 124.186 124.186 128.273 -4.087 25969 10319 1 16 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.537 -0.086 25969 10320 1 16 . 1 1 50 50 ALA C C 50 177.890 177.890 176.591 1.299 25969 10321 1 16 . 1 1 50 50 ALA CA C 50 53.133 53.133 53.167 -0.034 25969 10322 1 16 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.385 3.228 25969 10323 1 16 . 1 1 50 50 ALA H H 50 8.902 8.902 8.966 -0.064 25969 10324 1 16 . 1 1 51 51 GLY N N 51 109.041 109.041 104.940 4.101 25969 10325 1 16 . 1 1 51 51 GLY C C 51 173.759 173.759 174.604 -0.845 25969 10326 1 16 . 1 1 51 51 GLY CA C 51 47.657 47.657 45.995 1.662 25969 10327 1 16 . 1 1 51 51 GLY H H 51 9.113 9.113 8.151 0.962 25969 10328 1 16 . 1 1 52 52 GLY N N 52 104.272 104.272 107.124 -2.852 25969 10329 1 16 . 1 1 52 52 GLY C C 52 174.156 174.156 173.099 1.057 25969 10330 1 16 . 1 1 52 52 GLY CA C 52 45.520 45.520 44.661 0.859 25969 10331 1 16 . 1 1 52 52 GLY H H 52 8.873 8.873 8.526 0.347 25969 10332 1 16 . 1 1 53 53 PHE N N 53 120.324 120.324 119.476 0.848 25969 10333 1 16 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.417 -0.260 25969 10334 1 16 . 1 1 53 53 PHE C C 53 175.574 175.574 174.201 1.373 25969 10335 1 16 . 1 1 53 53 PHE CA C 53 56.940 56.940 54.859 2.081 25969 10336 1 16 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.288 -1.909 25969 10337 1 16 . 1 1 53 53 PHE H H 53 8.278 8.278 7.654 0.624 25969 10338 1 16 . 1 1 54 54 CYS N N 54 116.465 116.465 117.819 -1.354 25969 10339 1 16 . 1 1 54 54 CYS HA H 54 5.660 5.660 5.047 0.613 25969 10340 1 16 . 1 1 54 54 CYS C C 54 173.092 173.092 173.305 -0.213 25969 10341 1 16 . 1 1 54 54 CYS CA C 54 54.997 54.997 56.032 -1.035 25969 10342 1 16 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.146 15.350 25969 10343 1 16 . 1 1 54 54 CYS H H 54 9.911 9.911 9.257 0.654 25969 10344 1 16 . 1 1 55 55 ILE N N 55 119.910 119.910 123.235 -3.325 25969 10345 1 16 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.035 0.276 25969 10346 1 16 . 1 1 55 55 ILE C C 55 175.366 175.366 175.852 -0.486 25969 10347 1 16 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.217 0.263 25969 10348 1 16 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.151 -0.452 25969 10349 1 16 . 1 1 55 55 ILE H H 55 7.971 7.971 8.367 -0.396 25969 10350 1 16 . 1 1 56 56 ARG N N 56 122.445 122.445 121.410 1.035 25969 10351 1 16 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.710 -0.089 25969 10352 1 16 . 1 1 56 56 ARG C C 56 174.948 174.948 174.191 0.757 25969 10353 1 16 . 1 1 56 56 ARG CA C 56 53.467 53.467 54.237 -0.770 25969 10354 1 16 . 1 1 56 56 ARG CB C 56 36.410 36.410 34.960 1.450 25969 10355 1 16 . 1 1 56 56 ARG H H 56 8.927 8.927 8.071 0.856 25969 10356 1 16 . 1 1 57 57 MET N N 57 119.875 119.875 120.243 -0.368 25969 10357 1 16 . 1 1 57 57 MET HA H 57 4.574 4.574 4.393 0.181 25969 10358 1 16 . 1 1 57 57 MET C C 57 175.845 175.845 175.994 -0.149 25969 10359 1 16 . 1 1 57 57 MET CA C 57 55.204 55.204 56.227 -1.023 25969 10360 1 16 . 1 1 57 57 MET CB C 57 32.162 32.162 33.903 -1.741 25969 10361 1 16 . 1 1 57 57 MET H H 57 9.022 9.022 8.734 0.288 25969 10362 1 16 . 1 1 58 58 SER N N 58 114.338 114.338 117.800 -3.462 25969 10363 1 16 . 1 1 58 58 SER HA H 58 5.138 5.138 4.336 0.802 25969 10364 1 16 . 1 1 58 58 SER C C 58 175.866 175.866 175.112 0.754 25969 10365 1 16 . 1 1 58 58 SER CA C 58 56.084 56.084 59.443 -3.359 25969 10366 1 16 . 1 1 58 58 SER CB C 58 63.977 63.977 63.916 0.061 25969 10367 1 16 . 1 1 58 58 SER H H 58 8.559 8.559 8.535 0.024 25969 10368 1 16 . 1 1 59 59 GLY N N 59 116.880 116.880 108.481 8.399 25969 10369 1 16 . 1 1 59 59 GLY C C 59 172.257 172.257 173.929 -1.672 25969 10370 1 16 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.082 -1.380 25969 10371 1 16 . 1 1 59 59 GLY H H 59 8.919 8.919 8.166 0.753 25969 10372 1 16 . 1 1 60 60 GLN N N 60 121.745 121.745 119.116 2.629 25969 10373 1 16 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.493 -0.102 25969 10374 1 16 . 1 1 60 60 GLN C C 60 177.222 177.222 176.906 0.316 25969 10375 1 16 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.155 -0.150 25969 10376 1 16 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.381 -0.539 25969 10377 1 16 . 1 1 60 60 GLN H H 60 8.575 8.575 8.318 0.257 25969 10378 1 16 . 1 1 61 61 ALA N N 61 128.305 128.305 124.970 3.335 25969 10379 1 16 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.955 -0.556 25969 10380 1 16 . 1 1 61 61 ALA C C 61 178.704 178.704 179.500 -0.796 25969 10381 1 16 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.793 0.496 25969 10382 1 16 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.744 -1.812 25969 10383 1 16 . 1 1 61 61 ALA H H 61 8.576 8.576 8.208 0.368 25969 10384 1 16 . 1 1 62 62 LYS N N 62 114.337 114.337 118.313 -3.976 25969 10385 1 16 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.229 -0.053 25969 10386 1 16 . 1 1 62 62 LYS C C 62 177.327 177.327 177.196 0.131 25969 10387 1 16 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.536 0.540 25969 10388 1 16 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.509 -0.214 25969 10389 1 16 . 1 1 62 62 LYS H H 62 8.272 8.272 8.055 0.217 25969 10390 1 16 . 1 1 63 63 GLY N N 63 107.059 107.059 109.217 -2.158 25969 10391 1 16 . 1 1 63 63 GLY C C 63 173.759 173.759 173.364 0.395 25969 10392 1 16 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.348 0.437 25969 10393 1 16 . 1 1 63 63 GLY H H 63 7.813 7.813 8.060 -0.247 25969 10394 1 16 . 1 1 64 64 ILE N N 64 122.496 122.496 122.143 0.353 25969 10395 1 16 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.360 0.096 25969 10396 1 16 . 1 1 64 64 ILE C C 64 176.033 176.033 176.400 -0.367 25969 10397 1 16 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.651 0.892 25969 10398 1 16 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.475 -2.503 25969 10399 1 16 . 1 1 64 64 ILE H H 64 7.256 7.256 7.421 -0.165 25969 10400 1 16 . 1 1 65 65 LEU N N 65 128.858 128.858 124.665 4.193 25969 10401 1 16 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.168 0.085 25969 10402 1 16 . 1 1 65 65 LEU C C 65 178.203 178.203 176.008 2.195 25969 10403 1 16 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.414 -0.876 25969 10404 1 16 . 1 1 65 65 LEU CB C 65 42.536 42.536 41.775 0.761 25969 10405 1 16 . 1 1 65 65 LEU H H 65 8.417 8.417 8.604 -0.187 25969 10406 1 16 . 1 1 66 66 GLU N N 66 119.109 119.109 123.301 -4.192 25969 10407 1 16 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.722 -0.481 25969 10408 1 16 . 1 1 66 66 GLU C C 66 177.436 177.436 176.855 0.581 25969 10409 1 16 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.123 1.135 25969 10410 1 16 . 1 1 66 66 GLU CB C 66 29.099 29.099 32.113 -3.014 25969 10411 1 16 . 1 1 66 66 GLU H H 66 8.590 8.590 8.468 0.122 25969 10412 1 16 . 1 1 67 67 GLY N N 67 108.490 108.490 112.107 -3.617 25969 10413 1 16 . 1 1 67 67 GLY C C 67 173.551 173.551 173.341 0.210 25969 10414 1 16 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.636 0.485 25969 10415 1 16 . 1 1 67 67 GLY H H 67 9.498 9.498 8.822 0.676 25969 10416 1 16 . 1 1 68 68 LYS N N 68 117.773 117.773 118.801 -1.028 25969 10417 1 16 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.139 0.657 25969 10418 1 16 . 1 1 68 68 LYS C C 68 175.637 175.637 174.479 1.158 25969 10419 1 16 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.346 -0.077 25969 10420 1 16 . 1 1 68 68 LYS CB C 68 35.702 35.702 34.386 1.316 25969 10421 1 16 . 1 1 68 68 LYS H H 68 7.604 7.604 7.936 -0.332 25969 10422 1 16 . 1 1 69 69 PHE N N 69 114.518 114.518 121.172 -6.654 25969 10423 1 16 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.496 -0.024 25969 10424 1 16 . 1 1 69 69 PHE C C 69 172.591 172.591 174.234 -1.643 25969 10425 1 16 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.806 3.272 25969 10426 1 16 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.801 0.576 25969 10427 1 16 . 1 1 69 69 PHE H H 69 8.439 8.439 8.154 0.285 25969 10428 1 16 . 1 1 70 70 THR N N 70 115.260 115.260 117.600 -2.340 25969 10429 1 16 . 1 1 70 70 THR HA H 70 4.602 4.602 4.768 -0.166 25969 10430 1 16 . 1 1 70 70 THR C C 70 172.508 172.508 172.581 -0.073 25969 10431 1 16 . 1 1 70 70 THR CA C 70 62.484 62.484 61.457 1.027 25969 10432 1 16 . 1 1 70 70 THR CB C 70 71.367 71.367 71.939 -0.572 25969 10433 1 16 . 1 1 70 70 THR H H 70 8.474 8.474 8.393 0.081 25969 10434 1 16 . 1 1 71 71 LEU N N 71 128.144 128.144 123.180 4.964 25969 10435 1 16 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.736 -0.228 25969 10436 1 16 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.564 0.371 25969 10437 1 16 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.859 0.995 25969 10438 1 16 . 1 1 71 71 LEU H H 71 9.284 9.284 8.076 1.208 25969 10439 1 16 . 1 1 72 72 LYS N N 72 122.603 122.603 121.907 0.696 25969 10440 1 16 . 1 1 72 72 LYS HA H 72 5.388 5.388 5.015 0.373 25969 10441 1 16 . 1 1 72 72 LYS C C 72 171.972 171.972 174.809 -2.837 25969 10442 1 16 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.325 0.077 25969 10443 1 16 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.445 3.147 25969 10444 1 16 . 1 1 72 72 LYS H H 72 9.123 9.123 7.935 1.188 25969 10445 1 16 . 1 1 73 73 ALA N N 73 128.927 128.927 128.910 0.017 25969 10446 1 16 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.474 0.377 25969 10447 1 16 . 1 1 73 73 ALA C C 73 175.324 175.324 175.678 -0.354 25969 10448 1 16 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.684 -0.557 25969 10449 1 16 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.334 -0.858 25969 10450 1 16 . 1 1 73 73 ALA H H 73 9.178 9.178 8.973 0.205 25969 10451 1 16 . 1 1 74 74 VAL N N 74 123.425 123.425 120.740 2.685 25969 10452 1 16 . 1 1 74 74 VAL HA H 74 4.139 4.139 3.992 0.147 25969 10453 1 16 . 1 1 74 74 VAL C C 74 173.425 173.425 174.683 -1.258 25969 10454 1 16 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.151 0.699 25969 10455 1 16 . 1 1 74 74 VAL CB C 74 35.768 35.768 35.747 0.021 25969 10456 1 16 . 1 1 74 74 VAL H H 74 8.727 8.727 8.801 -0.074 25969 10457 1 16 . 1 1 75 75 ALA N N 75 130.762 130.762 128.922 1.840 25969 10458 1 16 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.577 0.081 25969 10459 1 16 . 1 1 75 75 ALA C C 75 177.327 177.327 178.907 -1.580 25969 10460 1 16 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.209 0.991 25969 10461 1 16 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.885 0.721 25969 10462 1 16 . 1 1 75 75 ALA H H 75 9.164 9.164 7.441 1.723 25969 10463 1 16 . 1 1 76 76 LEU N N 76 119.175 119.175 123.089 -3.914 25969 10464 1 16 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.062 -0.268 25969 10465 1 16 . 1 1 76 76 LEU C C 76 178.036 178.036 177.875 0.161 25969 10466 1 16 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.259 1.017 25969 10467 1 16 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.093 -0.247 25969 10468 1 16 . 1 1 76 76 LEU H H 76 8.269 8.269 8.898 -0.629 25969 10469 1 16 . 1 1 77 77 ASP N N 77 115.777 115.777 115.505 0.272 25969 10470 1 16 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.773 0.023 25969 10471 1 16 . 1 1 77 77 ASP C C 77 176.012 176.012 176.808 -0.796 25969 10472 1 16 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.931 -2.200 25969 10473 1 16 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.367 -0.191 25969 10474 1 16 . 1 1 77 77 ASP H H 77 7.715 7.715 8.226 -0.511 25969 10475 1 16 . 1 1 78 78 ARG N N 78 122.846 122.846 119.799 3.047 25969 10476 1 16 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.101 -0.018 25969 10477 1 16 . 1 1 78 78 ARG C C 78 177.869 177.869 176.912 0.957 25969 10478 1 16 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.307 -0.899 25969 10479 1 16 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.114 0.510 25969 10480 1 16 . 1 1 78 78 ARG H H 78 8.408 8.408 7.255 1.153 25969 10481 1 16 . 1 1 79 79 GLU N N 79 118.091 118.091 118.532 -0.441 25969 10482 1 16 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.036 -0.017 25969 10483 1 16 . 1 1 79 79 GLU C C 79 177.930 177.930 177.241 0.689 25969 10484 1 16 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.479 -0.155 25969 10485 1 16 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.219 -0.085 25969 10486 1 16 . 1 1 79 79 GLU H H 79 7.888 7.888 8.292 -0.404 25969 10487 1 16 . 1 1 80 80 ALA N N 80 120.528 120.528 118.698 1.830 25969 10488 1 16 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.430 -0.328 25969 10489 1 16 . 1 1 80 80 ALA C C 80 178.142 178.142 176.357 1.785 25969 10490 1 16 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.859 0.208 25969 10491 1 16 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.700 -1.428 25969 10492 1 16 . 1 1 80 80 ALA H H 80 7.175 7.175 8.028 -0.853 25969 10493 1 16 . 1 1 81 81 GLU N N 81 115.377 115.377 117.297 -1.920 25969 10494 1 16 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.862 -0.100 25969 10495 1 16 . 1 1 81 81 GLU C C 81 171.047 171.047 174.969 -3.922 25969 10496 1 16 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.661 -0.463 25969 10497 1 16 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.303 1.390 25969 10498 1 16 . 1 1 81 81 GLU H H 81 7.457 7.457 7.484 -0.027 25969 10499 1 16 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.179 0.518 25969 10500 1 16 . 1 1 82 82 PRO C C 82 177.636 177.636 177.022 0.614 25969 10501 1 16 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.584 -0.993 25969 10502 1 16 . 1 1 82 82 PRO CB C 82 32.832 32.832 32.025 0.807 25969 10503 1 16 . 1 1 83 83 ARG N N 83 118.488 118.488 118.275 0.213 25969 10504 1 16 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.592 -0.018 25969 10505 1 16 . 1 1 83 83 ARG C C 83 176.870 176.870 175.575 1.295 25969 10506 1 16 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.206 -0.162 25969 10507 1 16 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.654 0.522 25969 10508 1 16 . 1 1 83 83 ARG H H 83 8.554 8.554 8.213 0.341 25969 10509 1 16 . 1 1 84 84 VAL N N 84 111.376 111.376 120.757 -9.381 25969 10510 1 16 . 1 1 84 84 VAL HA H 84 5.027 5.027 4.996 0.031 25969 10511 1 16 . 1 1 84 84 VAL C C 84 174.302 174.302 174.546 -0.244 25969 10512 1 16 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.234 -0.691 25969 10513 1 16 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.095 0.595 25969 10514 1 16 . 1 1 84 84 VAL H H 84 8.304 8.304 8.421 -0.117 25969 10515 1 16 . 1 1 85 85 LEU N N 85 122.000 122.000 122.636 -0.636 25969 10516 1 16 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.149 0.179 25969 10517 1 16 . 1 1 85 85 LEU C C 85 175.491 175.491 174.327 1.164 25969 10518 1 16 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.215 -0.349 25969 10519 1 16 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.792 0.330 25969 10520 1 16 . 1 1 85 85 LEU H H 85 8.095 8.095 8.817 -0.722 25969 10521 1 16 . 1 1 86 86 ARG N N 86 119.409 119.409 121.599 -2.190 25969 10522 1 16 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.339 0.131 25969 10523 1 16 . 1 1 86 86 ARG C C 86 174.928 174.928 173.414 1.514 25969 10524 1 16 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.865 -0.663 25969 10525 1 16 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.294 1.341 25969 10526 1 16 . 1 1 86 86 ARG H H 86 8.851 8.851 8.154 0.697 25969 10527 1 16 . 1 1 87 87 LEU N N 87 122.550 122.550 124.085 -1.535 25969 10528 1 16 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.036 0.038 25969 10529 1 16 . 1 1 87 87 LEU C C 87 174.406 174.406 174.285 0.121 25969 10530 1 16 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.863 1.141 25969 10531 1 16 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.423 1.701 25969 10532 1 16 . 1 1 87 87 LEU H H 87 8.798 8.798 8.052 0.746 25969 10533 1 16 . 1 1 88 88 ASN N N 88 125.347 125.347 123.379 1.968 25969 10534 1 16 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.405 0.018 25969 10535 1 16 . 1 1 88 88 ASN C C 88 176.576 176.576 176.882 -0.306 25969 10536 1 16 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.180 -0.317 25969 10537 1 16 . 1 1 88 88 ASN CB C 88 40.577 40.577 39.872 0.705 25969 10538 1 16 . 1 1 88 88 ASN H H 88 7.376 7.376 8.081 -0.705 25969 10539 1 16 . 1 1 89 89 GLU N N 89 114.953 114.953 118.670 -3.717 25969 10540 1 16 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.307 -0.911 25969 10541 1 16 . 1 1 89 89 GLU C C 89 176.684 176.684 177.150 -0.466 25969 10542 1 16 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.719 -0.179 25969 10543 1 16 . 1 1 89 89 GLU CB C 89 27.870 27.870 29.092 -1.222 25969 10544 1 16 . 1 1 89 89 GLU H H 89 7.586 7.586 8.249 -0.663 25969 10545 1 16 . 1 1 90 90 SER N N 90 117.110 117.110 113.870 3.240 25969 10546 1 16 . 1 1 90 90 SER HA H 90 4.442 4.442 4.337 0.105 25969 10547 1 16 . 1 1 90 90 SER C C 90 174.051 174.051 174.961 -0.910 25969 10548 1 16 . 1 1 90 90 SER CA C 90 58.895 58.895 58.154 0.741 25969 10549 1 16 . 1 1 90 90 SER CB C 90 63.886 63.886 63.342 0.544 25969 10550 1 16 . 1 1 90 90 SER H H 90 7.385 7.385 7.653 -0.268 25969 10551 1 16 . 1 1 91 91 LEU N N 91 116.559 116.559 119.532 -2.973 25969 10552 1 16 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.051 -0.354 25969 10553 1 16 . 1 1 91 91 LEU C C 91 175.825 175.825 175.883 -0.058 25969 10554 1 16 . 1 1 91 91 LEU CA C 91 56.042 56.042 56.297 -0.255 25969 10555 1 16 . 1 1 91 91 LEU CB C 91 37.705 37.705 38.874 -1.169 25969 10556 1 16 . 1 1 91 91 LEU H H 91 8.704 8.704 7.835 0.869 25969 10557 1 16 . 1 1 92 92 THR N N 92 115.529 115.529 115.895 -0.366 25969 10558 1 16 . 1 1 92 92 THR HA H 92 4.254 4.254 4.445 -0.191 25969 10559 1 16 . 1 1 92 92 THR C C 92 173.425 173.425 173.085 0.340 25969 10560 1 16 . 1 1 92 92 THR CA C 92 62.617 62.617 62.581 0.036 25969 10561 1 16 . 1 1 92 92 THR CB C 92 69.096 69.096 69.548 -0.452 25969 10562 1 16 . 1 1 92 92 THR H H 92 7.704 7.704 8.358 -0.654 25969 10563 1 16 . 1 1 93 93 ALA N N 93 130.459 130.459 131.259 -0.800 25969 10564 1 16 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.392 0.295 25969 10565 1 16 . 1 1 93 93 ALA C C 93 177.201 177.201 175.477 1.724 25969 10566 1 16 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.566 0.696 25969 10567 1 16 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.067 -0.258 25969 10568 1 16 . 1 1 93 93 ALA H H 93 9.002 9.002 8.411 0.591 25969 10569 1 16 . 1 1 94 94 VAL N N 94 117.872 117.872 120.223 -2.351 25969 10570 1 16 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.766 0.138 25969 10571 1 16 . 1 1 94 94 VAL C C 94 173.613 173.613 173.868 -0.255 25969 10572 1 16 . 1 1 94 94 VAL CA C 94 59.679 59.679 61.346 -1.667 25969 10573 1 16 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.238 -0.202 25969 10574 1 16 . 1 1 94 94 VAL H H 94 8.833 8.833 8.295 0.538 25969 10575 1 16 . 1 1 95 95 VAL N N 95 121.842 121.842 127.915 -6.073 25969 10576 1 16 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.927 0.326 25969 10577 1 16 . 1 1 95 95 VAL C C 95 174.552 174.552 173.634 0.918 25969 10578 1 16 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.402 -0.460 25969 10579 1 16 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.191 0.709 25969 10580 1 16 . 1 1 95 95 VAL H H 95 9.286 9.286 8.893 0.393 25969 10581 1 16 . 1 1 96 96 CYS N N 96 126.839 126.839 124.554 2.285 25969 10582 1 16 . 1 1 96 96 CYS HA H 96 5.423 5.423 4.965 0.458 25969 10583 1 16 . 1 1 96 96 CYS C C 96 174.135 174.135 175.525 -1.390 25969 10584 1 16 . 1 1 96 96 CYS CA C 96 54.269 54.269 58.014 -3.745 25969 10585 1 16 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.764 15.691 25969 10586 1 16 . 1 1 96 96 CYS H H 96 9.452 9.452 9.011 0.441 25969 10587 1 16 . 1 1 97 97 GLY N N 97 109.718 109.718 108.549 1.169 25969 10588 1 16 . 1 1 97 97 GLY C C 97 172.639 172.639 172.777 -0.138 25969 10589 1 16 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.177 1.211 25969 10590 1 16 . 1 1 97 97 GLY H H 97 8.355 8.355 8.778 -0.423 25969 10591 1 16 . 1 1 98 98 LYS N N 98 114.844 114.844 119.213 -4.369 25969 10592 1 16 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.561 0.183 25969 10593 1 16 . 1 1 98 98 LYS C C 98 174.051 174.051 174.373 -0.322 25969 10594 1 16 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.254 -0.918 25969 10595 1 16 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.360 0.168 25969 10596 1 16 . 1 1 98 98 LYS H H 98 7.632 7.632 7.805 -0.173 25969 10597 1 16 . 1 1 99 99 MET N N 99 124.801 124.801 127.106 -2.305 25969 10598 1 16 . 1 1 99 99 MET HA H 99 5.017 5.017 4.721 0.296 25969 10599 1 16 . 1 1 99 99 MET C C 99 176.337 176.337 174.495 1.842 25969 10600 1 16 . 1 1 99 99 MET CA C 99 54.803 54.803 55.258 -0.455 25969 10601 1 16 . 1 1 99 99 MET CB C 99 34.646 34.646 33.496 1.150 25969 10602 1 16 . 1 1 99 99 MET H H 99 8.759 8.759 8.672 0.087 25969 10603 1 16 . 1 1 100 100 LYS N N 100 126.252 126.252 125.176 1.076 25969 10604 1 16 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.345 0.031 25969 10605 1 16 . 1 1 100 100 LYS C C 100 177.222 177.222 177.166 0.056 25969 10606 1 16 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.329 -0.874 25969 10607 1 16 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.130 -0.701 25969 10608 1 16 . 1 1 100 100 LYS H H 100 8.602 8.602 8.046 0.556 25969 10609 1 16 . 1 1 101 101 GLY N N 101 108.944 108.944 106.382 2.562 25969 10610 1 16 . 1 1 101 101 GLY C C 101 173.613 173.613 174.296 -0.683 25969 10611 1 16 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.530 0.055 25969 10612 1 16 . 1 1 101 101 GLY H H 101 8.385 8.385 7.686 0.699 25969 10613 1 16 . 1 1 102 102 LYS N N 102 118.594 118.594 120.405 -1.811 25969 10614 1 16 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.082 0.332 25969 10615 1 16 . 1 1 102 102 LYS C C 102 176.867 176.867 176.357 0.510 25969 10616 1 16 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.768 -1.896 25969 10617 1 16 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.513 1.510 25969 10618 1 16 . 1 1 102 102 LYS H H 102 8.436 8.436 8.336 0.100 25969 10619 1 16 . 1 1 103 103 GLY N N 103 110.581 110.581 108.511 2.070 25969 10620 1 16 . 1 1 103 103 GLY C C 103 171.631 171.631 172.988 -1.357 25969 10621 1 16 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.004 1.916 25969 10622 1 16 . 1 1 103 103 GLY H H 103 8.443 8.443 8.016 0.427 25969 10623 1 16 . 1 1 104 104 SER N N 104 113.710 113.710 115.242 -1.532 25969 10624 1 16 . 1 1 104 104 SER HA H 104 4.697 4.697 4.775 -0.078 25969 10625 1 16 . 1 1 104 104 SER C C 104 174.680 174.680 173.997 0.683 25969 10626 1 16 . 1 1 104 104 SER CA C 104 57.331 57.331 57.038 0.293 25969 10627 1 16 . 1 1 104 104 SER CB C 104 66.178 66.178 66.572 -0.394 25969 10628 1 16 . 1 1 104 104 SER H H 104 8.535 8.535 7.950 0.585 25969 10629 1 16 . 1 1 105 105 CYS N N 105 118.835 118.835 121.812 -2.977 25969 10630 1 16 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.389 0.223 25969 10631 1 16 . 1 1 105 105 CYS C C 105 176.502 176.502 175.703 0.799 25969 10632 1 16 . 1 1 105 105 CYS CA C 105 57.136 57.136 59.792 -2.656 25969 10633 1 16 . 1 1 105 105 CYS CB C 105 40.412 40.412 26.508 13.904 25969 10634 1 16 . 1 1 105 105 CYS H H 105 10.009 10.009 8.978 1.031 25969 10635 1 16 . 1 1 106 106 THR N N 106 107.957 107.957 110.026 -2.069 25969 10636 1 16 . 1 1 106 106 THR HA H 106 4.574 4.574 3.961 0.613 25969 10637 1 16 . 1 1 106 106 THR C C 106 175.178 175.178 173.344 1.834 25969 10638 1 16 . 1 1 106 106 THR CA C 106 61.014 61.014 64.775 -3.761 25969 10639 1 16 . 1 1 106 106 THR CB C 106 68.495 68.495 67.689 0.806 25969 10640 1 16 . 1 1 106 106 THR H H 106 8.030 8.030 8.494 -0.464 25969 10641 1 16 . 1 1 107 107 ASP N N 107 120.763 120.763 122.400 -1.637 25969 10642 1 16 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.815 -0.495 25969 10643 1 16 . 1 1 107 107 ASP C C 107 177.264 177.264 176.055 1.209 25969 10644 1 16 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.467 0.537 25969 10645 1 16 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.168 -2.324 25969 10646 1 16 . 1 1 107 107 ASP H H 107 7.531 7.531 7.656 -0.125 25969 10647 1 16 . 1 1 108 108 GLY N N 108 108.602 108.602 109.236 -0.634 25969 10648 1 16 . 1 1 108 108 GLY C C 108 174.698 174.698 173.594 1.104 25969 10649 1 16 . 1 1 108 108 GLY CA C 108 45.653 45.653 44.888 0.765 25969 10650 1 16 . 1 1 108 108 GLY H H 108 8.591 8.591 7.559 1.032 25969 10651 1 16 . 1 1 109 109 GLU N N 109 120.191 120.191 121.940 -1.749 25969 10652 1 16 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.233 0.219 25969 10653 1 16 . 1 1 109 109 GLU C C 109 176.472 176.472 176.399 0.073 25969 10654 1 16 . 1 1 109 109 GLU CA C 109 55.678 55.678 57.645 -1.967 25969 10655 1 16 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.545 0.339 25969 10656 1 16 . 1 1 109 109 GLU H H 109 8.292 8.292 8.198 0.094 25969 10657 1 16 . 1 1 110 110 GLU N N 110 116.857 116.857 120.588 -3.731 25969 10658 1 16 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.295 -0.079 25969 10659 1 16 . 1 1 110 110 GLU C C 110 176.381 176.381 174.960 1.421 25969 10660 1 16 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.777 0.359 25969 10661 1 16 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.407 -0.134 25969 10662 1 16 . 1 1 110 110 GLU H H 110 9.028 9.028 8.670 0.358 25969 10663 1 16 . 1 1 111 111 ILE N N 111 109.164 109.164 114.470 -5.306 25969 10664 1 16 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.983 -0.148 25969 10665 1 16 . 1 1 111 111 ILE C C 111 176.868 176.868 174.460 2.408 25969 10666 1 16 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.332 -0.190 25969 10667 1 16 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.498 1.617 25969 10668 1 16 . 1 1 111 111 ILE H H 111 7.022 7.022 7.286 -0.264 25969 10669 1 16 . 1 1 112 112 PHE N N 112 118.509 118.509 123.638 -5.129 25969 10670 1 16 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.848 0.265 25969 10671 1 16 . 1 1 112 112 PHE C C 112 174.171 174.171 173.448 0.723 25969 10672 1 16 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.768 2.023 25969 10673 1 16 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.303 3.556 25969 10674 1 16 . 1 1 112 112 PHE H H 112 8.605 8.605 8.055 0.550 25969 10675 1 16 . 1 1 113 113 ARG N N 113 119.908 119.908 122.284 -2.376 25969 10676 1 16 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.422 0.350 25969 10677 1 16 . 1 1 113 113 ARG C C 113 176.930 176.930 174.521 2.409 25969 10678 1 16 . 1 1 113 113 ARG CA C 113 55.404 55.404 54.982 0.422 25969 10679 1 16 . 1 1 113 113 ARG CB C 113 33.431 33.431 32.360 1.071 25969 10680 1 16 . 1 1 113 113 ARG H H 113 9.352 9.352 7.594 1.758 25969 10681 1 16 . 1 1 114 114 GLY N N 114 109.477 109.477 113.125 -3.648 25969 10682 1 16 . 1 1 114 114 GLY C C 114 173.738 173.738 172.437 1.301 25969 10683 1 16 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.166 -0.715 25969 10684 1 16 . 1 1 114 114 GLY H H 114 8.467 8.467 8.468 -0.001 25969 10685 1 16 . 1 1 115 115 ASN N N 115 119.193 119.193 121.497 -2.304 25969 10686 1 16 . 1 1 115 115 ASN HA H 115 4.734 4.734 5.042 -0.308 25969 10687 1 16 . 1 1 115 115 ASN C C 115 173.530 173.530 173.832 -0.302 25969 10688 1 16 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.393 0.340 25969 10689 1 16 . 1 1 115 115 ASN CB C 115 39.642 39.642 41.051 -1.409 25969 10690 1 16 . 1 1 115 115 ASN H H 115 8.523 8.523 8.574 -0.051 25969 10691 1 16 . 1 1 116 116 ASP N N 116 120.602 120.602 123.248 -2.646 25969 10692 1 16 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.001 0.082 25969 10693 1 16 . 1 1 116 116 ASP C C 116 174.030 174.030 174.687 -0.657 25969 10694 1 16 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.941 1.328 25969 10695 1 16 . 1 1 116 116 ASP CB C 116 43.983 43.983 42.482 1.501 25969 10696 1 16 . 1 1 116 116 ASP H H 116 8.098 8.098 8.561 -0.463 25969 10697 1 16 . 1 1 117 117 ALA N N 117 123.146 123.146 122.026 1.120 25969 10698 1 16 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.515 0.201 25969 10699 1 16 . 1 1 117 117 ALA C C 117 175.345 175.345 176.051 -0.706 25969 10700 1 16 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.813 -0.351 25969 10701 1 16 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.715 1.430 25969 10702 1 16 . 1 1 117 117 ALA H H 117 8.979 8.979 8.305 0.674 25969 10703 1 16 . 1 1 118 118 GLU N N 118 115.917 115.917 115.918 -0.001 25969 10704 1 16 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.999 -0.104 25969 10705 1 16 . 1 1 118 118 GLU C C 118 177.181 177.181 174.791 2.390 25969 10706 1 16 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.453 -1.095 25969 10707 1 16 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.350 -0.598 25969 10708 1 16 . 1 1 118 118 GLU H H 118 8.829 8.829 8.749 0.080 25969 10709 1 16 . 1 1 119 119 CYS N N 119 119.476 119.476 116.733 2.743 25969 10710 1 16 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.426 0.044 25969 10711 1 16 . 1 1 119 119 CYS C C 119 174.738 174.738 174.634 0.104 25969 10712 1 16 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.188 -1.024 25969 10713 1 16 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.231 13.227 25969 10714 1 16 . 1 1 119 119 CYS H H 119 8.671 8.671 8.174 0.497 25969 10715 1 16 . 1 1 120 120 ARG N N 120 123.444 123.444 120.967 2.477 25969 10716 1 16 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.028 -0.103 25969 10717 1 16 . 1 1 120 120 ARG C C 120 172.028 172.028 173.137 -1.109 25969 10718 1 16 . 1 1 120 120 ARG CA C 120 53.668 53.668 52.882 0.786 25969 10719 1 16 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.218 1.343 25969 10720 1 16 . 1 1 120 120 ARG H H 120 9.238 9.238 9.203 0.035 25969 10721 1 16 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.750 -0.204 25969 10722 1 16 . 1 1 121 121 PRO C C 121 176.138 176.138 175.554 0.584 25969 10723 1 16 . 1 1 121 121 PRO CA C 121 64.020 64.020 62.898 1.122 25969 10724 1 16 . 1 1 121 121 PRO CB C 121 32.162 32.162 32.010 0.152 25969 10725 1 16 . 1 1 122 122 PHE N N 122 124.392 124.392 125.601 -1.209 25969 10726 1 16 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.776 -0.070 25969 10727 1 16 . 1 1 122 122 PHE C C 122 175.032 175.032 174.267 0.765 25969 10728 1 16 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.211 1.197 25969 10729 1 16 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.865 -2.488 25969 10730 1 16 . 1 1 122 122 PHE H H 122 8.335 8.335 8.942 -0.607 25969 10731 1 16 . 1 1 123 123 THR N N 123 118.912 118.912 115.200 3.712 25969 10732 1 16 . 1 1 123 123 THR HA H 123 4.140 4.140 4.566 -0.426 25969 10733 1 16 . 1 1 123 123 THR C C 123 173.071 173.071 173.433 -0.362 25969 10734 1 16 . 1 1 123 123 THR CA C 123 60.948 60.948 59.921 1.027 25969 10735 1 16 . 1 1 123 123 THR CB C 123 69.430 69.430 70.388 -0.958 25969 10736 1 16 . 1 1 123 123 THR H H 123 8.146 8.146 7.876 0.270 25969 10737 1 17 . 1 1 7 7 ARG N N 7 122.494 122.494 121.223 1.271 25969 10738 1 17 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.522 -0.172 25969 10739 1 17 . 1 1 7 7 ARG C C 7 177.037 177.037 174.641 2.396 25969 10740 1 17 . 1 1 7 7 ARG CA C 7 56.724 56.724 56.599 0.125 25969 10741 1 17 . 1 1 7 7 ARG CB C 7 30.881 30.881 30.994 -0.113 25969 10742 1 17 . 1 1 7 7 ARG H H 7 8.649 8.649 8.512 0.137 25969 10743 1 17 . 1 1 8 8 SER N N 8 117.535 117.535 117.710 -0.175 25969 10744 1 17 . 1 1 8 8 SER HA H 8 4.384 4.384 4.663 -0.279 25969 10745 1 17 . 1 1 8 8 SER C C 8 174.613 174.613 173.469 1.144 25969 10746 1 17 . 1 1 8 8 SER CA C 8 59.412 59.412 57.381 2.031 25969 10747 1 17 . 1 1 8 8 SER CB C 8 63.686 63.686 63.965 -0.279 25969 10748 1 17 . 1 1 8 8 SER H H 8 8.522 8.522 8.290 0.232 25969 10749 1 17 . 1 1 9 9 ALA N N 9 126.336 126.336 127.238 -0.902 25969 10750 1 17 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.462 0.003 25969 10751 1 17 . 1 1 9 9 ALA C C 9 178.349 178.349 178.931 -0.582 25969 10752 1 17 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.613 0.454 25969 10753 1 17 . 1 1 9 9 ALA CB C 9 18.914 18.914 19.705 -0.791 25969 10754 1 17 . 1 1 9 9 ALA H H 9 8.415 8.415 8.380 0.035 25969 10755 1 17 . 1 1 10 10 ASN N N 10 121.438 121.438 118.757 2.681 25969 10756 1 17 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.741 -0.055 25969 10757 1 17 . 1 1 10 10 ASN C C 10 175.571 175.571 175.599 -0.028 25969 10758 1 17 . 1 1 10 10 ASN CA C 10 53.247 53.247 52.661 0.586 25969 10759 1 17 . 1 1 10 10 ASN CB C 10 39.125 39.125 36.693 2.432 25969 10760 1 17 . 1 1 10 10 ASN H H 10 9.263 9.263 9.210 0.053 25969 10761 1 17 . 1 1 11 11 LEU N N 11 125.021 125.021 119.683 5.338 25969 10762 1 17 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.796 0.825 25969 10763 1 17 . 1 1 11 11 LEU C C 11 178.567 178.567 178.136 0.431 25969 10764 1 17 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.138 1.748 25969 10765 1 17 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.321 0.939 25969 10766 1 17 . 1 1 11 11 LEU H H 11 8.560 8.560 7.968 0.592 25969 10767 1 17 . 1 1 12 12 ARG N N 12 117.977 117.977 119.432 -1.455 25969 10768 1 17 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.062 0.072 25969 10769 1 17 . 1 1 12 12 ARG C C 12 179.350 179.350 178.712 0.638 25969 10770 1 17 . 1 1 12 12 ARG CA C 12 60.347 60.347 59.030 1.317 25969 10771 1 17 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.870 0.821 25969 10772 1 17 . 1 1 12 12 ARG H H 12 8.114 8.114 7.978 0.136 25969 10773 1 17 . 1 1 13 13 ALA N N 13 123.280 123.280 121.070 2.210 25969 10774 1 17 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.150 0.063 25969 10775 1 17 . 1 1 13 13 ALA C C 13 180.957 180.957 179.627 1.330 25969 10776 1 17 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.816 -0.414 25969 10777 1 17 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.061 -0.192 25969 10778 1 17 . 1 1 13 13 ALA H H 13 7.871 7.871 8.002 -0.131 25969 10779 1 17 . 1 1 14 14 ALA N N 14 122.111 122.111 120.658 1.453 25969 10780 1 17 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.888 -0.183 25969 10781 1 17 . 1 1 14 14 ALA C C 14 178.578 178.578 178.848 -0.270 25969 10782 1 17 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.547 0.857 25969 10783 1 17 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.870 -0.610 25969 10784 1 17 . 1 1 14 14 ALA H H 14 7.930 7.930 7.287 0.643 25969 10785 1 17 . 1 1 15 15 HIS N N 15 118.502 118.502 117.398 1.104 25969 10786 1 17 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.229 -0.453 25969 10787 1 17 . 1 1 15 15 HIS C C 15 176.304 176.304 176.986 -0.682 25969 10788 1 17 . 1 1 15 15 HIS CA C 15 60.031 60.031 59.956 0.075 25969 10789 1 17 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.641 1.729 25969 10790 1 17 . 1 1 15 15 HIS H H 15 8.422 8.422 8.668 -0.246 25969 10791 1 17 . 1 1 16 16 ALA N N 16 120.116 120.116 119.807 0.309 25969 10792 1 17 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.316 -0.462 25969 10793 1 17 . 1 1 16 16 ALA C C 16 180.644 180.644 178.761 1.883 25969 10794 1 17 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.799 1.672 25969 10795 1 17 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.817 -1.015 25969 10796 1 17 . 1 1 16 16 ALA H H 16 7.980 7.980 7.480 0.500 25969 10797 1 17 . 1 1 17 17 ALA N N 17 121.281 121.281 123.443 -2.162 25969 10798 1 17 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.055 0.121 25969 10799 1 17 . 1 1 17 17 ALA C C 17 180.122 180.122 179.158 0.964 25969 10800 1 17 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.898 -0.429 25969 10801 1 17 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.542 1.598 25969 10802 1 17 . 1 1 17 17 ALA H H 17 7.465 7.465 7.574 -0.109 25969 10803 1 17 . 1 1 18 18 LEU N N 18 120.262 120.262 118.223 2.039 25969 10804 1 17 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.164 -0.357 25969 10805 1 17 . 1 1 18 18 LEU C C 18 178.766 178.766 179.547 -0.781 25969 10806 1 17 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.374 1.370 25969 10807 1 17 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.920 0.791 25969 10808 1 17 . 1 1 18 18 LEU H H 18 8.468 8.468 8.506 -0.038 25969 10809 1 17 . 1 1 19 19 LEU N N 19 119.078 119.078 121.114 -2.036 25969 10810 1 17 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.204 -0.342 25969 10811 1 17 . 1 1 19 19 LEU C C 19 179.517 179.517 178.403 1.114 25969 10812 1 17 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.542 -0.533 25969 10813 1 17 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.079 0.366 25969 10814 1 17 . 1 1 19 19 LEU H H 19 8.029 8.029 7.587 0.442 25969 10815 1 17 . 1 1 20 20 GLU N N 20 121.499 121.499 119.945 1.554 25969 10816 1 17 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.022 0.005 25969 10817 1 17 . 1 1 20 20 GLU C C 20 180.289 180.289 179.393 0.896 25969 10818 1 17 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.572 0.308 25969 10819 1 17 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.356 -0.066 25969 10820 1 17 . 1 1 20 20 GLU H H 20 7.895 7.895 8.595 -0.700 25969 10821 1 17 . 1 1 21 21 ASN N N 21 119.066 119.066 117.296 1.770 25969 10822 1 17 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.583 -0.045 25969 10823 1 17 . 1 1 21 21 ASN C C 21 177.368 177.368 176.990 0.378 25969 10824 1 17 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.152 0.720 25969 10825 1 17 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.578 1.866 25969 10826 1 17 . 1 1 21 21 ASN H H 21 8.373 8.373 8.490 -0.117 25969 10827 1 17 . 1 1 22 22 ALA N N 22 125.274 125.274 123.854 1.420 25969 10828 1 17 . 1 1 22 22 ALA HA H 22 3.773 3.773 3.930 -0.157 25969 10829 1 17 . 1 1 22 22 ALA C C 22 179.402 179.402 179.550 -0.148 25969 10830 1 17 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.238 0.233 25969 10831 1 17 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.822 -0.602 25969 10832 1 17 . 1 1 22 22 ALA H H 22 8.886 8.886 8.246 0.640 25969 10833 1 17 . 1 1 23 23 ARG N N 23 119.945 119.945 117.748 2.197 25969 10834 1 17 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.063 0.134 25969 10835 1 17 . 1 1 23 23 ARG C C 23 179.726 179.726 178.356 1.370 25969 10836 1 17 . 1 1 23 23 ARG CA C 23 59.812 59.812 59.137 0.675 25969 10837 1 17 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.701 -0.010 25969 10838 1 17 . 1 1 23 23 ARG H H 23 8.168 8.168 8.514 -0.346 25969 10839 1 17 . 1 1 24 24 PHE N N 24 121.222 121.222 120.375 0.847 25969 10840 1 17 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.685 -0.318 25969 10841 1 17 . 1 1 24 24 PHE C C 24 177.410 177.410 177.926 -0.516 25969 10842 1 17 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.355 -0.007 25969 10843 1 17 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.064 -1.158 25969 10844 1 17 . 1 1 24 24 PHE H H 24 7.658 7.658 7.670 -0.012 25969 10845 1 17 . 1 1 25 25 MET N N 25 120.355 120.355 117.724 2.631 25969 10846 1 17 . 1 1 25 25 MET HA H 25 4.300 4.300 4.393 -0.093 25969 10847 1 17 . 1 1 25 25 MET C C 25 179.371 179.371 178.743 0.628 25969 10848 1 17 . 1 1 25 25 MET CA C 25 55.939 55.939 57.966 -2.027 25969 10849 1 17 . 1 1 25 25 MET CB C 25 29.424 29.424 31.041 -1.617 25969 10850 1 17 . 1 1 25 25 MET H H 25 8.358 8.358 8.538 -0.180 25969 10851 1 17 . 1 1 26 26 GLU N N 26 120.164 120.164 119.157 1.007 25969 10852 1 17 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.249 0.089 25969 10853 1 17 . 1 1 26 26 GLU C C 26 179.934 179.934 179.795 0.139 25969 10854 1 17 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.444 0.609 25969 10855 1 17 . 1 1 26 26 GLU CB C 26 29.484 29.484 28.856 0.628 25969 10856 1 17 . 1 1 26 26 GLU H H 26 8.441 8.441 8.439 0.002 25969 10857 1 17 . 1 1 27 27 GLN N N 27 121.309 121.309 119.547 1.762 25969 10858 1 17 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.187 -0.055 25969 10859 1 17 . 1 1 27 27 GLN C C 27 178.307 178.307 178.308 -0.001 25969 10860 1 17 . 1 1 27 27 GLN CA C 27 58.610 58.610 58.586 0.025 25969 10861 1 17 . 1 1 27 27 GLN CB C 27 28.088 28.088 29.002 -0.914 25969 10862 1 17 . 1 1 27 27 GLN H H 27 8.001 8.001 8.082 -0.081 25969 10863 1 17 . 1 1 28 28 PHE N N 28 124.569 124.569 121.645 2.924 25969 10864 1 17 . 1 1 28 28 PHE HA H 28 3.814 3.814 4.151 -0.337 25969 10865 1 17 . 1 1 28 28 PHE C C 28 177.717 177.717 177.523 0.194 25969 10866 1 17 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.274 0.918 25969 10867 1 17 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.400 -0.057 25969 10868 1 17 . 1 1 28 28 PHE H H 28 8.760 8.760 8.638 0.122 25969 10869 1 17 . 1 1 29 29 TYR N N 29 121.726 121.726 119.390 2.336 25969 10870 1 17 . 1 1 29 29 TYR HA H 29 3.795 3.795 3.850 -0.055 25969 10871 1 17 . 1 1 29 29 TYR C C 29 179.079 179.079 176.825 2.254 25969 10872 1 17 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.104 -0.156 25969 10873 1 17 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.352 0.355 25969 10874 1 17 . 1 1 29 29 TYR H H 29 8.956 8.956 8.711 0.245 25969 10875 1 17 . 1 1 30 30 ALA N N 30 121.142 121.142 119.826 1.316 25969 10876 1 17 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.106 -0.058 25969 10877 1 17 . 1 1 30 30 ALA C C 30 174.781 174.781 178.406 -3.625 25969 10878 1 17 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.105 0.765 25969 10879 1 17 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.305 -0.436 25969 10880 1 17 . 1 1 30 30 ALA H H 30 8.063 8.063 7.693 0.370 25969 10881 1 17 . 1 1 31 31 LYS N N 31 114.745 114.745 115.507 -0.762 25969 10882 1 17 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.250 -0.062 25969 10883 1 17 . 1 1 31 31 LYS C C 31 177.744 177.744 176.991 0.753 25969 10884 1 17 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.474 -0.066 25969 10885 1 17 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.490 -0.315 25969 10886 1 17 . 1 1 31 31 LYS H H 31 7.172 7.172 7.842 -0.670 25969 10887 1 17 . 1 1 32 32 LYS N N 32 117.388 117.388 117.114 0.274 25969 10888 1 17 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.231 -0.118 25969 10889 1 17 . 1 1 32 32 LYS C C 32 177.747 177.747 176.310 1.437 25969 10890 1 17 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.096 -0.291 25969 10891 1 17 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.610 -0.712 25969 10892 1 17 . 1 1 32 32 LYS H H 32 8.154 8.154 7.746 0.408 25969 10893 1 17 . 1 1 33 33 GLY N N 33 109.017 109.017 105.931 3.086 25969 10894 1 17 . 1 1 33 33 GLY C C 33 171.798 171.798 173.079 -1.281 25969 10895 1 17 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.594 0.056 25969 10896 1 17 . 1 1 33 33 GLY H H 33 8.945 8.945 7.977 0.968 25969 10897 1 17 . 1 1 34 34 SER N N 34 110.165 110.165 114.558 -4.393 25969 10898 1 17 . 1 1 34 34 SER HA H 34 4.136 4.136 4.665 -0.529 25969 10899 1 17 . 1 1 34 34 SER C C 34 172.862 172.862 173.072 -0.210 25969 10900 1 17 . 1 1 34 34 SER CA C 34 56.673 56.673 57.469 -0.796 25969 10901 1 17 . 1 1 34 34 SER CB C 34 64.621 64.621 66.293 -1.672 25969 10902 1 17 . 1 1 34 34 SER H H 34 6.756 6.756 7.477 -0.721 25969 10903 1 17 . 1 1 35 35 PHE N N 35 121.132 121.132 121.271 -0.139 25969 10904 1 17 . 1 1 35 35 PHE HA H 35 5.114 5.114 5.033 0.081 25969 10905 1 17 . 1 1 35 35 PHE C C 35 172.888 172.888 175.830 -2.942 25969 10906 1 17 . 1 1 35 35 PHE CA C 35 59.260 59.260 59.874 -0.614 25969 10907 1 17 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.192 0.296 25969 10908 1 17 . 1 1 35 35 PHE H H 35 9.403 9.403 8.598 0.805 25969 10909 1 17 . 1 1 36 36 LYS N N 36 114.841 114.841 119.342 -4.501 25969 10910 1 17 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.685 -0.301 25969 10911 1 17 . 1 1 36 36 LYS C C 36 177.118 177.118 176.120 0.998 25969 10912 1 17 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.416 -0.144 25969 10913 1 17 . 1 1 36 36 LYS CB C 36 33.097 33.097 34.084 -0.987 25969 10914 1 17 . 1 1 36 36 LYS H H 36 8.536 8.536 8.155 0.381 25969 10915 1 17 . 1 1 37 37 LEU N N 37 124.789 124.789 118.172 6.617 25969 10916 1 17 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.775 -0.325 25969 10917 1 17 . 1 1 37 37 LEU C C 37 177.535 177.535 176.998 0.537 25969 10918 1 17 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.252 2.490 25969 10919 1 17 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.743 1.508 25969 10920 1 17 . 1 1 37 37 LEU H H 37 8.503 8.503 8.439 0.064 25969 10921 1 17 . 1 1 38 38 THR N N 38 108.556 108.556 113.174 -4.618 25969 10922 1 17 . 1 1 38 38 THR HA H 38 4.619 4.619 4.610 0.009 25969 10923 1 17 . 1 1 38 38 THR C C 38 173.947 173.947 172.925 1.022 25969 10924 1 17 . 1 1 38 38 THR CA C 38 58.944 58.944 60.440 -1.496 25969 10925 1 17 . 1 1 38 38 THR CB C 38 71.818 71.818 71.000 0.818 25969 10926 1 17 . 1 1 38 38 THR H H 38 8.189 8.189 7.578 0.611 25969 10927 1 17 . 1 1 39 39 SER N N 39 110.757 110.757 116.986 -6.229 25969 10928 1 17 . 1 1 39 39 SER HA H 39 4.057 4.057 4.397 -0.340 25969 10929 1 17 . 1 1 39 39 SER C C 39 174.904 174.904 174.775 0.129 25969 10930 1 17 . 1 1 39 39 SER CA C 39 60.938 60.938 59.242 1.696 25969 10931 1 17 . 1 1 39 39 SER CB C 39 63.218 63.218 63.012 0.206 25969 10932 1 17 . 1 1 39 39 SER H H 39 8.590 8.590 8.356 0.234 25969 10933 1 17 . 1 1 40 40 THR N N 40 129.807 129.807 111.880 17.927 25969 10934 1 17 . 1 1 40 40 THR HA H 40 4.453 4.453 3.684 0.769 25969 10935 1 17 . 1 1 40 40 THR C C 40 174.928 174.928 173.181 1.747 25969 10936 1 17 . 1 1 40 40 THR CA C 40 60.351 60.351 62.708 -2.357 25969 10937 1 17 . 1 1 40 40 THR CB C 40 69.910 69.910 68.179 1.731 25969 10938 1 17 . 1 1 40 40 THR H H 40 7.570 7.570 8.322 -0.752 25969 10939 1 17 . 1 1 41 41 LYS N N 41 125.614 125.614 120.412 5.202 25969 10940 1 17 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.606 0.106 25969 10941 1 17 . 1 1 41 41 LYS C C 41 174.907 174.907 174.647 0.260 25969 10942 1 17 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.936 0.802 25969 10943 1 17 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.395 1.647 25969 10944 1 17 . 1 1 41 41 LYS H H 41 7.425 7.425 7.743 -0.318 25969 10945 1 17 . 1 1 42 42 TRP N N 42 124.827 124.827 123.804 1.023 25969 10946 1 17 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.087 0.015 25969 10947 1 17 . 1 1 42 42 TRP C C 42 173.384 173.384 174.500 -1.116 25969 10948 1 17 . 1 1 42 42 TRP CA C 42 54.402 54.402 53.300 1.102 25969 10949 1 17 . 1 1 42 42 TRP CB C 42 29.891 29.891 30.106 -0.215 25969 10950 1 17 . 1 1 42 42 TRP H H 42 8.590 8.590 8.418 0.172 25969 10951 1 17 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.539 -0.092 25969 10952 1 17 . 1 1 43 43 PRO C C 43 174.990 174.990 176.164 -1.174 25969 10953 1 17 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.856 -0.305 25969 10954 1 17 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.404 -0.309 25969 10955 1 17 . 1 1 44 44 GLU N N 44 120.080 120.080 122.115 -2.035 25969 10956 1 17 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.188 -0.223 25969 10957 1 17 . 1 1 44 44 GLU C C 44 175.699 175.699 176.485 -0.786 25969 10958 1 17 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.120 0.086 25969 10959 1 17 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.667 -1.085 25969 10960 1 17 . 1 1 44 44 GLU H H 44 8.134 8.134 8.295 -0.161 25969 10961 1 17 . 1 1 45 45 LEU N N 45 125.972 125.972 122.820 3.152 25969 10962 1 17 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.701 -0.738 25969 10963 1 17 . 1 1 45 45 LEU C C 45 176.242 176.242 175.090 1.152 25969 10964 1 17 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.355 -0.624 25969 10965 1 17 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.889 -0.577 25969 10966 1 17 . 1 1 45 45 LEU H H 45 8.363 8.363 8.139 0.224 25969 10967 1 17 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.160 0.014 25969 10968 1 17 . 1 1 46 46 PRO C C 46 177.702 177.702 176.077 1.625 25969 10969 1 17 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.613 0.207 25969 10970 1 17 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.894 -0.333 25969 10971 1 17 . 1 1 47 47 VAL N N 47 119.474 119.474 117.900 1.574 25969 10972 1 17 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.843 0.392 25969 10973 1 17 . 1 1 47 47 VAL C C 47 175.178 175.178 175.354 -0.176 25969 10974 1 17 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.959 -0.943 25969 10975 1 17 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.585 -0.437 25969 10976 1 17 . 1 1 47 47 VAL H H 47 7.836 7.836 7.905 -0.069 25969 10977 1 17 . 1 1 48 48 LYS N N 48 124.385 124.385 123.989 0.396 25969 10978 1 17 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.633 -0.324 25969 10979 1 17 . 1 1 48 48 LYS C C 48 176.534 176.534 175.617 0.917 25969 10980 1 17 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.135 1.006 25969 10981 1 17 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.488 0.344 25969 10982 1 17 . 1 1 48 48 LYS H H 48 8.638 8.638 8.364 0.274 25969 10983 1 17 . 1 1 49 49 GLU N N 49 118.262 118.262 117.793 0.469 25969 10984 1 17 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.635 0.596 25969 10985 1 17 . 1 1 49 49 GLU C C 49 174.552 174.552 174.208 0.344 25969 10986 1 17 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.661 -0.390 25969 10987 1 17 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.723 1.575 25969 10988 1 17 . 1 1 49 49 GLU H H 49 7.473 7.473 7.630 -0.157 25969 10989 1 17 . 1 1 50 50 ALA N N 50 124.186 124.186 128.646 -4.460 25969 10990 1 17 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.600 -0.149 25969 10991 1 17 . 1 1 50 50 ALA C C 50 177.890 177.890 176.463 1.427 25969 10992 1 17 . 1 1 50 50 ALA CA C 50 53.133 53.133 52.331 0.802 25969 10993 1 17 . 1 1 50 50 ALA CB C 50 23.613 23.613 19.825 3.788 25969 10994 1 17 . 1 1 50 50 ALA H H 50 8.902 8.902 8.847 0.055 25969 10995 1 17 . 1 1 51 51 GLY N N 51 109.041 109.041 104.268 4.773 25969 10996 1 17 . 1 1 51 51 GLY C C 51 173.759 173.759 174.427 -0.668 25969 10997 1 17 . 1 1 51 51 GLY CA C 51 47.657 47.657 45.577 2.080 25969 10998 1 17 . 1 1 51 51 GLY H H 51 9.113 9.113 8.639 0.474 25969 10999 1 17 . 1 1 52 52 GLY N N 52 104.272 104.272 106.744 -2.472 25969 11000 1 17 . 1 1 52 52 GLY C C 52 174.156 174.156 172.910 1.246 25969 11001 1 17 . 1 1 52 52 GLY CA C 52 45.520 45.520 45.537 -0.017 25969 11002 1 17 . 1 1 52 52 GLY H H 52 8.873 8.873 8.276 0.597 25969 11003 1 17 . 1 1 53 53 PHE N N 53 120.324 120.324 120.069 0.255 25969 11004 1 17 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.704 -0.547 25969 11005 1 17 . 1 1 53 53 PHE C C 53 175.574 175.574 174.333 1.241 25969 11006 1 17 . 1 1 53 53 PHE CA C 53 56.940 56.940 54.772 2.168 25969 11007 1 17 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.122 -1.743 25969 11008 1 17 . 1 1 53 53 PHE H H 53 8.278 8.278 7.641 0.637 25969 11009 1 17 . 1 1 54 54 CYS N N 54 116.465 116.465 117.741 -1.276 25969 11010 1 17 . 1 1 54 54 CYS HA H 54 5.660 5.660 5.086 0.574 25969 11011 1 17 . 1 1 54 54 CYS C C 54 173.092 173.092 173.358 -0.266 25969 11012 1 17 . 1 1 54 54 CYS CA C 54 54.997 54.997 55.929 -0.932 25969 11013 1 17 . 1 1 54 54 CYS CB C 54 44.496 44.496 28.937 15.559 25969 11014 1 17 . 1 1 54 54 CYS H H 54 9.911 9.911 9.258 0.653 25969 11015 1 17 . 1 1 55 55 ILE N N 55 119.910 119.910 123.193 -3.283 25969 11016 1 17 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.195 0.116 25969 11017 1 17 . 1 1 55 55 ILE C C 55 175.366 175.366 175.809 -0.443 25969 11018 1 17 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.108 0.372 25969 11019 1 17 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.280 -0.581 25969 11020 1 17 . 1 1 55 55 ILE H H 55 7.971 7.971 8.414 -0.443 25969 11021 1 17 . 1 1 56 56 ARG N N 56 122.445 122.445 121.001 1.444 25969 11022 1 17 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.732 -0.111 25969 11023 1 17 . 1 1 56 56 ARG C C 56 174.948 174.948 174.312 0.636 25969 11024 1 17 . 1 1 56 56 ARG CA C 56 53.467 53.467 54.016 -0.549 25969 11025 1 17 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.115 1.295 25969 11026 1 17 . 1 1 56 56 ARG H H 56 8.927 8.927 8.125 0.802 25969 11027 1 17 . 1 1 57 57 MET N N 57 119.875 119.875 120.646 -0.771 25969 11028 1 17 . 1 1 57 57 MET HA H 57 4.574 4.574 4.392 0.182 25969 11029 1 17 . 1 1 57 57 MET C C 57 175.845 175.845 176.004 -0.159 25969 11030 1 17 . 1 1 57 57 MET CA C 57 55.204 55.204 56.228 -1.024 25969 11031 1 17 . 1 1 57 57 MET CB C 57 32.162 32.162 33.821 -1.659 25969 11032 1 17 . 1 1 57 57 MET H H 57 9.022 9.022 8.678 0.344 25969 11033 1 17 . 1 1 58 58 SER N N 58 114.338 114.338 116.200 -1.862 25969 11034 1 17 . 1 1 58 58 SER HA H 58 5.138 5.138 4.390 0.748 25969 11035 1 17 . 1 1 58 58 SER C C 58 175.866 175.866 175.133 0.733 25969 11036 1 17 . 1 1 58 58 SER CA C 58 56.084 56.084 60.010 -3.926 25969 11037 1 17 . 1 1 58 58 SER CB C 58 63.977 63.977 64.132 -0.154 25969 11038 1 17 . 1 1 58 58 SER H H 58 8.559 8.559 8.482 0.077 25969 11039 1 17 . 1 1 59 59 GLY N N 59 116.880 116.880 108.280 8.600 25969 11040 1 17 . 1 1 59 59 GLY C C 59 172.257 172.257 173.851 -1.594 25969 11041 1 17 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.143 -1.441 25969 11042 1 17 . 1 1 59 59 GLY H H 59 8.919 8.919 8.225 0.694 25969 11043 1 17 . 1 1 60 60 GLN N N 60 121.745 121.745 119.101 2.644 25969 11044 1 17 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.494 -0.103 25969 11045 1 17 . 1 1 60 60 GLN C C 60 177.222 177.222 176.890 0.332 25969 11046 1 17 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.263 -0.258 25969 11047 1 17 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.324 -0.482 25969 11048 1 17 . 1 1 60 60 GLN H H 60 8.575 8.575 8.368 0.207 25969 11049 1 17 . 1 1 61 61 ALA N N 61 128.305 128.305 125.299 3.006 25969 11050 1 17 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.896 -0.497 25969 11051 1 17 . 1 1 61 61 ALA C C 61 178.704 178.704 179.398 -0.694 25969 11052 1 17 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.679 0.610 25969 11053 1 17 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.663 -1.731 25969 11054 1 17 . 1 1 61 61 ALA H H 61 8.576 8.576 8.222 0.354 25969 11055 1 17 . 1 1 62 62 LYS N N 62 114.337 114.337 118.367 -4.030 25969 11056 1 17 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.238 -0.062 25969 11057 1 17 . 1 1 62 62 LYS C C 62 177.327 177.327 177.085 0.242 25969 11058 1 17 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.222 0.854 25969 11059 1 17 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.569 -0.274 25969 11060 1 17 . 1 1 62 62 LYS H H 62 8.272 8.272 8.025 0.247 25969 11061 1 17 . 1 1 63 63 GLY N N 63 107.059 107.059 109.160 -2.101 25969 11062 1 17 . 1 1 63 63 GLY C C 63 173.759 173.759 172.648 1.111 25969 11063 1 17 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.465 0.320 25969 11064 1 17 . 1 1 63 63 GLY H H 63 7.813 7.813 8.201 -0.389 25969 11065 1 17 . 1 1 64 64 ILE N N 64 122.496 122.496 121.774 0.722 25969 11066 1 17 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.461 -0.005 25969 11067 1 17 . 1 1 64 64 ILE C C 64 176.033 176.033 176.412 -0.379 25969 11068 1 17 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.844 0.699 25969 11069 1 17 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.275 -2.303 25969 11070 1 17 . 1 1 64 64 ILE H H 64 7.256 7.256 7.570 -0.314 25969 11071 1 17 . 1 1 65 65 LEU N N 65 128.858 128.858 122.639 6.219 25969 11072 1 17 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.232 0.021 25969 11073 1 17 . 1 1 65 65 LEU C C 65 178.203 178.203 176.226 1.977 25969 11074 1 17 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.246 -0.708 25969 11075 1 17 . 1 1 65 65 LEU CB C 65 42.536 42.536 42.364 0.173 25969 11076 1 17 . 1 1 65 65 LEU H H 65 8.417 8.417 8.469 -0.052 25969 11077 1 17 . 1 1 66 66 GLU N N 66 119.109 119.109 122.010 -2.901 25969 11078 1 17 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.672 -0.431 25969 11079 1 17 . 1 1 66 66 GLU C C 66 177.436 177.436 176.517 0.919 25969 11080 1 17 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.087 1.171 25969 11081 1 17 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.729 -2.630 25969 11082 1 17 . 1 1 66 66 GLU H H 66 8.590 8.590 8.502 0.088 25969 11083 1 17 . 1 1 67 67 GLY N N 67 108.490 108.490 111.652 -3.162 25969 11084 1 17 . 1 1 67 67 GLY C C 67 173.551 173.551 173.277 0.274 25969 11085 1 17 . 1 1 67 67 GLY CA C 67 46.121 46.121 46.105 0.016 25969 11086 1 17 . 1 1 67 67 GLY H H 67 9.498 9.498 8.785 0.713 25969 11087 1 17 . 1 1 68 68 LYS N N 68 117.773 117.773 117.573 0.200 25969 11088 1 17 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.859 -0.063 25969 11089 1 17 . 1 1 68 68 LYS C C 68 175.637 175.637 174.674 0.963 25969 11090 1 17 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.654 -0.385 25969 11091 1 17 . 1 1 68 68 LYS CB C 68 35.702 35.702 34.990 0.712 25969 11092 1 17 . 1 1 68 68 LYS H H 68 7.604 7.604 7.757 -0.153 25969 11093 1 17 . 1 1 69 69 PHE N N 69 114.518 114.518 122.015 -7.497 25969 11094 1 17 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.639 -0.167 25969 11095 1 17 . 1 1 69 69 PHE C C 69 172.591 172.591 173.394 -0.803 25969 11096 1 17 . 1 1 69 69 PHE CA C 69 59.078 59.078 57.254 1.824 25969 11097 1 17 . 1 1 69 69 PHE CB C 69 40.377 40.377 41.654 -1.276 25969 11098 1 17 . 1 1 69 69 PHE H H 69 8.439 8.439 8.060 0.379 25969 11099 1 17 . 1 1 70 70 THR N N 70 115.260 115.260 120.061 -4.801 25969 11100 1 17 . 1 1 70 70 THR HA H 70 4.602 4.602 3.633 0.969 25969 11101 1 17 . 1 1 70 70 THR C C 70 172.508 172.508 172.575 -0.067 25969 11102 1 17 . 1 1 70 70 THR CA C 70 62.484 62.484 61.074 1.410 25969 11103 1 17 . 1 1 70 70 THR CB C 70 71.367 71.367 70.900 0.466 25969 11104 1 17 . 1 1 70 70 THR H H 70 8.474 8.474 8.026 0.448 25969 11105 1 17 . 1 1 71 71 LEU N N 71 128.144 128.144 125.991 2.153 25969 11106 1 17 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.558 -0.050 25969 11107 1 17 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.508 0.427 25969 11108 1 17 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.471 1.384 25969 11109 1 17 . 1 1 71 71 LEU H H 71 9.284 9.284 7.625 1.659 25969 11110 1 17 . 1 1 72 72 LYS N N 72 122.603 122.603 121.735 0.868 25969 11111 1 17 . 1 1 72 72 LYS HA H 72 5.388 5.388 4.949 0.439 25969 11112 1 17 . 1 1 72 72 LYS C C 72 171.972 171.972 174.485 -2.513 25969 11113 1 17 . 1 1 72 72 LYS CA C 72 54.402 54.402 53.899 0.503 25969 11114 1 17 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.750 2.842 25969 11115 1 17 . 1 1 72 72 LYS H H 72 9.123 9.123 7.737 1.386 25969 11116 1 17 . 1 1 73 73 ALA N N 73 128.927 128.927 128.257 0.670 25969 11117 1 17 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.560 0.291 25969 11118 1 17 . 1 1 73 73 ALA C C 73 175.324 175.324 175.552 -0.228 25969 11119 1 17 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.703 -0.577 25969 11120 1 17 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.621 -1.145 25969 11121 1 17 . 1 1 73 73 ALA H H 73 9.178 9.178 8.851 0.327 25969 11122 1 17 . 1 1 74 74 VAL N N 74 123.425 123.425 120.109 3.316 25969 11123 1 17 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.065 0.074 25969 11124 1 17 . 1 1 74 74 VAL C C 74 173.425 173.425 174.197 -0.772 25969 11125 1 17 . 1 1 74 74 VAL CA C 74 60.850 60.850 59.926 0.924 25969 11126 1 17 . 1 1 74 74 VAL CB C 74 35.768 35.768 36.443 -0.675 25969 11127 1 17 . 1 1 74 74 VAL H H 74 8.727 8.727 8.671 0.056 25969 11128 1 17 . 1 1 75 75 ALA N N 75 130.762 130.762 127.041 3.721 25969 11129 1 17 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.465 0.193 25969 11130 1 17 . 1 1 75 75 ALA C C 75 177.327 177.327 178.880 -1.553 25969 11131 1 17 . 1 1 75 75 ALA CA C 75 53.200 53.200 51.704 1.496 25969 11132 1 17 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.975 0.631 25969 11133 1 17 . 1 1 75 75 ALA H H 75 9.164 9.164 7.640 1.524 25969 11134 1 17 . 1 1 76 76 LEU N N 76 119.175 119.175 123.764 -4.589 25969 11135 1 17 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.041 -0.247 25969 11136 1 17 . 1 1 76 76 LEU C C 76 178.036 178.036 177.934 0.102 25969 11137 1 17 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.381 0.895 25969 11138 1 17 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.119 -0.273 25969 11139 1 17 . 1 1 76 76 LEU H H 76 8.269 8.269 8.792 -0.523 25969 11140 1 17 . 1 1 77 77 ASP N N 77 115.777 115.777 114.922 0.855 25969 11141 1 17 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.812 -0.016 25969 11142 1 17 . 1 1 77 77 ASP C C 77 176.012 176.012 176.636 -0.624 25969 11143 1 17 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.889 -2.158 25969 11144 1 17 . 1 1 77 77 ASP CB C 77 40.176 40.176 39.785 0.391 25969 11145 1 17 . 1 1 77 77 ASP H H 77 7.715 7.715 8.250 -0.535 25969 11146 1 17 . 1 1 78 78 ARG N N 78 122.846 122.846 119.892 2.954 25969 11147 1 17 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.089 -0.006 25969 11148 1 17 . 1 1 78 78 ARG C C 78 177.869 177.869 176.909 0.960 25969 11149 1 17 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.415 -1.007 25969 11150 1 17 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.351 0.274 25969 11151 1 17 . 1 1 78 78 ARG H H 78 8.408 8.408 7.353 1.055 25969 11152 1 17 . 1 1 79 79 GLU N N 79 118.091 118.091 118.800 -0.709 25969 11153 1 17 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.043 -0.024 25969 11154 1 17 . 1 1 79 79 GLU C C 79 177.930 177.930 177.175 0.755 25969 11155 1 17 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.435 -0.111 25969 11156 1 17 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.224 -0.090 25969 11157 1 17 . 1 1 79 79 GLU H H 79 7.888 7.888 8.318 -0.430 25969 11158 1 17 . 1 1 80 80 ALA N N 80 120.528 120.528 118.976 1.552 25969 11159 1 17 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.453 -0.351 25969 11160 1 17 . 1 1 80 80 ALA C C 80 178.142 178.142 176.584 1.558 25969 11161 1 17 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.759 0.308 25969 11162 1 17 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.620 -1.348 25969 11163 1 17 . 1 1 80 80 ALA H H 80 7.175 7.175 8.049 -0.874 25969 11164 1 17 . 1 1 81 81 GLU N N 81 115.377 115.377 118.424 -3.047 25969 11165 1 17 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.795 -0.033 25969 11166 1 17 . 1 1 81 81 GLU C C 81 171.047 171.047 174.718 -3.671 25969 11167 1 17 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.754 -0.556 25969 11168 1 17 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.311 1.382 25969 11169 1 17 . 1 1 81 81 GLU H H 81 7.457 7.457 7.548 -0.091 25969 11170 1 17 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.204 0.493 25969 11171 1 17 . 1 1 82 82 PRO C C 82 177.636 177.636 176.427 1.209 25969 11172 1 17 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.918 -1.327 25969 11173 1 17 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.850 0.982 25969 11174 1 17 . 1 1 83 83 ARG N N 83 118.488 118.488 117.801 0.687 25969 11175 1 17 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.288 0.286 25969 11176 1 17 . 1 1 83 83 ARG C C 83 176.870 176.870 175.829 1.041 25969 11177 1 17 . 1 1 83 83 ARG CA C 83 57.044 57.044 56.980 0.064 25969 11178 1 17 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.695 0.481 25969 11179 1 17 . 1 1 83 83 ARG H H 83 8.554 8.554 7.745 0.809 25969 11180 1 17 . 1 1 84 84 VAL N N 84 111.376 111.376 118.783 -7.407 25969 11181 1 17 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.060 -0.033 25969 11182 1 17 . 1 1 84 84 VAL C C 84 174.302 174.302 174.407 -0.105 25969 11183 1 17 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.750 -1.207 25969 11184 1 17 . 1 1 84 84 VAL CB C 84 34.690 34.690 35.002 -0.312 25969 11185 1 17 . 1 1 84 84 VAL H H 84 8.304 8.304 8.286 0.018 25969 11186 1 17 . 1 1 85 85 LEU N N 85 122.000 122.000 121.721 0.279 25969 11187 1 17 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.177 0.151 25969 11188 1 17 . 1 1 85 85 LEU C C 85 175.491 175.491 174.114 1.377 25969 11189 1 17 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.394 -0.528 25969 11190 1 17 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.781 0.341 25969 11191 1 17 . 1 1 85 85 LEU H H 85 8.095 8.095 8.775 -0.680 25969 11192 1 17 . 1 1 86 86 ARG N N 86 119.409 119.409 121.608 -2.199 25969 11193 1 17 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.280 0.190 25969 11194 1 17 . 1 1 86 86 ARG C C 86 174.928 174.928 173.262 1.666 25969 11195 1 17 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.758 -0.556 25969 11196 1 17 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.259 1.376 25969 11197 1 17 . 1 1 86 86 ARG H H 86 8.851 8.851 8.233 0.618 25969 11198 1 17 . 1 1 87 87 LEU N N 87 122.550 122.550 123.884 -1.334 25969 11199 1 17 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.030 0.044 25969 11200 1 17 . 1 1 87 87 LEU C C 87 174.406 174.406 173.966 0.440 25969 11201 1 17 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.665 1.339 25969 11202 1 17 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.535 1.589 25969 11203 1 17 . 1 1 87 87 LEU H H 87 8.798 8.798 7.943 0.855 25969 11204 1 17 . 1 1 88 88 ASN N N 88 125.347 125.347 122.963 2.384 25969 11205 1 17 . 1 1 88 88 ASN HA H 88 5.423 5.423 4.443 0.980 25969 11206 1 17 . 1 1 88 88 ASN C C 88 176.576 176.576 176.806 -0.230 25969 11207 1 17 . 1 1 88 88 ASN CA C 88 50.863 50.863 50.641 0.222 25969 11208 1 17 . 1 1 88 88 ASN CB C 88 40.577 40.577 39.747 0.830 25969 11209 1 17 . 1 1 88 88 ASN H H 88 7.376 7.376 8.246 -0.870 25969 11210 1 17 . 1 1 89 89 GLU N N 89 114.953 114.953 118.183 -3.230 25969 11211 1 17 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.322 -0.926 25969 11212 1 17 . 1 1 89 89 GLU C C 89 176.684 176.684 176.719 -0.035 25969 11213 1 17 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.978 -0.438 25969 11214 1 17 . 1 1 89 89 GLU CB C 89 27.870 27.870 29.539 -1.669 25969 11215 1 17 . 1 1 89 89 GLU H H 89 7.586 7.586 8.451 -0.865 25969 11216 1 17 . 1 1 90 90 SER N N 90 117.110 117.110 111.563 5.547 25969 11217 1 17 . 1 1 90 90 SER HA H 90 4.442 4.442 4.545 -0.103 25969 11218 1 17 . 1 1 90 90 SER C C 90 174.051 174.051 175.152 -1.101 25969 11219 1 17 . 1 1 90 90 SER CA C 90 58.895 58.895 57.569 1.325 25969 11220 1 17 . 1 1 90 90 SER CB C 90 63.886 63.886 63.718 0.168 25969 11221 1 17 . 1 1 90 90 SER H H 90 7.385 7.385 7.545 -0.160 25969 11222 1 17 . 1 1 91 91 LEU N N 91 116.559 116.559 119.396 -2.837 25969 11223 1 17 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.036 -0.339 25969 11224 1 17 . 1 1 91 91 LEU C C 91 175.825 175.825 175.898 -0.073 25969 11225 1 17 . 1 1 91 91 LEU CA C 91 56.042 56.042 56.264 -0.222 25969 11226 1 17 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.309 -1.604 25969 11227 1 17 . 1 1 91 91 LEU H H 91 8.704 8.704 8.090 0.614 25969 11228 1 17 . 1 1 92 92 THR N N 92 115.529 115.529 115.760 -0.231 25969 11229 1 17 . 1 1 92 92 THR HA H 92 4.254 4.254 4.379 -0.125 25969 11230 1 17 . 1 1 92 92 THR C C 92 173.425 173.425 172.965 0.460 25969 11231 1 17 . 1 1 92 92 THR CA C 92 62.617 62.617 63.314 -0.697 25969 11232 1 17 . 1 1 92 92 THR CB C 92 69.096 69.096 69.501 -0.405 25969 11233 1 17 . 1 1 92 92 THR H H 92 7.704 7.704 8.585 -0.881 25969 11234 1 17 . 1 1 93 93 ALA N N 93 130.459 130.459 130.998 -0.539 25969 11235 1 17 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.352 0.335 25969 11236 1 17 . 1 1 93 93 ALA C C 93 177.201 177.201 175.300 1.901 25969 11237 1 17 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.510 0.752 25969 11238 1 17 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.277 -0.467 25969 11239 1 17 . 1 1 93 93 ALA H H 93 9.002 9.002 8.328 0.674 25969 11240 1 17 . 1 1 94 94 VAL N N 94 117.872 117.872 120.211 -2.339 25969 11241 1 17 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.733 0.171 25969 11242 1 17 . 1 1 94 94 VAL C C 94 173.613 173.613 173.776 -0.163 25969 11243 1 17 . 1 1 94 94 VAL CA C 94 59.679 59.679 61.347 -1.668 25969 11244 1 17 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.401 -0.365 25969 11245 1 17 . 1 1 94 94 VAL H H 94 8.833 8.833 8.261 0.572 25969 11246 1 17 . 1 1 95 95 VAL N N 95 121.842 121.842 127.647 -5.805 25969 11247 1 17 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.856 0.397 25969 11248 1 17 . 1 1 95 95 VAL C C 95 174.552 174.552 173.674 0.878 25969 11249 1 17 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.490 -0.548 25969 11250 1 17 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.025 0.875 25969 11251 1 17 . 1 1 95 95 VAL H H 95 9.286 9.286 8.651 0.635 25969 11252 1 17 . 1 1 96 96 CYS N N 96 126.839 126.839 124.018 2.821 25969 11253 1 17 . 1 1 96 96 CYS HA H 96 5.423 5.423 5.123 0.300 25969 11254 1 17 . 1 1 96 96 CYS C C 96 174.135 174.135 175.569 -1.434 25969 11255 1 17 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.797 -3.528 25969 11256 1 17 . 1 1 96 96 CYS CB C 96 46.455 46.455 31.213 15.242 25969 11257 1 17 . 1 1 96 96 CYS H H 96 9.452 9.452 9.003 0.449 25969 11258 1 17 . 1 1 97 97 GLY N N 97 109.718 109.718 107.898 1.820 25969 11259 1 17 . 1 1 97 97 GLY C C 97 172.639 172.639 172.807 -0.168 25969 11260 1 17 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.209 1.179 25969 11261 1 17 . 1 1 97 97 GLY H H 97 8.355 8.355 8.697 -0.342 25969 11262 1 17 . 1 1 98 98 LYS N N 98 114.844 114.844 119.866 -5.022 25969 11263 1 17 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.557 0.187 25969 11264 1 17 . 1 1 98 98 LYS C C 98 174.051 174.051 174.295 -0.244 25969 11265 1 17 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.680 -1.344 25969 11266 1 17 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.908 -0.380 25969 11267 1 17 . 1 1 98 98 LYS H H 98 7.632 7.632 7.724 -0.092 25969 11268 1 17 . 1 1 99 99 MET N N 99 124.801 124.801 126.802 -2.001 25969 11269 1 17 . 1 1 99 99 MET HA H 99 5.017 5.017 4.765 0.252 25969 11270 1 17 . 1 1 99 99 MET C C 99 176.337 176.337 175.317 1.020 25969 11271 1 17 . 1 1 99 99 MET CA C 99 54.803 54.803 54.114 0.689 25969 11272 1 17 . 1 1 99 99 MET CB C 99 34.646 34.646 33.922 0.724 25969 11273 1 17 . 1 1 99 99 MET H H 99 8.759 8.759 8.751 0.008 25969 11274 1 17 . 1 1 100 100 LYS N N 100 126.252 126.252 127.276 -1.024 25969 11275 1 17 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.284 0.092 25969 11276 1 17 . 1 1 100 100 LYS C C 100 177.222 177.222 177.401 -0.179 25969 11277 1 17 . 1 1 100 100 LYS CA C 100 56.455 56.455 58.649 -2.194 25969 11278 1 17 . 1 1 100 100 LYS CB C 100 32.429 32.429 32.825 -0.396 25969 11279 1 17 . 1 1 100 100 LYS H H 100 8.602 8.602 7.986 0.616 25969 11280 1 17 . 1 1 101 101 GLY N N 101 108.944 108.944 105.543 3.401 25969 11281 1 17 . 1 1 101 101 GLY C C 101 173.613 173.613 174.435 -0.822 25969 11282 1 17 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.359 0.226 25969 11283 1 17 . 1 1 101 101 GLY H H 101 8.385 8.385 7.603 0.782 25969 11284 1 17 . 1 1 102 102 LYS N N 102 118.594 118.594 119.744 -1.150 25969 11285 1 17 . 1 1 102 102 LYS HA H 102 4.414 4.414 3.984 0.430 25969 11286 1 17 . 1 1 102 102 LYS C C 102 176.867 176.867 176.163 0.704 25969 11287 1 17 . 1 1 102 102 LYS CA C 102 55.872 55.872 58.191 -2.320 25969 11288 1 17 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.392 1.631 25969 11289 1 17 . 1 1 102 102 LYS H H 102 8.436 8.436 8.394 0.042 25969 11290 1 17 . 1 1 103 103 GLY N N 103 110.581 110.581 108.942 1.639 25969 11291 1 17 . 1 1 103 103 GLY C C 103 171.631 171.631 172.386 -0.755 25969 11292 1 17 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.714 1.206 25969 11293 1 17 . 1 1 103 103 GLY H H 103 8.443 8.443 7.892 0.551 25969 11294 1 17 . 1 1 104 104 SER N N 104 113.710 113.710 115.771 -2.061 25969 11295 1 17 . 1 1 104 104 SER HA H 104 4.697 4.697 4.721 -0.024 25969 11296 1 17 . 1 1 104 104 SER C C 104 174.680 174.680 173.996 0.684 25969 11297 1 17 . 1 1 104 104 SER CA C 104 57.331 57.331 56.573 0.758 25969 11298 1 17 . 1 1 104 104 SER CB C 104 66.178 66.178 65.972 0.206 25969 11299 1 17 . 1 1 104 104 SER H H 104 8.535 8.535 7.975 0.560 25969 11300 1 17 . 1 1 105 105 CYS N N 105 118.835 118.835 122.096 -3.261 25969 11301 1 17 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.331 0.281 25969 11302 1 17 . 1 1 105 105 CYS C C 105 176.502 176.502 175.776 0.726 25969 11303 1 17 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.660 -3.524 25969 11304 1 17 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.128 13.284 25969 11305 1 17 . 1 1 105 105 CYS H H 105 10.009 10.009 8.779 1.230 25969 11306 1 17 . 1 1 106 106 THR N N 106 107.957 107.957 113.340 -5.383 25969 11307 1 17 . 1 1 106 106 THR HA H 106 4.574 4.574 3.851 0.723 25969 11308 1 17 . 1 1 106 106 THR C C 106 175.178 175.178 173.618 1.560 25969 11309 1 17 . 1 1 106 106 THR CA C 106 61.014 61.014 64.181 -3.167 25969 11310 1 17 . 1 1 106 106 THR CB C 106 68.495 68.495 67.802 0.693 25969 11311 1 17 . 1 1 106 106 THR H H 106 8.030 8.030 8.905 -0.875 25969 11312 1 17 . 1 1 107 107 ASP N N 107 120.763 120.763 118.522 2.241 25969 11313 1 17 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.706 -0.386 25969 11314 1 17 . 1 1 107 107 ASP C C 107 177.264 177.264 175.888 1.376 25969 11315 1 17 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.679 0.325 25969 11316 1 17 . 1 1 107 107 ASP CB C 107 40.844 40.844 44.255 -3.411 25969 11317 1 17 . 1 1 107 107 ASP H H 107 7.531 7.531 7.754 -0.223 25969 11318 1 17 . 1 1 108 108 GLY N N 108 108.602 108.602 109.717 -1.115 25969 11319 1 17 . 1 1 108 108 GLY C C 108 174.698 174.698 173.072 1.626 25969 11320 1 17 . 1 1 108 108 GLY CA C 108 45.653 45.653 44.958 0.695 25969 11321 1 17 . 1 1 108 108 GLY H H 108 8.591 8.591 8.044 0.547 25969 11322 1 17 . 1 1 109 109 GLU N N 109 120.191 120.191 119.267 0.924 25969 11323 1 17 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.309 0.143 25969 11324 1 17 . 1 1 109 109 GLU C C 109 176.472 176.472 175.132 1.340 25969 11325 1 17 . 1 1 109 109 GLU CA C 109 55.678 55.678 56.078 -0.400 25969 11326 1 17 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.255 0.629 25969 11327 1 17 . 1 1 109 109 GLU H H 109 8.292 8.292 7.960 0.332 25969 11328 1 17 . 1 1 110 110 GLU N N 110 116.857 116.857 118.331 -1.474 25969 11329 1 17 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.302 -0.086 25969 11330 1 17 . 1 1 110 110 GLU C C 110 176.381 176.381 174.766 1.615 25969 11331 1 17 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.161 0.975 25969 11332 1 17 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.122 0.151 25969 11333 1 17 . 1 1 110 110 GLU H H 110 9.028 9.028 8.579 0.449 25969 11334 1 17 . 1 1 111 111 ILE N N 111 109.164 109.164 114.126 -4.962 25969 11335 1 17 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.854 -0.019 25969 11336 1 17 . 1 1 111 111 ILE C C 111 176.868 176.868 174.480 2.388 25969 11337 1 17 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.682 -0.540 25969 11338 1 17 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.407 1.708 25969 11339 1 17 . 1 1 111 111 ILE H H 111 7.022 7.022 7.205 -0.183 25969 11340 1 17 . 1 1 112 112 PHE N N 112 118.509 118.509 123.337 -4.828 25969 11341 1 17 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.864 0.248 25969 11342 1 17 . 1 1 112 112 PHE C C 112 174.171 174.171 173.655 0.516 25969 11343 1 17 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.897 1.894 25969 11344 1 17 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.387 3.472 25969 11345 1 17 . 1 1 112 112 PHE H H 112 8.605 8.605 8.071 0.534 25969 11346 1 17 . 1 1 113 113 ARG N N 113 119.908 119.908 121.449 -1.541 25969 11347 1 17 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.477 0.295 25969 11348 1 17 . 1 1 113 113 ARG C C 113 176.930 176.930 174.656 2.274 25969 11349 1 17 . 1 1 113 113 ARG CA C 113 55.404 55.404 54.823 0.581 25969 11350 1 17 . 1 1 113 113 ARG CB C 113 33.431 33.431 33.598 -0.167 25969 11351 1 17 . 1 1 113 113 ARG H H 113 9.352 9.352 7.376 1.976 25969 11352 1 17 . 1 1 114 114 GLY N N 114 109.477 109.477 109.946 -0.469 25969 11353 1 17 . 1 1 114 114 GLY C C 114 173.738 173.738 173.237 0.501 25969 11354 1 17 . 1 1 114 114 GLY CA C 114 44.451 44.451 44.796 -0.345 25969 11355 1 17 . 1 1 114 114 GLY H H 114 8.467 8.467 8.485 -0.018 25969 11356 1 17 . 1 1 115 115 ASN N N 115 119.193 119.193 122.250 -3.057 25969 11357 1 17 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.970 -0.236 25969 11358 1 17 . 1 1 115 115 ASN C C 115 173.530 173.530 173.033 0.497 25969 11359 1 17 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.547 0.186 25969 11360 1 17 . 1 1 115 115 ASN CB C 115 39.642 39.642 42.301 -2.659 25969 11361 1 17 . 1 1 115 115 ASN H H 115 8.523 8.523 8.436 0.087 25969 11362 1 17 . 1 1 116 116 ASP N N 116 120.602 120.602 120.054 0.548 25969 11363 1 17 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.149 -0.066 25969 11364 1 17 . 1 1 116 116 ASP C C 116 174.030 174.030 174.576 -0.546 25969 11365 1 17 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.738 1.531 25969 11366 1 17 . 1 1 116 116 ASP CB C 116 43.983 43.983 43.653 0.331 25969 11367 1 17 . 1 1 116 116 ASP H H 116 8.098 8.098 8.369 -0.271 25969 11368 1 17 . 1 1 117 117 ALA N N 117 123.146 123.146 122.568 0.578 25969 11369 1 17 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.637 0.079 25969 11370 1 17 . 1 1 117 117 ALA C C 117 175.345 175.345 176.298 -0.953 25969 11371 1 17 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.137 0.325 25969 11372 1 17 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.301 1.844 25969 11373 1 17 . 1 1 117 117 ALA H H 117 8.979 8.979 8.437 0.542 25969 11374 1 17 . 1 1 118 118 GLU N N 118 115.917 115.917 116.186 -0.269 25969 11375 1 17 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.954 -0.059 25969 11376 1 17 . 1 1 118 118 GLU C C 118 177.181 177.181 174.815 2.366 25969 11377 1 17 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.075 -0.717 25969 11378 1 17 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.763 -1.011 25969 11379 1 17 . 1 1 118 118 GLU H H 118 8.829 8.829 8.812 0.017 25969 11380 1 17 . 1 1 119 119 CYS N N 119 119.476 119.476 116.636 2.840 25969 11381 1 17 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.385 0.085 25969 11382 1 17 . 1 1 119 119 CYS C C 119 174.738 174.738 174.562 0.176 25969 11383 1 17 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.090 -0.926 25969 11384 1 17 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.177 13.281 25969 11385 1 17 . 1 1 119 119 CYS H H 119 8.671 8.671 8.204 0.467 25969 11386 1 17 . 1 1 120 120 ARG N N 120 123.444 123.444 121.790 1.654 25969 11387 1 17 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.013 -0.088 25969 11388 1 17 . 1 1 120 120 ARG C C 120 172.028 172.028 173.185 -1.157 25969 11389 1 17 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.072 0.597 25969 11390 1 17 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.701 0.860 25969 11391 1 17 . 1 1 120 120 ARG H H 120 9.238 9.238 9.185 0.053 25969 11392 1 17 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.604 -0.058 25969 11393 1 17 . 1 1 121 121 PRO C C 121 176.138 176.138 175.478 0.660 25969 11394 1 17 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.143 0.877 25969 11395 1 17 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.995 0.167 25969 11396 1 17 . 1 1 122 122 PHE N N 122 124.392 124.392 125.552 -1.160 25969 11397 1 17 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.788 -0.082 25969 11398 1 17 . 1 1 122 122 PHE C C 122 175.032 175.032 174.328 0.704 25969 11399 1 17 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.106 1.302 25969 11400 1 17 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.709 -2.332 25969 11401 1 17 . 1 1 122 122 PHE H H 122 8.335 8.335 8.734 -0.399 25969 11402 1 17 . 1 1 123 123 THR N N 123 118.912 118.912 114.478 4.434 25969 11403 1 17 . 1 1 123 123 THR HA H 123 4.140 4.140 4.582 -0.442 25969 11404 1 17 . 1 1 123 123 THR C C 123 173.071 173.071 173.975 -0.904 25969 11405 1 17 . 1 1 123 123 THR CA C 123 60.948 60.948 60.197 0.751 25969 11406 1 17 . 1 1 123 123 THR CB C 123 69.430 69.430 69.612 -0.183 25969 11407 1 17 . 1 1 123 123 THR H H 123 8.146 8.146 7.948 0.198 25969 11408 1 18 . 1 1 7 7 ARG N N 7 122.494 122.494 121.927 0.567 25969 11409 1 18 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.351 -0.001 25969 11410 1 18 . 1 1 7 7 ARG C C 7 177.037 177.037 176.058 0.979 25969 11411 1 18 . 1 1 7 7 ARG CA C 7 56.724 56.724 55.934 0.790 25969 11412 1 18 . 1 1 7 7 ARG CB C 7 30.881 30.881 30.753 0.128 25969 11413 1 18 . 1 1 7 7 ARG H H 7 8.649 8.649 8.335 0.314 25969 11414 1 18 . 1 1 8 8 SER N N 8 117.535 117.535 116.018 1.517 25969 11415 1 18 . 1 1 8 8 SER HA H 8 4.384 4.384 4.286 0.098 25969 11416 1 18 . 1 1 8 8 SER C C 8 174.613 174.613 174.022 0.591 25969 11417 1 18 . 1 1 8 8 SER CA C 8 59.412 59.412 59.437 -0.025 25969 11418 1 18 . 1 1 8 8 SER CB C 8 63.686 63.686 62.520 1.165 25969 11419 1 18 . 1 1 8 8 SER H H 8 8.522 8.522 7.870 0.652 25969 11420 1 18 . 1 1 9 9 ALA N N 9 126.336 126.336 127.765 -1.429 25969 11421 1 18 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.496 -0.031 25969 11422 1 18 . 1 1 9 9 ALA C C 9 178.349 178.349 178.730 -0.381 25969 11423 1 18 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.282 0.785 25969 11424 1 18 . 1 1 9 9 ALA CB C 9 18.914 18.914 20.093 -1.179 25969 11425 1 18 . 1 1 9 9 ALA H H 9 8.415 8.415 7.766 0.649 25969 11426 1 18 . 1 1 10 10 ASN N N 10 121.438 121.438 118.863 2.575 25969 11427 1 18 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.706 -0.020 25969 11428 1 18 . 1 1 10 10 ASN C C 10 175.571 175.571 175.512 0.059 25969 11429 1 18 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.490 -0.243 25969 11430 1 18 . 1 1 10 10 ASN CB C 10 39.125 39.125 37.436 1.689 25969 11431 1 18 . 1 1 10 10 ASN H H 10 9.263 9.263 9.262 0.001 25969 11432 1 18 . 1 1 11 11 LEU N N 11 125.021 125.021 120.285 4.736 25969 11433 1 18 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.839 0.782 25969 11434 1 18 . 1 1 11 11 LEU C C 11 178.567 178.567 177.863 0.704 25969 11435 1 18 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.533 1.353 25969 11436 1 18 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.164 1.096 25969 11437 1 18 . 1 1 11 11 LEU H H 11 8.560 8.560 7.971 0.589 25969 11438 1 18 . 1 1 12 12 ARG N N 12 117.977 117.977 118.555 -0.578 25969 11439 1 18 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.059 0.075 25969 11440 1 18 . 1 1 12 12 ARG C C 12 179.350 179.350 178.495 0.855 25969 11441 1 18 . 1 1 12 12 ARG CA C 12 60.347 60.347 58.340 2.007 25969 11442 1 18 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.440 1.251 25969 11443 1 18 . 1 1 12 12 ARG H H 12 8.114 8.114 8.147 -0.033 25969 11444 1 18 . 1 1 13 13 ALA N N 13 123.280 123.280 121.607 1.673 25969 11445 1 18 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.160 0.053 25969 11446 1 18 . 1 1 13 13 ALA C C 13 180.957 180.957 179.578 1.379 25969 11447 1 18 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.567 -0.165 25969 11448 1 18 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.041 -0.172 25969 11449 1 18 . 1 1 13 13 ALA H H 13 7.871 7.871 7.636 0.235 25969 11450 1 18 . 1 1 14 14 ALA N N 14 122.111 122.111 120.794 1.317 25969 11451 1 18 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.899 -0.194 25969 11452 1 18 . 1 1 14 14 ALA C C 14 178.578 178.578 178.882 -0.304 25969 11453 1 18 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.413 0.991 25969 11454 1 18 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.957 -0.697 25969 11455 1 18 . 1 1 14 14 ALA H H 14 7.930 7.930 7.222 0.708 25969 11456 1 18 . 1 1 15 15 HIS N N 15 118.502 118.502 117.796 0.706 25969 11457 1 18 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.210 -0.434 25969 11458 1 18 . 1 1 15 15 HIS C C 15 176.304 176.304 177.143 -0.839 25969 11459 1 18 . 1 1 15 15 HIS CA C 15 60.031 60.031 60.056 -0.025 25969 11460 1 18 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.699 1.671 25969 11461 1 18 . 1 1 15 15 HIS H H 15 8.422 8.422 8.761 -0.339 25969 11462 1 18 . 1 1 16 16 ALA N N 16 120.116 120.116 120.198 -0.082 25969 11463 1 18 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.321 -0.467 25969 11464 1 18 . 1 1 16 16 ALA C C 16 180.644 180.644 178.869 1.775 25969 11465 1 18 . 1 1 16 16 ALA CA C 16 55.471 55.471 54.058 1.413 25969 11466 1 18 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.652 -0.850 25969 11467 1 18 . 1 1 16 16 ALA H H 16 7.980 7.980 7.596 0.384 25969 11468 1 18 . 1 1 17 17 ALA N N 17 121.281 121.281 122.546 -1.265 25969 11469 1 18 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.095 0.081 25969 11470 1 18 . 1 1 17 17 ALA C C 17 180.122 180.122 179.350 0.772 25969 11471 1 18 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.803 -0.334 25969 11472 1 18 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.448 1.692 25969 11473 1 18 . 1 1 17 17 ALA H H 17 7.465 7.465 7.198 0.267 25969 11474 1 18 . 1 1 18 18 LEU N N 18 120.262 120.262 118.296 1.966 25969 11475 1 18 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.072 -0.265 25969 11476 1 18 . 1 1 18 18 LEU C C 18 178.766 178.766 179.364 -0.598 25969 11477 1 18 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.403 1.341 25969 11478 1 18 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.849 0.862 25969 11479 1 18 . 1 1 18 18 LEU H H 18 8.468 8.468 8.506 -0.038 25969 11480 1 18 . 1 1 19 19 LEU N N 19 119.078 119.078 120.854 -1.776 25969 11481 1 18 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.152 -0.290 25969 11482 1 18 . 1 1 19 19 LEU C C 19 179.517 179.517 178.345 1.172 25969 11483 1 18 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.317 -0.308 25969 11484 1 18 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.084 0.361 25969 11485 1 18 . 1 1 19 19 LEU H H 19 8.029 8.029 7.496 0.533 25969 11486 1 18 . 1 1 20 20 GLU N N 20 121.499 121.499 119.652 1.847 25969 11487 1 18 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.027 0.000 25969 11488 1 18 . 1 1 20 20 GLU C C 20 180.289 180.289 179.273 1.016 25969 11489 1 18 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.887 -0.008 25969 11490 1 18 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.315 -0.025 25969 11491 1 18 . 1 1 20 20 GLU H H 20 7.895 7.895 8.523 -0.628 25969 11492 1 18 . 1 1 21 21 ASN N N 21 119.066 119.066 118.153 0.913 25969 11493 1 18 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.686 -0.148 25969 11494 1 18 . 1 1 21 21 ASN C C 21 177.368 177.368 177.034 0.334 25969 11495 1 18 . 1 1 21 21 ASN CA C 21 55.872 55.872 56.218 -0.346 25969 11496 1 18 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.846 1.599 25969 11497 1 18 . 1 1 21 21 ASN H H 21 8.373 8.373 8.356 0.017 25969 11498 1 18 . 1 1 22 22 ALA N N 22 125.274 125.274 124.207 1.067 25969 11499 1 18 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.054 -0.281 25969 11500 1 18 . 1 1 22 22 ALA C C 22 179.402 179.402 179.949 -0.547 25969 11501 1 18 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.297 0.174 25969 11502 1 18 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.673 -0.453 25969 11503 1 18 . 1 1 22 22 ALA H H 22 8.886 8.886 8.504 0.382 25969 11504 1 18 . 1 1 23 23 ARG N N 23 119.945 119.945 116.928 3.017 25969 11505 1 18 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.219 -0.022 25969 11506 1 18 . 1 1 23 23 ARG C C 23 179.726 179.726 178.576 1.150 25969 11507 1 18 . 1 1 23 23 ARG CA C 23 59.812 59.812 58.794 1.018 25969 11508 1 18 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.726 -0.035 25969 11509 1 18 . 1 1 23 23 ARG H H 23 8.168 8.168 8.166 0.002 25969 11510 1 18 . 1 1 24 24 PHE N N 24 121.222 121.222 120.447 0.775 25969 11511 1 18 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.369 -0.002 25969 11512 1 18 . 1 1 24 24 PHE C C 24 177.410 177.410 177.955 -0.545 25969 11513 1 18 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.657 -0.309 25969 11514 1 18 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.050 -1.143 25969 11515 1 18 . 1 1 24 24 PHE H H 24 7.658 7.658 7.684 -0.026 25969 11516 1 18 . 1 1 25 25 MET N N 25 120.355 120.355 118.690 1.665 25969 11517 1 18 . 1 1 25 25 MET HA H 25 4.300 4.300 4.668 -0.368 25969 11518 1 18 . 1 1 25 25 MET C C 25 179.371 179.371 178.210 1.161 25969 11519 1 18 . 1 1 25 25 MET CA C 25 55.939 55.939 55.887 0.052 25969 11520 1 18 . 1 1 25 25 MET CB C 25 29.424 29.424 31.466 -2.042 25969 11521 1 18 . 1 1 25 25 MET H H 25 8.358 8.358 9.082 -0.724 25969 11522 1 18 . 1 1 26 26 GLU N N 26 120.164 120.164 120.305 -0.141 25969 11523 1 18 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.290 0.048 25969 11524 1 18 . 1 1 26 26 GLU C C 26 179.934 179.934 179.847 0.087 25969 11525 1 18 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.680 0.373 25969 11526 1 18 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.489 -0.006 25969 11527 1 18 . 1 1 26 26 GLU H H 26 8.441 8.441 8.551 -0.110 25969 11528 1 18 . 1 1 27 27 GLN N N 27 121.309 121.309 118.571 2.738 25969 11529 1 18 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.277 -0.145 25969 11530 1 18 . 1 1 27 27 GLN C C 27 178.307 178.307 178.203 0.104 25969 11531 1 18 . 1 1 27 27 GLN CA C 27 58.610 58.610 57.803 0.807 25969 11532 1 18 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.714 -0.626 25969 11533 1 18 . 1 1 27 27 GLN H H 27 8.001 8.001 8.340 -0.339 25969 11534 1 18 . 1 1 28 28 PHE N N 28 124.569 124.569 122.316 2.253 25969 11535 1 18 . 1 1 28 28 PHE HA H 28 3.814 3.814 4.037 -0.223 25969 11536 1 18 . 1 1 28 28 PHE C C 28 177.717 177.717 177.502 0.215 25969 11537 1 18 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.650 0.542 25969 11538 1 18 . 1 1 28 28 PHE CB C 28 39.343 39.343 38.972 0.371 25969 11539 1 18 . 1 1 28 28 PHE H H 28 8.760 8.760 8.298 0.462 25969 11540 1 18 . 1 1 29 29 TYR N N 29 121.726 121.726 119.836 1.890 25969 11541 1 18 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.209 -0.414 25969 11542 1 18 . 1 1 29 29 TYR C C 29 179.079 179.079 176.849 2.230 25969 11543 1 18 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.187 -0.238 25969 11544 1 18 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.678 0.029 25969 11545 1 18 . 1 1 29 29 TYR H H 29 8.956 8.956 8.556 0.400 25969 11546 1 18 . 1 1 30 30 ALA N N 30 121.142 121.142 120.206 0.936 25969 11547 1 18 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.103 -0.055 25969 11548 1 18 . 1 1 30 30 ALA C C 30 174.781 174.781 178.554 -3.773 25969 11549 1 18 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.271 0.599 25969 11550 1 18 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.310 -0.441 25969 11551 1 18 . 1 1 30 30 ALA H H 30 8.063 8.063 7.735 0.328 25969 11552 1 18 . 1 1 31 31 LYS N N 31 114.745 114.745 115.705 -0.960 25969 11553 1 18 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.217 -0.029 25969 11554 1 18 . 1 1 31 31 LYS C C 31 177.744 177.744 177.337 0.407 25969 11555 1 18 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.494 -0.086 25969 11556 1 18 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.391 -0.216 25969 11557 1 18 . 1 1 31 31 LYS H H 31 7.172 7.172 7.906 -0.734 25969 11558 1 18 . 1 1 32 32 LYS N N 32 117.388 117.388 117.209 0.179 25969 11559 1 18 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.238 -0.125 25969 11560 1 18 . 1 1 32 32 LYS C C 32 177.747 177.747 176.794 0.953 25969 11561 1 18 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.219 -0.414 25969 11562 1 18 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.249 -0.351 25969 11563 1 18 . 1 1 32 32 LYS H H 32 8.154 8.154 7.769 0.385 25969 11564 1 18 . 1 1 33 33 GLY N N 33 109.017 109.017 106.217 2.800 25969 11565 1 18 . 1 1 33 33 GLY C C 33 171.798 171.798 173.196 -1.398 25969 11566 1 18 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.657 -0.006 25969 11567 1 18 . 1 1 33 33 GLY H H 33 8.945 8.945 8.285 0.660 25969 11568 1 18 . 1 1 34 34 SER N N 34 110.165 110.165 113.604 -3.439 25969 11569 1 18 . 1 1 34 34 SER HA H 34 4.136 4.136 5.188 -1.052 25969 11570 1 18 . 1 1 34 34 SER C C 34 172.862 172.862 172.874 -0.012 25969 11571 1 18 . 1 1 34 34 SER CA C 34 56.673 56.673 57.543 -0.870 25969 11572 1 18 . 1 1 34 34 SER CB C 34 64.621 64.621 65.551 -0.930 25969 11573 1 18 . 1 1 34 34 SER H H 34 6.756 6.756 7.628 -0.872 25969 11574 1 18 . 1 1 35 35 PHE N N 35 121.132 121.132 119.976 1.156 25969 11575 1 18 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.849 0.265 25969 11576 1 18 . 1 1 35 35 PHE C C 35 172.888 172.888 176.072 -3.184 25969 11577 1 18 . 1 1 35 35 PHE CA C 35 59.260 59.260 58.656 0.604 25969 11578 1 18 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.064 0.424 25969 11579 1 18 . 1 1 35 35 PHE H H 35 9.403 9.403 8.742 0.661 25969 11580 1 18 . 1 1 36 36 LYS N N 36 114.841 114.841 121.660 -6.819 25969 11581 1 18 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.365 0.019 25969 11582 1 18 . 1 1 36 36 LYS C C 36 177.118 177.118 176.681 0.437 25969 11583 1 18 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.535 -0.263 25969 11584 1 18 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.240 -0.143 25969 11585 1 18 . 1 1 36 36 LYS H H 36 8.536 8.536 8.308 0.228 25969 11586 1 18 . 1 1 37 37 LEU N N 37 124.789 124.789 119.340 5.449 25969 11587 1 18 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.668 -0.218 25969 11588 1 18 . 1 1 37 37 LEU C C 37 177.535 177.535 176.738 0.797 25969 11589 1 18 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.289 2.453 25969 11590 1 18 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.879 1.372 25969 11591 1 18 . 1 1 37 37 LEU H H 37 8.503 8.503 8.430 0.073 25969 11592 1 18 . 1 1 38 38 THR N N 38 108.556 108.556 112.015 -3.459 25969 11593 1 18 . 1 1 38 38 THR HA H 38 4.619 4.619 4.516 0.103 25969 11594 1 18 . 1 1 38 38 THR C C 38 173.947 173.947 173.379 0.568 25969 11595 1 18 . 1 1 38 38 THR CA C 38 58.944 58.944 60.296 -1.352 25969 11596 1 18 . 1 1 38 38 THR CB C 38 71.818 71.818 70.632 1.186 25969 11597 1 18 . 1 1 38 38 THR H H 38 8.189 8.189 7.442 0.747 25969 11598 1 18 . 1 1 39 39 SER N N 39 110.757 110.757 116.923 -6.166 25969 11599 1 18 . 1 1 39 39 SER HA H 39 4.057 4.057 4.487 -0.430 25969 11600 1 18 . 1 1 39 39 SER C C 39 174.904 174.904 174.482 0.422 25969 11601 1 18 . 1 1 39 39 SER CA C 39 60.938 60.938 58.643 2.295 25969 11602 1 18 . 1 1 39 39 SER CB C 39 63.218 63.218 64.015 -0.797 25969 11603 1 18 . 1 1 39 39 SER H H 39 8.590 8.590 8.400 0.190 25969 11604 1 18 . 1 1 40 40 THR N N 40 129.807 129.807 113.786 16.021 25969 11605 1 18 . 1 1 40 40 THR HA H 40 4.453 4.453 3.837 0.616 25969 11606 1 18 . 1 1 40 40 THR C C 40 174.928 174.928 172.982 1.946 25969 11607 1 18 . 1 1 40 40 THR CA C 40 60.351 60.351 62.999 -2.648 25969 11608 1 18 . 1 1 40 40 THR CB C 40 69.910 69.910 66.757 3.153 25969 11609 1 18 . 1 1 40 40 THR H H 40 7.570 7.570 8.229 -0.659 25969 11610 1 18 . 1 1 41 41 LYS N N 41 125.614 125.614 118.006 7.608 25969 11611 1 18 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.612 0.100 25969 11612 1 18 . 1 1 41 41 LYS C C 41 174.907 174.907 174.223 0.684 25969 11613 1 18 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.725 1.013 25969 11614 1 18 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.512 1.530 25969 11615 1 18 . 1 1 41 41 LYS H H 41 7.425 7.425 7.749 -0.324 25969 11616 1 18 . 1 1 42 42 TRP N N 42 124.827 124.827 122.080 2.747 25969 11617 1 18 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.109 -0.007 25969 11618 1 18 . 1 1 42 42 TRP C C 42 173.384 173.384 174.528 -1.144 25969 11619 1 18 . 1 1 42 42 TRP CA C 42 54.402 54.402 53.388 1.014 25969 11620 1 18 . 1 1 42 42 TRP CB C 42 29.891 29.891 30.425 -0.534 25969 11621 1 18 . 1 1 42 42 TRP H H 42 8.590 8.590 8.597 -0.007 25969 11622 1 18 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.465 -0.018 25969 11623 1 18 . 1 1 43 43 PRO C C 43 174.990 174.990 176.119 -1.129 25969 11624 1 18 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.716 -0.165 25969 11625 1 18 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.292 -0.197 25969 11626 1 18 . 1 1 44 44 GLU N N 44 120.080 120.080 122.374 -2.294 25969 11627 1 18 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.138 -0.173 25969 11628 1 18 . 1 1 44 44 GLU C C 44 175.699 175.699 176.443 -0.744 25969 11629 1 18 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.409 -0.203 25969 11630 1 18 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.679 -1.097 25969 11631 1 18 . 1 1 44 44 GLU H H 44 8.134 8.134 8.426 -0.292 25969 11632 1 18 . 1 1 45 45 LEU N N 45 125.972 125.972 123.250 2.722 25969 11633 1 18 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.718 -0.755 25969 11634 1 18 . 1 1 45 45 LEU C C 45 176.242 176.242 175.303 0.939 25969 11635 1 18 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.446 -0.715 25969 11636 1 18 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.570 -0.258 25969 11637 1 18 . 1 1 45 45 LEU H H 45 8.363 8.363 8.105 0.258 25969 11638 1 18 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.166 0.008 25969 11639 1 18 . 1 1 46 46 PRO C C 46 177.702 177.702 176.025 1.677 25969 11640 1 18 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.598 0.222 25969 11641 1 18 . 1 1 46 46 PRO CB C 46 31.561 31.561 32.018 -0.457 25969 11642 1 18 . 1 1 47 47 VAL N N 47 119.474 119.474 119.853 -0.379 25969 11643 1 18 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.878 0.357 25969 11644 1 18 . 1 1 47 47 VAL C C 47 175.178 175.178 175.775 -0.597 25969 11645 1 18 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.517 -0.501 25969 11646 1 18 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.516 -0.368 25969 11647 1 18 . 1 1 47 47 VAL H H 47 7.836 7.836 8.104 -0.268 25969 11648 1 18 . 1 1 48 48 LYS N N 48 124.385 124.385 124.144 0.241 25969 11649 1 18 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.710 -0.401 25969 11650 1 18 . 1 1 48 48 LYS C C 48 176.534 176.534 175.455 1.079 25969 11651 1 18 . 1 1 48 48 LYS CA C 48 57.141 57.141 55.804 1.337 25969 11652 1 18 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.644 0.188 25969 11653 1 18 . 1 1 48 48 LYS H H 48 8.638 8.638 8.386 0.252 25969 11654 1 18 . 1 1 49 49 GLU N N 49 118.262 118.262 117.588 0.674 25969 11655 1 18 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.609 0.622 25969 11656 1 18 . 1 1 49 49 GLU C C 49 174.552 174.552 174.215 0.337 25969 11657 1 18 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.970 -0.699 25969 11658 1 18 . 1 1 49 49 GLU CB C 49 33.297 33.297 32.473 0.824 25969 11659 1 18 . 1 1 49 49 GLU H H 49 7.473 7.473 7.567 -0.094 25969 11660 1 18 . 1 1 50 50 ALA N N 50 124.186 124.186 127.845 -3.659 25969 11661 1 18 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.531 -0.080 25969 11662 1 18 . 1 1 50 50 ALA C C 50 177.890 177.890 176.746 1.144 25969 11663 1 18 . 1 1 50 50 ALA CA C 50 53.133 53.133 53.167 -0.034 25969 11664 1 18 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.630 2.983 25969 11665 1 18 . 1 1 50 50 ALA H H 50 8.902 8.902 8.982 -0.080 25969 11666 1 18 . 1 1 51 51 GLY N N 51 109.041 109.041 104.511 4.530 25969 11667 1 18 . 1 1 51 51 GLY C C 51 173.759 173.759 174.557 -0.798 25969 11668 1 18 . 1 1 51 51 GLY CA C 51 47.657 47.657 45.838 1.819 25969 11669 1 18 . 1 1 51 51 GLY H H 51 9.113 9.113 7.936 1.177 25969 11670 1 18 . 1 1 52 52 GLY N N 52 104.272 104.272 107.072 -2.800 25969 11671 1 18 . 1 1 52 52 GLY C C 52 174.156 174.156 172.922 1.234 25969 11672 1 18 . 1 1 52 52 GLY CA C 52 45.520 45.520 44.753 0.767 25969 11673 1 18 . 1 1 52 52 GLY H H 52 8.873 8.873 8.516 0.357 25969 11674 1 18 . 1 1 53 53 PHE N N 53 120.324 120.324 119.569 0.755 25969 11675 1 18 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.645 -0.488 25969 11676 1 18 . 1 1 53 53 PHE C C 53 175.574 175.574 174.147 1.427 25969 11677 1 18 . 1 1 53 53 PHE CA C 53 56.940 56.940 54.809 2.131 25969 11678 1 18 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.275 -1.896 25969 11679 1 18 . 1 1 53 53 PHE H H 53 8.278 8.278 7.617 0.661 25969 11680 1 18 . 1 1 54 54 CYS N N 54 116.465 116.465 118.153 -1.688 25969 11681 1 18 . 1 1 54 54 CYS HA H 54 5.660 5.660 5.054 0.606 25969 11682 1 18 . 1 1 54 54 CYS C C 54 173.092 173.092 173.224 -0.132 25969 11683 1 18 . 1 1 54 54 CYS CA C 54 54.997 54.997 56.061 -1.064 25969 11684 1 18 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.258 15.238 25969 11685 1 18 . 1 1 54 54 CYS H H 54 9.911 9.911 9.269 0.642 25969 11686 1 18 . 1 1 55 55 ILE N N 55 119.910 119.910 123.610 -3.700 25969 11687 1 18 . 1 1 55 55 ILE HA H 55 5.311 5.311 4.827 0.484 25969 11688 1 18 . 1 1 55 55 ILE C C 55 175.366 175.366 175.773 -0.407 25969 11689 1 18 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.291 0.189 25969 11690 1 18 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.101 -0.402 25969 11691 1 18 . 1 1 55 55 ILE H H 55 7.971 7.971 8.393 -0.422 25969 11692 1 18 . 1 1 56 56 ARG N N 56 122.445 122.445 120.882 1.563 25969 11693 1 18 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.714 -0.093 25969 11694 1 18 . 1 1 56 56 ARG C C 56 174.948 174.948 174.310 0.638 25969 11695 1 18 . 1 1 56 56 ARG CA C 56 53.467 53.467 54.031 -0.564 25969 11696 1 18 . 1 1 56 56 ARG CB C 56 36.410 36.410 34.928 1.482 25969 11697 1 18 . 1 1 56 56 ARG H H 56 8.927 8.927 8.002 0.925 25969 11698 1 18 . 1 1 57 57 MET N N 57 119.875 119.875 119.639 0.236 25969 11699 1 18 . 1 1 57 57 MET HA H 57 4.574 4.574 4.434 0.140 25969 11700 1 18 . 1 1 57 57 MET C C 57 175.845 175.845 176.040 -0.195 25969 11701 1 18 . 1 1 57 57 MET CA C 57 55.204 55.204 56.214 -1.010 25969 11702 1 18 . 1 1 57 57 MET CB C 57 32.162 32.162 33.967 -1.805 25969 11703 1 18 . 1 1 57 57 MET H H 57 9.022 9.022 8.665 0.357 25969 11704 1 18 . 1 1 58 58 SER N N 58 114.338 114.338 117.092 -2.754 25969 11705 1 18 . 1 1 58 58 SER HA H 58 5.138 5.138 4.356 0.782 25969 11706 1 18 . 1 1 58 58 SER C C 58 175.866 175.866 175.208 0.658 25969 11707 1 18 . 1 1 58 58 SER CA C 58 56.084 56.084 59.966 -3.882 25969 11708 1 18 . 1 1 58 58 SER CB C 58 63.977 63.977 64.018 -0.041 25969 11709 1 18 . 1 1 58 58 SER H H 58 8.559 8.559 8.519 0.040 25969 11710 1 18 . 1 1 59 59 GLY N N 59 116.880 116.880 107.936 8.944 25969 11711 1 18 . 1 1 59 59 GLY C C 59 172.257 172.257 173.975 -1.718 25969 11712 1 18 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.179 -1.477 25969 11713 1 18 . 1 1 59 59 GLY H H 59 8.919 8.919 8.001 0.918 25969 11714 1 18 . 1 1 60 60 GLN N N 60 121.745 121.745 119.724 2.021 25969 11715 1 18 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.542 -0.151 25969 11716 1 18 . 1 1 60 60 GLN C C 60 177.222 177.222 177.539 -0.317 25969 11717 1 18 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.605 -0.600 25969 11718 1 18 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.163 -0.321 25969 11719 1 18 . 1 1 60 60 GLN H H 60 8.575 8.575 8.459 0.116 25969 11720 1 18 . 1 1 61 61 ALA N N 61 128.305 128.305 128.268 0.037 25969 11721 1 18 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.914 -0.515 25969 11722 1 18 . 1 1 61 61 ALA C C 61 178.704 178.704 179.067 -0.363 25969 11723 1 18 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.880 0.409 25969 11724 1 18 . 1 1 61 61 ALA CB C 61 15.932 15.932 18.028 -2.096 25969 11725 1 18 . 1 1 61 61 ALA H H 61 8.576 8.576 8.252 0.324 25969 11726 1 18 . 1 1 62 62 LYS N N 62 114.337 114.337 118.089 -3.752 25969 11727 1 18 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.236 -0.060 25969 11728 1 18 . 1 1 62 62 LYS C C 62 177.327 177.327 176.690 0.637 25969 11729 1 18 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.290 0.786 25969 11730 1 18 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.615 -0.320 25969 11731 1 18 . 1 1 62 62 LYS H H 62 8.272 8.272 8.124 0.148 25969 11732 1 18 . 1 1 63 63 GLY N N 63 107.059 107.059 108.161 -1.102 25969 11733 1 18 . 1 1 63 63 GLY C C 63 173.759 173.759 173.504 0.255 25969 11734 1 18 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.649 0.136 25969 11735 1 18 . 1 1 63 63 GLY H H 63 7.813 7.813 8.017 -0.204 25969 11736 1 18 . 1 1 64 64 ILE N N 64 122.496 122.496 121.288 1.208 25969 11737 1 18 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.428 0.028 25969 11738 1 18 . 1 1 64 64 ILE C C 64 176.033 176.033 176.073 -0.040 25969 11739 1 18 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.768 0.775 25969 11740 1 18 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.328 -2.356 25969 11741 1 18 . 1 1 64 64 ILE H H 64 7.256 7.256 7.767 -0.511 25969 11742 1 18 . 1 1 65 65 LEU N N 65 128.858 128.858 124.235 4.623 25969 11743 1 18 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.152 0.102 25969 11744 1 18 . 1 1 65 65 LEU C C 65 178.203 178.203 175.987 2.216 25969 11745 1 18 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.498 -0.960 25969 11746 1 18 . 1 1 65 65 LEU CB C 65 42.536 42.536 41.915 0.621 25969 11747 1 18 . 1 1 65 65 LEU H H 65 8.417 8.417 8.561 -0.144 25969 11748 1 18 . 1 1 66 66 GLU N N 66 119.109 119.109 122.097 -2.988 25969 11749 1 18 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.679 -0.438 25969 11750 1 18 . 1 1 66 66 GLU C C 66 177.436 177.436 176.490 0.946 25969 11751 1 18 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.151 1.107 25969 11752 1 18 . 1 1 66 66 GLU CB C 66 29.099 29.099 32.095 -2.996 25969 11753 1 18 . 1 1 66 66 GLU H H 66 8.590 8.590 8.438 0.152 25969 11754 1 18 . 1 1 67 67 GLY N N 67 108.490 108.490 111.717 -3.227 25969 11755 1 18 . 1 1 67 67 GLY C C 67 173.551 173.551 173.497 0.054 25969 11756 1 18 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.605 0.516 25969 11757 1 18 . 1 1 67 67 GLY H H 67 9.498 9.498 8.831 0.667 25969 11758 1 18 . 1 1 68 68 LYS N N 68 117.773 117.773 119.475 -1.702 25969 11759 1 18 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.445 0.351 25969 11760 1 18 . 1 1 68 68 LYS C C 68 175.637 175.637 174.431 1.206 25969 11761 1 18 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.656 -0.387 25969 11762 1 18 . 1 1 68 68 LYS CB C 68 35.702 35.702 35.096 0.606 25969 11763 1 18 . 1 1 68 68 LYS H H 68 7.604 7.604 7.526 0.078 25969 11764 1 18 . 1 1 69 69 PHE N N 69 114.518 114.518 122.886 -8.368 25969 11765 1 18 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.549 -0.077 25969 11766 1 18 . 1 1 69 69 PHE C C 69 172.591 172.591 174.408 -1.817 25969 11767 1 18 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.493 3.585 25969 11768 1 18 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.715 0.662 25969 11769 1 18 . 1 1 69 69 PHE H H 69 8.439 8.439 8.532 -0.093 25969 11770 1 18 . 1 1 70 70 THR N N 70 115.260 115.260 117.714 -2.454 25969 11771 1 18 . 1 1 70 70 THR HA H 70 4.602 4.602 4.786 -0.184 25969 11772 1 18 . 1 1 70 70 THR C C 70 172.508 172.508 172.616 -0.108 25969 11773 1 18 . 1 1 70 70 THR CA C 70 62.484 62.484 61.461 1.023 25969 11774 1 18 . 1 1 70 70 THR CB C 70 71.367 71.367 72.002 -0.635 25969 11775 1 18 . 1 1 70 70 THR H H 70 8.474 8.474 8.459 0.015 25969 11776 1 18 . 1 1 71 71 LEU N N 71 128.144 128.144 122.923 5.221 25969 11777 1 18 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.805 -0.297 25969 11778 1 18 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.501 0.434 25969 11779 1 18 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.854 1.001 25969 11780 1 18 . 1 1 71 71 LEU H H 71 9.284 9.284 8.071 1.213 25969 11781 1 18 . 1 1 72 72 LYS N N 72 122.603 122.603 121.879 0.724 25969 11782 1 18 . 1 1 72 72 LYS HA H 72 5.388 5.388 4.953 0.435 25969 11783 1 18 . 1 1 72 72 LYS C C 72 171.972 171.972 175.020 -3.048 25969 11784 1 18 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.371 0.031 25969 11785 1 18 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.080 3.512 25969 11786 1 18 . 1 1 72 72 LYS H H 72 9.123 9.123 8.058 1.065 25969 11787 1 18 . 1 1 73 73 ALA N N 73 128.927 128.927 129.625 -0.698 25969 11788 1 18 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.228 0.623 25969 11789 1 18 . 1 1 73 73 ALA C C 73 175.324 175.324 175.781 -0.457 25969 11790 1 18 . 1 1 73 73 ALA CA C 73 49.126 49.126 50.211 -1.085 25969 11791 1 18 . 1 1 73 73 ALA CB C 73 21.476 21.476 21.426 0.050 25969 11792 1 18 . 1 1 73 73 ALA H H 73 9.178 9.178 8.841 0.337 25969 11793 1 18 . 1 1 74 74 VAL N N 74 123.425 123.425 121.257 2.168 25969 11794 1 18 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.034 0.105 25969 11795 1 18 . 1 1 74 74 VAL C C 74 173.425 173.425 174.360 -0.935 25969 11796 1 18 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.344 0.506 25969 11797 1 18 . 1 1 74 74 VAL CB C 74 35.768 35.768 36.188 -0.420 25969 11798 1 18 . 1 1 74 74 VAL H H 74 8.727 8.727 8.649 0.078 25969 11799 1 18 . 1 1 75 75 ALA N N 75 130.762 130.762 127.468 3.294 25969 11800 1 18 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.434 0.224 25969 11801 1 18 . 1 1 75 75 ALA C C 75 177.327 177.327 178.723 -1.396 25969 11802 1 18 . 1 1 75 75 ALA CA C 75 53.200 53.200 51.828 1.371 25969 11803 1 18 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.859 0.747 25969 11804 1 18 . 1 1 75 75 ALA H H 75 9.164 9.164 7.506 1.658 25969 11805 1 18 . 1 1 76 76 LEU N N 76 119.175 119.175 123.191 -4.016 25969 11806 1 18 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.065 -0.271 25969 11807 1 18 . 1 1 76 76 LEU C C 76 178.036 178.036 177.802 0.234 25969 11808 1 18 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.215 1.061 25969 11809 1 18 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.067 -0.221 25969 11810 1 18 . 1 1 76 76 LEU H H 76 8.269 8.269 8.808 -0.539 25969 11811 1 18 . 1 1 77 77 ASP N N 77 115.777 115.777 115.604 0.173 25969 11812 1 18 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.764 0.032 25969 11813 1 18 . 1 1 77 77 ASP C C 77 176.012 176.012 176.754 -0.742 25969 11814 1 18 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.978 -2.247 25969 11815 1 18 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.293 -0.117 25969 11816 1 18 . 1 1 77 77 ASP H H 77 7.715 7.715 8.194 -0.479 25969 11817 1 18 . 1 1 78 78 ARG N N 78 122.846 122.846 119.777 3.069 25969 11818 1 18 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.093 -0.010 25969 11819 1 18 . 1 1 78 78 ARG C C 78 177.869 177.869 176.839 1.030 25969 11820 1 18 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.335 -0.927 25969 11821 1 18 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.182 0.442 25969 11822 1 18 . 1 1 78 78 ARG H H 78 8.408 8.408 7.196 1.212 25969 11823 1 18 . 1 1 79 79 GLU N N 79 118.091 118.091 118.597 -0.506 25969 11824 1 18 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.053 -0.034 25969 11825 1 18 . 1 1 79 79 GLU C C 79 177.930 177.930 177.110 0.820 25969 11826 1 18 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.397 -0.073 25969 11827 1 18 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.275 -0.141 25969 11828 1 18 . 1 1 79 79 GLU H H 79 7.888 7.888 8.305 -0.417 25969 11829 1 18 . 1 1 80 80 ALA N N 80 120.528 120.528 118.873 1.655 25969 11830 1 18 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.452 -0.350 25969 11831 1 18 . 1 1 80 80 ALA C C 80 178.142 178.142 176.386 1.756 25969 11832 1 18 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.804 0.263 25969 11833 1 18 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.589 -1.317 25969 11834 1 18 . 1 1 80 80 ALA H H 80 7.175 7.175 8.097 -0.922 25969 11835 1 18 . 1 1 81 81 GLU N N 81 115.377 115.377 117.659 -2.282 25969 11836 1 18 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.812 -0.050 25969 11837 1 18 . 1 1 81 81 GLU C C 81 171.047 171.047 174.809 -3.762 25969 11838 1 18 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.744 -0.546 25969 11839 1 18 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.371 1.322 25969 11840 1 18 . 1 1 81 81 GLU H H 81 7.457 7.457 7.501 -0.044 25969 11841 1 18 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.166 0.531 25969 11842 1 18 . 1 1 82 82 PRO C C 82 177.636 177.636 176.945 0.691 25969 11843 1 18 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.665 -1.074 25969 11844 1 18 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.800 1.032 25969 11845 1 18 . 1 1 83 83 ARG N N 83 118.488 118.488 117.439 1.049 25969 11846 1 18 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.574 0.000 25969 11847 1 18 . 1 1 83 83 ARG C C 83 176.870 176.870 175.590 1.280 25969 11848 1 18 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.223 -0.179 25969 11849 1 18 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.727 0.449 25969 11850 1 18 . 1 1 83 83 ARG H H 83 8.554 8.554 8.140 0.414 25969 11851 1 18 . 1 1 84 84 VAL N N 84 111.376 111.376 120.233 -8.857 25969 11852 1 18 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.040 -0.013 25969 11853 1 18 . 1 1 84 84 VAL C C 84 174.302 174.302 174.516 -0.214 25969 11854 1 18 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.189 -0.646 25969 11855 1 18 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.239 0.451 25969 11856 1 18 . 1 1 84 84 VAL H H 84 8.304 8.304 8.270 0.034 25969 11857 1 18 . 1 1 85 85 LEU N N 85 122.000 122.000 122.497 -0.497 25969 11858 1 18 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.152 0.176 25969 11859 1 18 . 1 1 85 85 LEU C C 85 175.491 175.491 174.284 1.207 25969 11860 1 18 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.196 -0.330 25969 11861 1 18 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.772 0.350 25969 11862 1 18 . 1 1 85 85 LEU H H 85 8.095 8.095 8.916 -0.821 25969 11863 1 18 . 1 1 86 86 ARG N N 86 119.409 119.409 121.408 -1.999 25969 11864 1 18 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.270 0.200 25969 11865 1 18 . 1 1 86 86 ARG C C 86 174.928 174.928 173.416 1.512 25969 11866 1 18 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.793 -0.591 25969 11867 1 18 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.230 1.405 25969 11868 1 18 . 1 1 86 86 ARG H H 86 8.851 8.851 8.159 0.692 25969 11869 1 18 . 1 1 87 87 LEU N N 87 122.550 122.550 123.887 -1.337 25969 11870 1 18 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.073 0.001 25969 11871 1 18 . 1 1 87 87 LEU C C 87 174.406 174.406 174.299 0.107 25969 11872 1 18 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.906 1.098 25969 11873 1 18 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.426 1.698 25969 11874 1 18 . 1 1 87 87 LEU H H 87 8.798 8.798 8.091 0.707 25969 11875 1 18 . 1 1 88 88 ASN N N 88 125.347 125.347 123.731 1.616 25969 11876 1 18 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.433 -0.010 25969 11877 1 18 . 1 1 88 88 ASN C C 88 176.576 176.576 176.883 -0.307 25969 11878 1 18 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.281 -0.417 25969 11879 1 18 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.120 0.457 25969 11880 1 18 . 1 1 88 88 ASN H H 88 7.376 7.376 8.241 -0.865 25969 11881 1 18 . 1 1 89 89 GLU N N 89 114.953 114.953 118.437 -3.484 25969 11882 1 18 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.263 -0.867 25969 11883 1 18 . 1 1 89 89 GLU C C 89 176.684 176.684 176.709 -0.025 25969 11884 1 18 . 1 1 89 89 GLU CA C 89 58.540 58.540 59.086 -0.546 25969 11885 1 18 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.826 -0.956 25969 11886 1 18 . 1 1 89 89 GLU H H 89 7.586 7.586 8.384 -0.798 25969 11887 1 18 . 1 1 90 90 SER N N 90 117.110 117.110 114.187 2.923 25969 11888 1 18 . 1 1 90 90 SER HA H 90 4.442 4.442 4.486 -0.044 25969 11889 1 18 . 1 1 90 90 SER C C 90 174.051 174.051 174.651 -0.600 25969 11890 1 18 . 1 1 90 90 SER CA C 90 58.895 58.895 58.362 0.533 25969 11891 1 18 . 1 1 90 90 SER CB C 90 63.886 63.886 63.523 0.363 25969 11892 1 18 . 1 1 90 90 SER H H 90 7.385 7.385 7.724 -0.339 25969 11893 1 18 . 1 1 91 91 LEU N N 91 116.559 116.559 118.706 -2.147 25969 11894 1 18 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.023 -0.326 25969 11895 1 18 . 1 1 91 91 LEU C C 91 175.825 175.825 175.647 0.178 25969 11896 1 18 . 1 1 91 91 LEU CA C 91 56.042 56.042 56.098 -0.056 25969 11897 1 18 . 1 1 91 91 LEU CB C 91 37.705 37.705 38.503 -0.798 25969 11898 1 18 . 1 1 91 91 LEU H H 91 8.704 8.704 8.036 0.668 25969 11899 1 18 . 1 1 92 92 THR N N 92 115.529 115.529 115.847 -0.318 25969 11900 1 18 . 1 1 92 92 THR HA H 92 4.254 4.254 4.402 -0.148 25969 11901 1 18 . 1 1 92 92 THR C C 92 173.425 173.425 172.954 0.471 25969 11902 1 18 . 1 1 92 92 THR CA C 92 62.617 62.617 62.650 -0.033 25969 11903 1 18 . 1 1 92 92 THR CB C 92 69.096 69.096 69.748 -0.652 25969 11904 1 18 . 1 1 92 92 THR H H 92 7.704 7.704 8.494 -0.790 25969 11905 1 18 . 1 1 93 93 ALA N N 93 130.459 130.459 131.510 -1.051 25969 11906 1 18 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.357 0.330 25969 11907 1 18 . 1 1 93 93 ALA C C 93 177.201 177.201 175.504 1.697 25969 11908 1 18 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.593 0.669 25969 11909 1 18 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.012 -0.202 25969 11910 1 18 . 1 1 93 93 ALA H H 93 9.002 9.002 8.534 0.468 25969 11911 1 18 . 1 1 94 94 VAL N N 94 117.872 117.872 120.964 -3.092 25969 11912 1 18 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.808 0.096 25969 11913 1 18 . 1 1 94 94 VAL C C 94 173.613 173.613 173.719 -0.106 25969 11914 1 18 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.701 -1.022 25969 11915 1 18 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.348 -0.312 25969 11916 1 18 . 1 1 94 94 VAL H H 94 8.833 8.833 8.160 0.673 25969 11917 1 18 . 1 1 95 95 VAL N N 95 121.842 121.842 128.171 -6.329 25969 11918 1 18 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.883 0.370 25969 11919 1 18 . 1 1 95 95 VAL C C 95 174.552 174.552 173.699 0.853 25969 11920 1 18 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.563 -0.621 25969 11921 1 18 . 1 1 95 95 VAL CB C 95 34.900 34.900 33.942 0.958 25969 11922 1 18 . 1 1 95 95 VAL H H 95 9.286 9.286 8.722 0.564 25969 11923 1 18 . 1 1 96 96 CYS N N 96 126.839 126.839 123.990 2.849 25969 11924 1 18 . 1 1 96 96 CYS HA H 96 5.423 5.423 4.977 0.446 25969 11925 1 18 . 1 1 96 96 CYS C C 96 174.135 174.135 175.540 -1.405 25969 11926 1 18 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.955 -3.686 25969 11927 1 18 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.947 15.508 25969 11928 1 18 . 1 1 96 96 CYS H H 96 9.452 9.452 9.020 0.432 25969 11929 1 18 . 1 1 97 97 GLY N N 97 109.718 109.718 108.457 1.261 25969 11930 1 18 . 1 1 97 97 GLY C C 97 172.639 172.639 172.905 -0.266 25969 11931 1 18 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.222 1.166 25969 11932 1 18 . 1 1 97 97 GLY H H 97 8.355 8.355 8.802 -0.447 25969 11933 1 18 . 1 1 98 98 LYS N N 98 114.844 114.844 119.180 -4.336 25969 11934 1 18 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.551 0.193 25969 11935 1 18 . 1 1 98 98 LYS C C 98 174.051 174.051 174.431 -0.380 25969 11936 1 18 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.105 -0.769 25969 11937 1 18 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.350 0.178 25969 11938 1 18 . 1 1 98 98 LYS H H 98 7.632 7.632 7.700 -0.068 25969 11939 1 18 . 1 1 99 99 MET N N 99 124.801 124.801 127.161 -2.360 25969 11940 1 18 . 1 1 99 99 MET HA H 99 5.017 5.017 4.724 0.293 25969 11941 1 18 . 1 1 99 99 MET C C 99 176.337 176.337 174.539 1.798 25969 11942 1 18 . 1 1 99 99 MET CA C 99 54.803 54.803 55.244 -0.441 25969 11943 1 18 . 1 1 99 99 MET CB C 99 34.646 34.646 33.494 1.152 25969 11944 1 18 . 1 1 99 99 MET H H 99 8.759 8.759 8.689 0.070 25969 11945 1 18 . 1 1 100 100 LYS N N 100 126.252 126.252 125.372 0.880 25969 11946 1 18 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.340 0.036 25969 11947 1 18 . 1 1 100 100 LYS C C 100 177.222 177.222 177.242 -0.020 25969 11948 1 18 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.288 -0.834 25969 11949 1 18 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.139 -0.710 25969 11950 1 18 . 1 1 100 100 LYS H H 100 8.602 8.602 8.057 0.545 25969 11951 1 18 . 1 1 101 101 GLY N N 101 108.944 108.944 106.307 2.637 25969 11952 1 18 . 1 1 101 101 GLY C C 101 173.613 173.613 174.439 -0.826 25969 11953 1 18 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.455 0.130 25969 11954 1 18 . 1 1 101 101 GLY H H 101 8.385 8.385 7.579 0.806 25969 11955 1 18 . 1 1 102 102 LYS N N 102 118.594 118.594 119.756 -1.162 25969 11956 1 18 . 1 1 102 102 LYS HA H 102 4.414 4.414 3.935 0.479 25969 11957 1 18 . 1 1 102 102 LYS C C 102 176.867 176.867 176.864 0.003 25969 11958 1 18 . 1 1 102 102 LYS CA C 102 55.872 55.872 58.077 -2.205 25969 11959 1 18 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.627 1.396 25969 11960 1 18 . 1 1 102 102 LYS H H 102 8.436 8.436 7.868 0.568 25969 11961 1 18 . 1 1 103 103 GLY N N 103 110.581 110.581 108.895 1.686 25969 11962 1 18 . 1 1 103 103 GLY C C 103 171.631 171.631 172.385 -0.754 25969 11963 1 18 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.453 1.467 25969 11964 1 18 . 1 1 103 103 GLY H H 103 8.443 8.443 7.763 0.680 25969 11965 1 18 . 1 1 104 104 SER N N 104 113.710 113.710 116.691 -2.981 25969 11966 1 18 . 1 1 104 104 SER HA H 104 4.697 4.697 4.782 -0.085 25969 11967 1 18 . 1 1 104 104 SER C C 104 174.680 174.680 174.362 0.318 25969 11968 1 18 . 1 1 104 104 SER CA C 104 57.331 57.331 57.026 0.305 25969 11969 1 18 . 1 1 104 104 SER CB C 104 66.178 66.178 66.231 -0.053 25969 11970 1 18 . 1 1 104 104 SER H H 104 8.535 8.535 7.990 0.545 25969 11971 1 18 . 1 1 105 105 CYS N N 105 118.835 118.835 122.610 -3.775 25969 11972 1 18 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.307 0.305 25969 11973 1 18 . 1 1 105 105 CYS C C 105 176.502 176.502 176.123 0.379 25969 11974 1 18 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.109 -2.973 25969 11975 1 18 . 1 1 105 105 CYS CB C 105 40.412 40.412 26.799 13.613 25969 11976 1 18 . 1 1 105 105 CYS H H 105 10.009 10.009 9.064 0.945 25969 11977 1 18 . 1 1 106 106 THR N N 106 107.957 107.957 114.250 -6.293 25969 11978 1 18 . 1 1 106 106 THR HA H 106 4.574 4.574 3.915 0.659 25969 11979 1 18 . 1 1 106 106 THR C C 106 175.178 175.178 173.405 1.773 25969 11980 1 18 . 1 1 106 106 THR CA C 106 61.014 61.014 64.499 -3.485 25969 11981 1 18 . 1 1 106 106 THR CB C 106 68.495 68.495 68.021 0.474 25969 11982 1 18 . 1 1 106 106 THR H H 106 8.030 8.030 8.472 -0.442 25969 11983 1 18 . 1 1 107 107 ASP N N 107 120.763 120.763 118.081 2.682 25969 11984 1 18 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.688 -0.368 25969 11985 1 18 . 1 1 107 107 ASP C C 107 177.264 177.264 176.072 1.192 25969 11986 1 18 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.698 0.306 25969 11987 1 18 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.590 -2.745 25969 11988 1 18 . 1 1 107 107 ASP H H 107 7.531 7.531 8.003 -0.472 25969 11989 1 18 . 1 1 108 108 GLY N N 108 108.602 108.602 109.139 -0.537 25969 11990 1 18 . 1 1 108 108 GLY C C 108 174.698 174.698 173.399 1.299 25969 11991 1 18 . 1 1 108 108 GLY CA C 108 45.653 45.653 45.091 0.562 25969 11992 1 18 . 1 1 108 108 GLY H H 108 8.591 8.591 7.629 0.962 25969 11993 1 18 . 1 1 109 109 GLU N N 109 120.191 120.191 120.207 -0.016 25969 11994 1 18 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.192 0.260 25969 11995 1 18 . 1 1 109 109 GLU C C 109 176.472 176.472 176.063 0.409 25969 11996 1 18 . 1 1 109 109 GLU CA C 109 55.678 55.678 57.298 -1.620 25969 11997 1 18 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.275 0.609 25969 11998 1 18 . 1 1 109 109 GLU H H 109 8.292 8.292 8.279 0.013 25969 11999 1 18 . 1 1 110 110 GLU N N 110 116.857 116.857 123.294 -6.437 25969 12000 1 18 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.311 -0.095 25969 12001 1 18 . 1 1 110 110 GLU C C 110 176.381 176.381 175.671 0.710 25969 12002 1 18 . 1 1 110 110 GLU CA C 110 57.136 57.136 57.673 -0.537 25969 12003 1 18 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.218 0.055 25969 12004 1 18 . 1 1 110 110 GLU H H 110 9.028 9.028 8.660 0.368 25969 12005 1 18 . 1 1 111 111 ILE N N 111 109.164 109.164 111.029 -1.865 25969 12006 1 18 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.715 0.120 25969 12007 1 18 . 1 1 111 111 ILE C C 111 176.868 176.868 174.819 2.049 25969 12008 1 18 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.135 0.007 25969 12009 1 18 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.213 1.902 25969 12010 1 18 . 1 1 111 111 ILE H H 111 7.022 7.022 7.203 -0.181 25969 12011 1 18 . 1 1 112 112 PHE N N 112 118.509 118.509 123.383 -4.874 25969 12012 1 18 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.904 0.208 25969 12013 1 18 . 1 1 112 112 PHE C C 112 174.171 174.171 173.626 0.545 25969 12014 1 18 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.623 2.168 25969 12015 1 18 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.640 3.219 25969 12016 1 18 . 1 1 112 112 PHE H H 112 8.605 8.605 7.995 0.610 25969 12017 1 18 . 1 1 113 113 ARG N N 113 119.908 119.908 124.098 -4.190 25969 12018 1 18 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.433 0.339 25969 12019 1 18 . 1 1 113 113 ARG C C 113 176.930 176.930 176.037 0.893 25969 12020 1 18 . 1 1 113 113 ARG CA C 113 55.404 55.404 53.884 1.520 25969 12021 1 18 . 1 1 113 113 ARG CB C 113 33.431 33.431 31.415 2.016 25969 12022 1 18 . 1 1 113 113 ARG H H 113 9.352 9.352 7.532 1.820 25969 12023 1 18 . 1 1 114 114 GLY N N 114 109.477 109.477 112.725 -3.248 25969 12024 1 18 . 1 1 114 114 GLY C C 114 173.738 173.738 173.985 -0.247 25969 12025 1 18 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.854 -1.403 25969 12026 1 18 . 1 1 114 114 GLY H H 114 8.467 8.467 8.521 -0.054 25969 12027 1 18 . 1 1 115 115 ASN N N 115 119.193 119.193 120.492 -1.299 25969 12028 1 18 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.782 -0.048 25969 12029 1 18 . 1 1 115 115 ASN C C 115 173.530 173.530 173.841 -0.311 25969 12030 1 18 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.983 -0.250 25969 12031 1 18 . 1 1 115 115 ASN CB C 115 39.642 39.642 40.214 -0.572 25969 12032 1 18 . 1 1 115 115 ASN H H 115 8.523 8.523 8.505 0.018 25969 12033 1 18 . 1 1 116 116 ASP N N 116 120.602 120.602 119.474 1.128 25969 12034 1 18 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.121 -0.038 25969 12035 1 18 . 1 1 116 116 ASP C C 116 174.030 174.030 174.741 -0.711 25969 12036 1 18 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.721 1.548 25969 12037 1 18 . 1 1 116 116 ASP CB C 116 43.983 43.983 42.317 1.666 25969 12038 1 18 . 1 1 116 116 ASP H H 116 8.098 8.098 7.910 0.188 25969 12039 1 18 . 1 1 117 117 ALA N N 117 123.146 123.146 120.862 2.284 25969 12040 1 18 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.529 0.187 25969 12041 1 18 . 1 1 117 117 ALA C C 117 175.345 175.345 176.155 -0.810 25969 12042 1 18 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.748 -0.286 25969 12043 1 18 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.325 1.820 25969 12044 1 18 . 1 1 117 117 ALA H H 117 8.979 8.979 8.342 0.637 25969 12045 1 18 . 1 1 118 118 GLU N N 118 115.917 115.917 116.149 -0.232 25969 12046 1 18 . 1 1 118 118 GLU HA H 118 3.895 3.895 4.000 -0.105 25969 12047 1 18 . 1 1 118 118 GLU C C 118 177.181 177.181 174.784 2.397 25969 12048 1 18 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.395 -1.037 25969 12049 1 18 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.342 -0.590 25969 12050 1 18 . 1 1 118 118 GLU H H 118 8.829 8.829 8.743 0.086 25969 12051 1 18 . 1 1 119 119 CYS N N 119 119.476 119.476 117.116 2.360 25969 12052 1 18 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.338 0.132 25969 12053 1 18 . 1 1 119 119 CYS C C 119 174.738 174.738 174.583 0.155 25969 12054 1 18 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.254 -1.090 25969 12055 1 18 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.468 12.990 25969 12056 1 18 . 1 1 119 119 CYS H H 119 8.671 8.671 8.140 0.531 25969 12057 1 18 . 1 1 120 120 ARG N N 120 123.444 123.444 121.724 1.720 25969 12058 1 18 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.019 -0.094 25969 12059 1 18 . 1 1 120 120 ARG C C 120 172.028 172.028 173.192 -1.164 25969 12060 1 18 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.094 0.573 25969 12061 1 18 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.783 0.778 25969 12062 1 18 . 1 1 120 120 ARG H H 120 9.238 9.238 9.206 0.032 25969 12063 1 18 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.706 -0.160 25969 12064 1 18 . 1 1 121 121 PRO C C 121 176.138 176.138 175.461 0.677 25969 12065 1 18 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.102 0.917 25969 12066 1 18 . 1 1 121 121 PRO CB C 121 32.162 32.162 32.029 0.133 25969 12067 1 18 . 1 1 122 122 PHE N N 122 124.392 124.392 125.128 -0.736 25969 12068 1 18 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.797 -0.091 25969 12069 1 18 . 1 1 122 122 PHE C C 122 175.032 175.032 174.240 0.792 25969 12070 1 18 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.335 1.073 25969 12071 1 18 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.852 -2.475 25969 12072 1 18 . 1 1 122 122 PHE H H 122 8.335 8.335 8.742 -0.407 25969 12073 1 18 . 1 1 123 123 THR N N 123 118.912 118.912 113.217 5.695 25969 12074 1 18 . 1 1 123 123 THR HA H 123 4.140 4.140 4.588 -0.448 25969 12075 1 18 . 1 1 123 123 THR C C 123 173.071 173.071 174.289 -1.218 25969 12076 1 18 . 1 1 123 123 THR CA C 123 60.948 60.948 59.841 1.107 25969 12077 1 18 . 1 1 123 123 THR CB C 123 69.430 69.430 69.726 -0.296 25969 12078 1 18 . 1 1 123 123 THR H H 123 8.146 8.146 7.913 0.233 25969 12079 1 19 . 1 1 7 7 ARG N N 7 122.494 122.494 120.975 1.519 25969 12080 1 19 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.342 0.008 25969 12081 1 19 . 1 1 7 7 ARG C C 7 177.037 177.037 175.170 1.867 25969 12082 1 19 . 1 1 7 7 ARG CA C 7 56.724 56.724 55.974 0.750 25969 12083 1 19 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.366 -0.485 25969 12084 1 19 . 1 1 7 7 ARG H H 7 8.649 8.649 8.167 0.482 25969 12085 1 19 . 1 1 8 8 SER N N 8 117.535 117.535 118.025 -0.490 25969 12086 1 19 . 1 1 8 8 SER HA H 8 4.384 4.384 4.323 0.061 25969 12087 1 19 . 1 1 8 8 SER C C 8 174.613 174.613 174.755 -0.142 25969 12088 1 19 . 1 1 8 8 SER CA C 8 59.412 59.412 59.379 0.033 25969 12089 1 19 . 1 1 8 8 SER CB C 8 63.686 63.686 62.397 1.290 25969 12090 1 19 . 1 1 8 8 SER H H 8 8.522 8.522 8.295 0.227 25969 12091 1 19 . 1 1 9 9 ALA N N 9 126.336 126.336 127.966 -1.630 25969 12092 1 19 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.490 -0.025 25969 12093 1 19 . 1 1 9 9 ALA C C 9 178.349 178.349 178.652 -0.303 25969 12094 1 19 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.405 0.662 25969 12095 1 19 . 1 1 9 9 ALA CB C 9 18.914 18.914 20.119 -1.205 25969 12096 1 19 . 1 1 9 9 ALA H H 9 8.415 8.415 7.436 0.979 25969 12097 1 19 . 1 1 10 10 ASN N N 10 121.438 121.438 118.369 3.069 25969 12098 1 19 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.753 -0.067 25969 12099 1 19 . 1 1 10 10 ASN C C 10 175.571 175.571 175.752 -0.181 25969 12100 1 19 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.995 -0.747 25969 12101 1 19 . 1 1 10 10 ASN CB C 10 39.125 39.125 37.147 1.978 25969 12102 1 19 . 1 1 10 10 ASN H H 10 9.263 9.263 9.249 0.014 25969 12103 1 19 . 1 1 11 11 LEU N N 11 125.021 125.021 120.457 4.564 25969 12104 1 19 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.948 0.673 25969 12105 1 19 . 1 1 11 11 LEU C C 11 178.567 178.567 177.672 0.895 25969 12106 1 19 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.357 1.529 25969 12107 1 19 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.131 1.129 25969 12108 1 19 . 1 1 11 11 LEU H H 11 8.560 8.560 7.891 0.669 25969 12109 1 19 . 1 1 12 12 ARG N N 12 117.977 117.977 118.068 -0.091 25969 12110 1 19 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.174 -0.040 25969 12111 1 19 . 1 1 12 12 ARG C C 12 179.350 179.350 178.348 1.002 25969 12112 1 19 . 1 1 12 12 ARG CA C 12 60.347 60.347 57.729 2.618 25969 12113 1 19 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.736 0.955 25969 12114 1 19 . 1 1 12 12 ARG H H 12 8.114 8.114 8.262 -0.148 25969 12115 1 19 . 1 1 13 13 ALA N N 13 123.280 123.280 121.744 1.536 25969 12116 1 19 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.288 -0.075 25969 12117 1 19 . 1 1 13 13 ALA C C 13 180.957 180.957 179.277 1.680 25969 12118 1 19 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.444 -0.042 25969 12119 1 19 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.364 -0.495 25969 12120 1 19 . 1 1 13 13 ALA H H 13 7.871 7.871 7.881 -0.010 25969 12121 1 19 . 1 1 14 14 ALA N N 14 122.111 122.111 121.264 0.847 25969 12122 1 19 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.948 -0.243 25969 12123 1 19 . 1 1 14 14 ALA C C 14 178.578 178.578 178.794 -0.216 25969 12124 1 19 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.380 1.024 25969 12125 1 19 . 1 1 14 14 ALA CB C 14 17.260 17.260 18.059 -0.799 25969 12126 1 19 . 1 1 14 14 ALA H H 14 7.930 7.930 7.283 0.647 25969 12127 1 19 . 1 1 15 15 HIS N N 15 118.502 118.502 117.506 0.996 25969 12128 1 19 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.169 -0.393 25969 12129 1 19 . 1 1 15 15 HIS C C 15 176.304 176.304 177.324 -1.020 25969 12130 1 19 . 1 1 15 15 HIS CA C 15 60.031 60.031 60.012 0.019 25969 12131 1 19 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.714 1.656 25969 12132 1 19 . 1 1 15 15 HIS H H 15 8.422 8.422 8.756 -0.334 25969 12133 1 19 . 1 1 16 16 ALA N N 16 120.116 120.116 119.753 0.363 25969 12134 1 19 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.322 -0.468 25969 12135 1 19 . 1 1 16 16 ALA C C 16 180.644 180.644 178.828 1.816 25969 12136 1 19 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.881 1.590 25969 12137 1 19 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.733 -0.931 25969 12138 1 19 . 1 1 16 16 ALA H H 16 7.980 7.980 7.733 0.247 25969 12139 1 19 . 1 1 17 17 ALA N N 17 121.281 121.281 123.243 -1.962 25969 12140 1 19 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.053 0.123 25969 12141 1 19 . 1 1 17 17 ALA C C 17 180.122 180.122 179.236 0.886 25969 12142 1 19 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.951 -0.482 25969 12143 1 19 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.521 1.619 25969 12144 1 19 . 1 1 17 17 ALA H H 17 7.465 7.465 7.526 -0.061 25969 12145 1 19 . 1 1 18 18 LEU N N 18 120.262 120.262 118.200 2.062 25969 12146 1 19 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.197 -0.390 25969 12147 1 19 . 1 1 18 18 LEU C C 18 178.766 178.766 179.570 -0.804 25969 12148 1 19 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.404 1.340 25969 12149 1 19 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.940 0.771 25969 12150 1 19 . 1 1 18 18 LEU H H 18 8.468 8.468 8.558 -0.090 25969 12151 1 19 . 1 1 19 19 LEU N N 19 119.078 119.078 121.259 -2.181 25969 12152 1 19 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.195 -0.333 25969 12153 1 19 . 1 1 19 19 LEU C C 19 179.517 179.517 178.478 1.039 25969 12154 1 19 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.588 -0.579 25969 12155 1 19 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.087 0.358 25969 12156 1 19 . 1 1 19 19 LEU H H 19 8.029 8.029 7.532 0.497 25969 12157 1 19 . 1 1 20 20 GLU N N 20 121.499 121.499 119.863 1.636 25969 12158 1 19 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.040 -0.013 25969 12159 1 19 . 1 1 20 20 GLU C C 20 180.289 180.289 179.441 0.848 25969 12160 1 19 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.437 0.442 25969 12161 1 19 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.324 -0.034 25969 12162 1 19 . 1 1 20 20 GLU H H 20 7.895 7.895 8.635 -0.740 25969 12163 1 19 . 1 1 21 21 ASN N N 21 119.066 119.066 117.413 1.653 25969 12164 1 19 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.603 -0.065 25969 12165 1 19 . 1 1 21 21 ASN C C 21 177.368 177.368 177.080 0.288 25969 12166 1 19 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.452 0.420 25969 12167 1 19 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.786 1.658 25969 12168 1 19 . 1 1 21 21 ASN H H 21 8.373 8.373 8.492 -0.119 25969 12169 1 19 . 1 1 22 22 ALA N N 22 125.274 125.274 123.601 1.673 25969 12170 1 19 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.001 -0.228 25969 12171 1 19 . 1 1 22 22 ALA C C 22 179.402 179.402 179.553 -0.151 25969 12172 1 19 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.185 0.286 25969 12173 1 19 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.842 -0.622 25969 12174 1 19 . 1 1 22 22 ALA H H 22 8.886 8.886 8.381 0.505 25969 12175 1 19 . 1 1 23 23 ARG N N 23 119.945 119.945 117.410 2.535 25969 12176 1 19 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.112 0.085 25969 12177 1 19 . 1 1 23 23 ARG C C 23 179.726 179.726 178.295 1.431 25969 12178 1 19 . 1 1 23 23 ARG CA C 23 59.812 59.812 59.045 0.767 25969 12179 1 19 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.816 -0.125 25969 12180 1 19 . 1 1 23 23 ARG H H 23 8.168 8.168 8.522 -0.354 25969 12181 1 19 . 1 1 24 24 PHE N N 24 121.222 121.222 120.614 0.608 25969 12182 1 19 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.333 0.034 25969 12183 1 19 . 1 1 24 24 PHE C C 24 177.410 177.410 177.789 -0.379 25969 12184 1 19 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.663 -0.315 25969 12185 1 19 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.057 -1.151 25969 12186 1 19 . 1 1 24 24 PHE H H 24 7.658 7.658 7.768 -0.110 25969 12187 1 19 . 1 1 25 25 MET N N 25 120.355 120.355 117.734 2.621 25969 12188 1 19 . 1 1 25 25 MET HA H 25 4.300 4.300 4.485 -0.185 25969 12189 1 19 . 1 1 25 25 MET C C 25 179.371 179.371 178.268 1.103 25969 12190 1 19 . 1 1 25 25 MET CA C 25 55.939 55.939 56.622 -0.683 25969 12191 1 19 . 1 1 25 25 MET CB C 25 29.424 29.424 31.142 -1.718 25969 12192 1 19 . 1 1 25 25 MET H H 25 8.358 8.358 8.509 -0.151 25969 12193 1 19 . 1 1 26 26 GLU N N 26 120.164 120.164 119.840 0.324 25969 12194 1 19 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.196 0.142 25969 12195 1 19 . 1 1 26 26 GLU C C 26 179.934 179.934 179.499 0.435 25969 12196 1 19 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.573 0.480 25969 12197 1 19 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.148 0.335 25969 12198 1 19 . 1 1 26 26 GLU H H 26 8.441 8.441 8.549 -0.108 25969 12199 1 19 . 1 1 27 27 GLN N N 27 121.309 121.309 118.098 3.211 25969 12200 1 19 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.292 -0.160 25969 12201 1 19 . 1 1 27 27 GLN C C 27 178.307 178.307 178.206 0.101 25969 12202 1 19 . 1 1 27 27 GLN CA C 27 58.610 58.610 57.403 1.207 25969 12203 1 19 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.951 -0.863 25969 12204 1 19 . 1 1 27 27 GLN H H 27 8.001 8.001 7.987 0.014 25969 12205 1 19 . 1 1 28 28 PHE N N 28 124.569 124.569 122.369 2.200 25969 12206 1 19 . 1 1 28 28 PHE HA H 28 3.814 3.814 4.158 -0.344 25969 12207 1 19 . 1 1 28 28 PHE C C 28 177.717 177.717 177.541 0.176 25969 12208 1 19 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.341 0.851 25969 12209 1 19 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.141 0.202 25969 12210 1 19 . 1 1 28 28 PHE H H 28 8.760 8.760 8.459 0.301 25969 12211 1 19 . 1 1 29 29 TYR N N 29 121.726 121.726 120.023 1.703 25969 12212 1 19 . 1 1 29 29 TYR HA H 29 3.795 3.795 3.890 -0.095 25969 12213 1 19 . 1 1 29 29 TYR C C 29 179.079 179.079 176.789 2.290 25969 12214 1 19 . 1 1 29 29 TYR CA C 29 60.948 60.948 60.806 0.142 25969 12215 1 19 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.361 0.346 25969 12216 1 19 . 1 1 29 29 TYR H H 29 8.956 8.956 8.674 0.282 25969 12217 1 19 . 1 1 30 30 ALA N N 30 121.142 121.142 119.803 1.339 25969 12218 1 19 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.156 -0.108 25969 12219 1 19 . 1 1 30 30 ALA C C 30 174.781 174.781 178.395 -3.614 25969 12220 1 19 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.148 0.722 25969 12221 1 19 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.219 -0.350 25969 12222 1 19 . 1 1 30 30 ALA H H 30 8.063 8.063 7.702 0.361 25969 12223 1 19 . 1 1 31 31 LYS N N 31 114.745 114.745 116.022 -1.277 25969 12224 1 19 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.251 -0.063 25969 12225 1 19 . 1 1 31 31 LYS C C 31 177.744 177.744 177.345 0.399 25969 12226 1 19 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.616 -0.208 25969 12227 1 19 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.490 -0.315 25969 12228 1 19 . 1 1 31 31 LYS H H 31 7.172 7.172 7.890 -0.718 25969 12229 1 19 . 1 1 32 32 LYS N N 32 117.388 117.388 116.960 0.428 25969 12230 1 19 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.216 -0.103 25969 12231 1 19 . 1 1 32 32 LYS C C 32 177.747 177.747 176.538 1.209 25969 12232 1 19 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.157 -0.352 25969 12233 1 19 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.286 -0.388 25969 12234 1 19 . 1 1 32 32 LYS H H 32 8.154 8.154 7.700 0.454 25969 12235 1 19 . 1 1 33 33 GLY N N 33 109.017 109.017 106.573 2.444 25969 12236 1 19 . 1 1 33 33 GLY C C 33 171.798 171.798 172.966 -1.168 25969 12237 1 19 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.040 0.611 25969 12238 1 19 . 1 1 33 33 GLY H H 33 8.945 8.945 7.709 1.236 25969 12239 1 19 . 1 1 34 34 SER N N 34 110.165 110.165 113.714 -3.549 25969 12240 1 19 . 1 1 34 34 SER HA H 34 4.136 4.136 4.849 -0.713 25969 12241 1 19 . 1 1 34 34 SER C C 34 172.862 172.862 172.896 -0.034 25969 12242 1 19 . 1 1 34 34 SER CA C 34 56.673 56.673 57.280 -0.607 25969 12243 1 19 . 1 1 34 34 SER CB C 34 64.621 64.621 66.160 -1.540 25969 12244 1 19 . 1 1 34 34 SER H H 34 6.756 6.756 7.156 -0.400 25969 12245 1 19 . 1 1 35 35 PHE N N 35 121.132 121.132 119.691 1.441 25969 12246 1 19 . 1 1 35 35 PHE HA H 35 5.114 5.114 5.208 -0.094 25969 12247 1 19 . 1 1 35 35 PHE C C 35 172.888 172.888 175.873 -2.985 25969 12248 1 19 . 1 1 35 35 PHE CA C 35 59.260 59.260 59.123 0.137 25969 12249 1 19 . 1 1 35 35 PHE CB C 35 40.488 40.488 41.205 -0.717 25969 12250 1 19 . 1 1 35 35 PHE H H 35 9.403 9.403 8.946 0.457 25969 12251 1 19 . 1 1 36 36 LYS N N 36 114.841 114.841 121.409 -6.568 25969 12252 1 19 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.613 -0.229 25969 12253 1 19 . 1 1 36 36 LYS C C 36 177.118 177.118 175.709 1.409 25969 12254 1 19 . 1 1 36 36 LYS CA C 36 56.272 56.272 55.589 0.683 25969 12255 1 19 . 1 1 36 36 LYS CB C 36 33.097 33.097 34.278 -1.181 25969 12256 1 19 . 1 1 36 36 LYS H H 36 8.536 8.536 8.078 0.458 25969 12257 1 19 . 1 1 37 37 LEU N N 37 124.789 124.789 117.985 6.804 25969 12258 1 19 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.790 -0.340 25969 12259 1 19 . 1 1 37 37 LEU C C 37 177.535 177.535 176.448 1.087 25969 12260 1 19 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.293 2.449 25969 12261 1 19 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.724 1.528 25969 12262 1 19 . 1 1 37 37 LEU H H 37 8.503 8.503 8.430 0.073 25969 12263 1 19 . 1 1 38 38 THR N N 38 108.556 108.556 111.820 -3.264 25969 12264 1 19 . 1 1 38 38 THR HA H 38 4.619 4.619 4.507 0.112 25969 12265 1 19 . 1 1 38 38 THR C C 38 173.947 173.947 173.337 0.610 25969 12266 1 19 . 1 1 38 38 THR CA C 38 58.944 58.944 60.260 -1.315 25969 12267 1 19 . 1 1 38 38 THR CB C 38 71.818 71.818 70.537 1.282 25969 12268 1 19 . 1 1 38 38 THR H H 38 8.189 8.189 7.450 0.739 25969 12269 1 19 . 1 1 39 39 SER N N 39 110.757 110.757 116.389 -5.632 25969 12270 1 19 . 1 1 39 39 SER HA H 39 4.057 4.057 4.530 -0.473 25969 12271 1 19 . 1 1 39 39 SER C C 39 174.904 174.904 174.630 0.274 25969 12272 1 19 . 1 1 39 39 SER CA C 39 60.938 60.938 58.601 2.337 25969 12273 1 19 . 1 1 39 39 SER CB C 39 63.218 63.218 63.782 -0.564 25969 12274 1 19 . 1 1 39 39 SER H H 39 8.590 8.590 8.370 0.220 25969 12275 1 19 . 1 1 40 40 THR N N 40 129.807 129.807 113.165 16.642 25969 12276 1 19 . 1 1 40 40 THR HA H 40 4.453 4.453 3.832 0.621 25969 12277 1 19 . 1 1 40 40 THR C C 40 174.928 174.928 173.084 1.844 25969 12278 1 19 . 1 1 40 40 THR CA C 40 60.351 60.351 62.337 -1.986 25969 12279 1 19 . 1 1 40 40 THR CB C 40 69.910 69.910 66.957 2.953 25969 12280 1 19 . 1 1 40 40 THR H H 40 7.570 7.570 8.275 -0.705 25969 12281 1 19 . 1 1 41 41 LYS N N 41 125.614 125.614 118.526 7.088 25969 12282 1 19 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.630 0.082 25969 12283 1 19 . 1 1 41 41 LYS C C 41 174.907 174.907 174.367 0.540 25969 12284 1 19 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.368 1.370 25969 12285 1 19 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.337 1.705 25969 12286 1 19 . 1 1 41 41 LYS H H 41 7.425 7.425 7.677 -0.252 25969 12287 1 19 . 1 1 42 42 TRP N N 42 124.827 124.827 122.261 2.566 25969 12288 1 19 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.120 -0.018 25969 12289 1 19 . 1 1 42 42 TRP C C 42 173.384 173.384 174.552 -1.168 25969 12290 1 19 . 1 1 42 42 TRP CA C 42 54.402 54.402 53.320 1.082 25969 12291 1 19 . 1 1 42 42 TRP CB C 42 29.891 29.891 30.184 -0.293 25969 12292 1 19 . 1 1 42 42 TRP H H 42 8.590 8.590 8.602 -0.012 25969 12293 1 19 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.465 -0.018 25969 12294 1 19 . 1 1 43 43 PRO C C 43 174.990 174.990 175.965 -0.975 25969 12295 1 19 . 1 1 43 43 PRO CA C 43 62.551 62.551 63.000 -0.449 25969 12296 1 19 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.344 -0.249 25969 12297 1 19 . 1 1 44 44 GLU N N 44 120.080 120.080 125.253 -5.173 25969 12298 1 19 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.098 -0.133 25969 12299 1 19 . 1 1 44 44 GLU C C 44 175.699 175.699 175.700 -0.001 25969 12300 1 19 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.615 -0.409 25969 12301 1 19 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.726 -1.144 25969 12302 1 19 . 1 1 44 44 GLU H H 44 8.134 8.134 8.481 -0.347 25969 12303 1 19 . 1 1 45 45 LEU N N 45 125.972 125.972 124.131 1.841 25969 12304 1 19 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.628 -0.665 25969 12305 1 19 . 1 1 45 45 LEU C C 45 176.242 176.242 174.885 1.357 25969 12306 1 19 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.598 -0.867 25969 12307 1 19 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.793 -0.481 25969 12308 1 19 . 1 1 45 45 LEU H H 45 8.363 8.363 8.259 0.104 25969 12309 1 19 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.090 0.084 25969 12310 1 19 . 1 1 46 46 PRO C C 46 177.702 177.702 175.936 1.766 25969 12311 1 19 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.484 0.336 25969 12312 1 19 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.794 -0.233 25969 12313 1 19 . 1 1 47 47 VAL N N 47 119.474 119.474 118.666 0.808 25969 12314 1 19 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.935 0.300 25969 12315 1 19 . 1 1 47 47 VAL C C 47 175.178 175.178 175.282 -0.104 25969 12316 1 19 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.495 -0.479 25969 12317 1 19 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.294 -0.145 25969 12318 1 19 . 1 1 47 47 VAL H H 47 7.836 7.836 8.055 -0.219 25969 12319 1 19 . 1 1 48 48 LYS N N 48 124.385 124.385 124.149 0.236 25969 12320 1 19 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.600 -0.291 25969 12321 1 19 . 1 1 48 48 LYS C C 48 176.534 176.534 175.596 0.938 25969 12322 1 19 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.202 0.939 25969 12323 1 19 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.675 0.157 25969 12324 1 19 . 1 1 48 48 LYS H H 48 8.638 8.638 8.360 0.278 25969 12325 1 19 . 1 1 49 49 GLU N N 49 118.262 118.262 118.369 -0.107 25969 12326 1 19 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.566 0.665 25969 12327 1 19 . 1 1 49 49 GLU C C 49 174.552 174.552 174.376 0.176 25969 12328 1 19 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.814 -0.543 25969 12329 1 19 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.685 1.612 25969 12330 1 19 . 1 1 49 49 GLU H H 49 7.473 7.473 7.751 -0.278 25969 12331 1 19 . 1 1 50 50 ALA N N 50 124.186 124.186 127.981 -3.795 25969 12332 1 19 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.636 -0.185 25969 12333 1 19 . 1 1 50 50 ALA C C 50 177.890 177.890 177.605 0.285 25969 12334 1 19 . 1 1 50 50 ALA CA C 50 53.133 53.133 51.528 1.605 25969 12335 1 19 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.235 3.378 25969 12336 1 19 . 1 1 50 50 ALA H H 50 8.902 8.902 8.791 0.111 25969 12337 1 19 . 1 1 51 51 GLY N N 51 109.041 109.041 105.255 3.786 25969 12338 1 19 . 1 1 51 51 GLY C C 51 173.759 173.759 174.918 -1.159 25969 12339 1 19 . 1 1 51 51 GLY CA C 51 47.657 47.657 46.645 1.012 25969 12340 1 19 . 1 1 51 51 GLY H H 51 9.113 9.113 8.772 0.341 25969 12341 1 19 . 1 1 52 52 GLY N N 52 104.272 104.272 105.194 -0.922 25969 12342 1 19 . 1 1 52 52 GLY C C 52 174.156 174.156 173.001 1.155 25969 12343 1 19 . 1 1 52 52 GLY CA C 52 45.520 45.520 45.101 0.419 25969 12344 1 19 . 1 1 52 52 GLY H H 52 8.873 8.873 8.312 0.561 25969 12345 1 19 . 1 1 53 53 PHE N N 53 120.324 120.324 119.671 0.653 25969 12346 1 19 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.277 -0.120 25969 12347 1 19 . 1 1 53 53 PHE C C 53 175.574 175.574 174.209 1.365 25969 12348 1 19 . 1 1 53 53 PHE CA C 53 56.940 56.940 55.458 1.482 25969 12349 1 19 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.163 -1.784 25969 12350 1 19 . 1 1 53 53 PHE H H 53 8.278 8.278 7.599 0.679 25969 12351 1 19 . 1 1 54 54 CYS N N 54 116.465 116.465 120.369 -3.904 25969 12352 1 19 . 1 1 54 54 CYS HA H 54 5.660 5.660 4.757 0.903 25969 12353 1 19 . 1 1 54 54 CYS C C 54 173.092 173.092 172.978 0.114 25969 12354 1 19 . 1 1 54 54 CYS CA C 54 54.997 54.997 58.652 -3.655 25969 12355 1 19 . 1 1 54 54 CYS CB C 54 44.496 44.496 28.643 15.853 25969 12356 1 19 . 1 1 54 54 CYS H H 54 9.911 9.911 9.036 0.875 25969 12357 1 19 . 1 1 55 55 ILE N N 55 119.910 119.910 125.787 -5.877 25969 12358 1 19 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.100 0.211 25969 12359 1 19 . 1 1 55 55 ILE C C 55 175.366 175.366 175.319 0.047 25969 12360 1 19 . 1 1 55 55 ILE CA C 55 60.480 60.480 59.868 0.612 25969 12361 1 19 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.542 -0.843 25969 12362 1 19 . 1 1 55 55 ILE H H 55 7.971 7.971 8.640 -0.669 25969 12363 1 19 . 1 1 56 56 ARG N N 56 122.445 122.445 121.350 1.095 25969 12364 1 19 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.701 -0.080 25969 12365 1 19 . 1 1 56 56 ARG C C 56 174.948 174.948 174.185 0.763 25969 12366 1 19 . 1 1 56 56 ARG CA C 56 53.467 53.467 54.264 -0.797 25969 12367 1 19 . 1 1 56 56 ARG CB C 56 36.410 36.410 34.989 1.421 25969 12368 1 19 . 1 1 56 56 ARG H H 56 8.927 8.927 8.147 0.780 25969 12369 1 19 . 1 1 57 57 MET N N 57 119.875 119.875 120.877 -1.002 25969 12370 1 19 . 1 1 57 57 MET HA H 57 4.574 4.574 4.412 0.162 25969 12371 1 19 . 1 1 57 57 MET C C 57 175.845 175.845 175.895 -0.050 25969 12372 1 19 . 1 1 57 57 MET CA C 57 55.204 55.204 56.017 -0.812 25969 12373 1 19 . 1 1 57 57 MET CB C 57 32.162 32.162 33.811 -1.649 25969 12374 1 19 . 1 1 57 57 MET H H 57 9.022 9.022 8.722 0.300 25969 12375 1 19 . 1 1 58 58 SER N N 58 114.338 114.338 116.376 -2.038 25969 12376 1 19 . 1 1 58 58 SER HA H 58 5.138 5.138 4.313 0.825 25969 12377 1 19 . 1 1 58 58 SER C C 58 175.866 175.866 175.163 0.703 25969 12378 1 19 . 1 1 58 58 SER CA C 58 56.084 56.084 59.403 -3.319 25969 12379 1 19 . 1 1 58 58 SER CB C 58 63.977 63.977 63.980 -0.003 25969 12380 1 19 . 1 1 58 58 SER H H 58 8.559 8.559 8.484 0.075 25969 12381 1 19 . 1 1 59 59 GLY N N 59 116.880 116.880 108.463 8.417 25969 12382 1 19 . 1 1 59 59 GLY C C 59 172.257 172.257 173.867 -1.610 25969 12383 1 19 . 1 1 59 59 GLY CA C 59 43.702 43.702 44.966 -1.264 25969 12384 1 19 . 1 1 59 59 GLY H H 59 8.919 8.919 7.922 0.997 25969 12385 1 19 . 1 1 60 60 GLN N N 60 121.745 121.745 119.087 2.658 25969 12386 1 19 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.458 -0.067 25969 12387 1 19 . 1 1 60 60 GLN C C 60 177.222 177.222 176.956 0.266 25969 12388 1 19 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.307 -0.302 25969 12389 1 19 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.256 -0.414 25969 12390 1 19 . 1 1 60 60 GLN H H 60 8.575 8.575 8.325 0.250 25969 12391 1 19 . 1 1 61 61 ALA N N 61 128.305 128.305 125.289 3.016 25969 12392 1 19 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.942 -0.543 25969 12393 1 19 . 1 1 61 61 ALA C C 61 178.704 178.704 179.607 -0.903 25969 12394 1 19 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.807 0.482 25969 12395 1 19 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.814 -1.882 25969 12396 1 19 . 1 1 61 61 ALA H H 61 8.576 8.576 8.347 0.229 25969 12397 1 19 . 1 1 62 62 LYS N N 62 114.337 114.337 118.223 -3.886 25969 12398 1 19 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.214 -0.038 25969 12399 1 19 . 1 1 62 62 LYS C C 62 177.327 177.327 177.486 -0.159 25969 12400 1 19 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.709 0.367 25969 12401 1 19 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.363 -0.068 25969 12402 1 19 . 1 1 62 62 LYS H H 62 8.272 8.272 8.128 0.144 25969 12403 1 19 . 1 1 63 63 GLY N N 63 107.059 107.059 109.382 -2.323 25969 12404 1 19 . 1 1 63 63 GLY C C 63 173.759 173.759 172.874 0.885 25969 12405 1 19 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.367 0.418 25969 12406 1 19 . 1 1 63 63 GLY H H 63 7.813 7.813 8.131 -0.318 25969 12407 1 19 . 1 1 64 64 ILE N N 64 122.496 122.496 121.213 1.283 25969 12408 1 19 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.401 0.055 25969 12409 1 19 . 1 1 64 64 ILE C C 64 176.033 176.033 176.458 -0.425 25969 12410 1 19 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.607 0.936 25969 12411 1 19 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.255 -2.283 25969 12412 1 19 . 1 1 64 64 ILE H H 64 7.256 7.256 7.232 0.024 25969 12413 1 19 . 1 1 65 65 LEU N N 65 128.858 128.858 123.535 5.323 25969 12414 1 19 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.222 0.031 25969 12415 1 19 . 1 1 65 65 LEU C C 65 178.203 178.203 176.331 1.872 25969 12416 1 19 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.206 -0.668 25969 12417 1 19 . 1 1 65 65 LEU CB C 65 42.536 42.536 42.275 0.261 25969 12418 1 19 . 1 1 65 65 LEU H H 65 8.417 8.417 8.387 0.030 25969 12419 1 19 . 1 1 66 66 GLU N N 66 119.109 119.109 121.079 -1.970 25969 12420 1 19 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.598 -0.357 25969 12421 1 19 . 1 1 66 66 GLU C C 66 177.436 177.436 177.141 0.295 25969 12422 1 19 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.688 0.570 25969 12423 1 19 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.149 -2.050 25969 12424 1 19 . 1 1 66 66 GLU H H 66 8.590 8.590 8.283 0.307 25969 12425 1 19 . 1 1 67 67 GLY N N 67 108.490 108.490 112.567 -4.077 25969 12426 1 19 . 1 1 67 67 GLY C C 67 173.551 173.551 173.348 0.203 25969 12427 1 19 . 1 1 67 67 GLY CA C 67 46.121 46.121 46.513 -0.392 25969 12428 1 19 . 1 1 67 67 GLY H H 67 9.498 9.498 8.977 0.521 25969 12429 1 19 . 1 1 68 68 LYS N N 68 117.773 117.773 117.544 0.229 25969 12430 1 19 . 1 1 68 68 LYS HA H 68 4.796 4.796 5.243 -0.447 25969 12431 1 19 . 1 1 68 68 LYS C C 68 175.637 175.637 174.165 1.472 25969 12432 1 19 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.331 -0.062 25969 12433 1 19 . 1 1 68 68 LYS CB C 68 35.702 35.702 35.592 0.110 25969 12434 1 19 . 1 1 68 68 LYS H H 68 7.604 7.604 7.686 -0.082 25969 12435 1 19 . 1 1 69 69 PHE N N 69 114.518 114.518 121.870 -7.352 25969 12436 1 19 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.543 -0.071 25969 12437 1 19 . 1 1 69 69 PHE C C 69 172.591 172.591 173.533 -0.942 25969 12438 1 19 . 1 1 69 69 PHE CA C 69 59.078 59.078 56.210 2.868 25969 12439 1 19 . 1 1 69 69 PHE CB C 69 40.377 40.377 41.928 -1.551 25969 12440 1 19 . 1 1 69 69 PHE H H 69 8.439 8.439 9.123 -0.684 25969 12441 1 19 . 1 1 70 70 THR N N 70 115.260 115.260 119.905 -4.645 25969 12442 1 19 . 1 1 70 70 THR HA H 70 4.602 4.602 3.708 0.894 25969 12443 1 19 . 1 1 70 70 THR C C 70 172.508 172.508 172.661 -0.153 25969 12444 1 19 . 1 1 70 70 THR CA C 70 62.484 62.484 60.748 1.736 25969 12445 1 19 . 1 1 70 70 THR CB C 70 71.367 71.367 71.092 0.275 25969 12446 1 19 . 1 1 70 70 THR H H 70 8.474 8.474 8.019 0.455 25969 12447 1 19 . 1 1 71 71 LEU N N 71 128.144 128.144 126.806 1.338 25969 12448 1 19 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.720 -0.212 25969 12449 1 19 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.724 0.211 25969 12450 1 19 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.233 1.622 25969 12451 1 19 . 1 1 71 71 LEU H H 71 9.284 9.284 7.749 1.535 25969 12452 1 19 . 1 1 72 72 LYS N N 72 122.603 122.603 122.589 0.014 25969 12453 1 19 . 1 1 72 72 LYS HA H 72 5.388 5.388 4.956 0.432 25969 12454 1 19 . 1 1 72 72 LYS C C 72 171.972 171.972 175.032 -3.060 25969 12455 1 19 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.284 0.118 25969 12456 1 19 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.214 3.378 25969 12457 1 19 . 1 1 72 72 LYS H H 72 9.123 9.123 7.908 1.215 25969 12458 1 19 . 1 1 73 73 ALA N N 73 128.927 128.927 128.726 0.201 25969 12459 1 19 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.461 0.390 25969 12460 1 19 . 1 1 73 73 ALA C C 73 175.324 175.324 175.627 -0.303 25969 12461 1 19 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.695 -0.569 25969 12462 1 19 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.332 -0.856 25969 12463 1 19 . 1 1 73 73 ALA H H 73 9.178 9.178 8.943 0.235 25969 12464 1 19 . 1 1 74 74 VAL N N 74 123.425 123.425 120.633 2.792 25969 12465 1 19 . 1 1 74 74 VAL HA H 74 4.139 4.139 3.975 0.164 25969 12466 1 19 . 1 1 74 74 VAL C C 74 173.425 173.425 174.686 -1.261 25969 12467 1 19 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.629 0.221 25969 12468 1 19 . 1 1 74 74 VAL CB C 74 35.768 35.768 35.983 -0.215 25969 12469 1 19 . 1 1 74 74 VAL H H 74 8.727 8.727 8.710 0.017 25969 12470 1 19 . 1 1 75 75 ALA N N 75 130.762 130.762 128.821 1.941 25969 12471 1 19 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.486 0.172 25969 12472 1 19 . 1 1 75 75 ALA C C 75 177.327 177.327 178.629 -1.302 25969 12473 1 19 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.110 1.090 25969 12474 1 19 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.580 1.026 25969 12475 1 19 . 1 1 75 75 ALA H H 75 9.164 9.164 7.434 1.730 25969 12476 1 19 . 1 1 76 76 LEU N N 76 119.175 119.175 124.011 -4.836 25969 12477 1 19 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.029 -0.235 25969 12478 1 19 . 1 1 76 76 LEU C C 76 178.036 178.036 177.858 0.178 25969 12479 1 19 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.153 1.123 25969 12480 1 19 . 1 1 76 76 LEU CB C 76 41.846 41.846 41.960 -0.114 25969 12481 1 19 . 1 1 76 76 LEU H H 76 8.269 8.269 8.756 -0.487 25969 12482 1 19 . 1 1 77 77 ASP N N 77 115.777 115.777 115.681 0.096 25969 12483 1 19 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.765 0.031 25969 12484 1 19 . 1 1 77 77 ASP C C 77 176.012 176.012 176.901 -0.889 25969 12485 1 19 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.921 -2.190 25969 12486 1 19 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.195 -0.019 25969 12487 1 19 . 1 1 77 77 ASP H H 77 7.715 7.715 8.047 -0.332 25969 12488 1 19 . 1 1 78 78 ARG N N 78 122.846 122.846 119.225 3.621 25969 12489 1 19 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.117 -0.034 25969 12490 1 19 . 1 1 78 78 ARG C C 78 177.869 177.869 176.916 0.953 25969 12491 1 19 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.388 -0.980 25969 12492 1 19 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.212 0.412 25969 12493 1 19 . 1 1 78 78 ARG H H 78 8.408 8.408 7.358 1.050 25969 12494 1 19 . 1 1 79 79 GLU N N 79 118.091 118.091 118.948 -0.857 25969 12495 1 19 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.039 -0.020 25969 12496 1 19 . 1 1 79 79 GLU C C 79 177.930 177.930 177.086 0.844 25969 12497 1 19 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.359 -0.035 25969 12498 1 19 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.241 -0.107 25969 12499 1 19 . 1 1 79 79 GLU H H 79 7.888 7.888 8.284 -0.396 25969 12500 1 19 . 1 1 80 80 ALA N N 80 120.528 120.528 118.839 1.689 25969 12501 1 19 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.429 -0.327 25969 12502 1 19 . 1 1 80 80 ALA C C 80 178.142 178.142 176.240 1.902 25969 12503 1 19 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.854 0.213 25969 12504 1 19 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.777 -1.505 25969 12505 1 19 . 1 1 80 80 ALA H H 80 7.175 7.175 8.079 -0.904 25969 12506 1 19 . 1 1 81 81 GLU N N 81 115.377 115.377 117.315 -1.938 25969 12507 1 19 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.867 -0.105 25969 12508 1 19 . 1 1 81 81 GLU C C 81 171.047 171.047 174.968 -3.921 25969 12509 1 19 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.593 -0.394 25969 12510 1 19 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.354 1.339 25969 12511 1 19 . 1 1 81 81 GLU H H 81 7.457 7.457 7.553 -0.096 25969 12512 1 19 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.185 0.512 25969 12513 1 19 . 1 1 82 82 PRO C C 82 177.636 177.636 176.961 0.675 25969 12514 1 19 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.569 -0.978 25969 12515 1 19 . 1 1 82 82 PRO CB C 82 32.832 32.832 32.045 0.787 25969 12516 1 19 . 1 1 83 83 ARG N N 83 118.488 118.488 117.667 0.821 25969 12517 1 19 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.587 -0.013 25969 12518 1 19 . 1 1 83 83 ARG C C 83 176.870 176.870 175.676 1.194 25969 12519 1 19 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.127 -0.083 25969 12520 1 19 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.743 0.433 25969 12521 1 19 . 1 1 83 83 ARG H H 83 8.554 8.554 8.104 0.450 25969 12522 1 19 . 1 1 84 84 VAL N N 84 111.376 111.376 118.692 -7.316 25969 12523 1 19 . 1 1 84 84 VAL HA H 84 5.027 5.027 4.924 0.103 25969 12524 1 19 . 1 1 84 84 VAL C C 84 174.302 174.302 174.177 0.125 25969 12525 1 19 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.927 -1.384 25969 12526 1 19 . 1 1 84 84 VAL CB C 84 34.690 34.690 35.068 -0.378 25969 12527 1 19 . 1 1 84 84 VAL H H 84 8.304 8.304 8.451 -0.147 25969 12528 1 19 . 1 1 85 85 LEU N N 85 122.000 122.000 121.886 0.114 25969 12529 1 19 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.138 0.190 25969 12530 1 19 . 1 1 85 85 LEU C C 85 175.491 175.491 174.096 1.395 25969 12531 1 19 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.264 -0.397 25969 12532 1 19 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.750 0.372 25969 12533 1 19 . 1 1 85 85 LEU H H 85 8.095 8.095 8.579 -0.484 25969 12534 1 19 . 1 1 86 86 ARG N N 86 119.409 119.409 121.369 -1.960 25969 12535 1 19 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.319 0.151 25969 12536 1 19 . 1 1 86 86 ARG C C 86 174.928 174.928 173.340 1.588 25969 12537 1 19 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.783 -0.582 25969 12538 1 19 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.365 1.270 25969 12539 1 19 . 1 1 86 86 ARG H H 86 8.851 8.851 8.219 0.632 25969 12540 1 19 . 1 1 87 87 LEU N N 87 122.550 122.550 123.690 -1.140 25969 12541 1 19 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.073 0.001 25969 12542 1 19 . 1 1 87 87 LEU C C 87 174.406 174.406 174.012 0.394 25969 12543 1 19 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.769 1.235 25969 12544 1 19 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.567 1.557 25969 12545 1 19 . 1 1 87 87 LEU H H 87 8.798 8.798 7.981 0.817 25969 12546 1 19 . 1 1 88 88 ASN N N 88 125.347 125.347 123.181 2.166 25969 12547 1 19 . 1 1 88 88 ASN HA H 88 5.423 5.423 4.402 1.021 25969 12548 1 19 . 1 1 88 88 ASN C C 88 176.576 176.576 176.735 -0.159 25969 12549 1 19 . 1 1 88 88 ASN CA C 88 50.863 50.863 50.735 0.128 25969 12550 1 19 . 1 1 88 88 ASN CB C 88 40.577 40.577 39.957 0.620 25969 12551 1 19 . 1 1 88 88 ASN H H 88 7.376 7.376 8.344 -0.968 25969 12552 1 19 . 1 1 89 89 GLU N N 89 114.953 114.953 119.057 -4.104 25969 12553 1 19 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.356 -0.960 25969 12554 1 19 . 1 1 89 89 GLU C C 89 176.684 176.684 176.687 -0.003 25969 12555 1 19 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.904 -0.364 25969 12556 1 19 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.857 -0.987 25969 12557 1 19 . 1 1 89 89 GLU H H 89 7.586 7.586 8.452 -0.866 25969 12558 1 19 . 1 1 90 90 SER N N 90 117.110 117.110 112.111 4.999 25969 12559 1 19 . 1 1 90 90 SER HA H 90 4.442 4.442 4.622 -0.180 25969 12560 1 19 . 1 1 90 90 SER C C 90 174.051 174.051 174.873 -0.822 25969 12561 1 19 . 1 1 90 90 SER CA C 90 58.895 58.895 57.472 1.423 25969 12562 1 19 . 1 1 90 90 SER CB C 90 63.886 63.886 64.409 -0.523 25969 12563 1 19 . 1 1 90 90 SER H H 90 7.385 7.385 7.700 -0.315 25969 12564 1 19 . 1 1 91 91 LEU N N 91 116.559 116.559 119.351 -2.792 25969 12565 1 19 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.026 -0.329 25969 12566 1 19 . 1 1 91 91 LEU C C 91 175.825 175.825 175.708 0.117 25969 12567 1 19 . 1 1 91 91 LEU CA C 91 56.042 56.042 56.268 -0.226 25969 12568 1 19 . 1 1 91 91 LEU CB C 91 37.705 37.705 38.847 -1.142 25969 12569 1 19 . 1 1 91 91 LEU H H 91 8.704 8.704 8.276 0.428 25969 12570 1 19 . 1 1 92 92 THR N N 92 115.529 115.529 115.805 -0.276 25969 12571 1 19 . 1 1 92 92 THR HA H 92 4.254 4.254 4.375 -0.121 25969 12572 1 19 . 1 1 92 92 THR C C 92 173.425 173.425 172.915 0.510 25969 12573 1 19 . 1 1 92 92 THR CA C 92 62.617 62.617 63.019 -0.402 25969 12574 1 19 . 1 1 92 92 THR CB C 92 69.096 69.096 69.588 -0.492 25969 12575 1 19 . 1 1 92 92 THR H H 92 7.704 7.704 8.648 -0.944 25969 12576 1 19 . 1 1 93 93 ALA N N 93 130.459 130.459 131.464 -1.005 25969 12577 1 19 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.409 0.278 25969 12578 1 19 . 1 1 93 93 ALA C C 93 177.201 177.201 175.382 1.819 25969 12579 1 19 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.502 0.760 25969 12580 1 19 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.378 -0.568 25969 12581 1 19 . 1 1 93 93 ALA H H 93 9.002 9.002 8.499 0.503 25969 12582 1 19 . 1 1 94 94 VAL N N 94 117.872 117.872 120.345 -2.473 25969 12583 1 19 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.827 0.077 25969 12584 1 19 . 1 1 94 94 VAL C C 94 173.613 173.613 173.660 -0.047 25969 12585 1 19 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.629 -0.950 25969 12586 1 19 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.363 -0.327 25969 12587 1 19 . 1 1 94 94 VAL H H 94 8.833 8.833 8.207 0.626 25969 12588 1 19 . 1 1 95 95 VAL N N 95 121.842 121.842 128.008 -6.166 25969 12589 1 19 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.821 0.432 25969 12590 1 19 . 1 1 95 95 VAL C C 95 174.552 174.552 173.632 0.920 25969 12591 1 19 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.575 -0.633 25969 12592 1 19 . 1 1 95 95 VAL CB C 95 34.900 34.900 33.877 1.023 25969 12593 1 19 . 1 1 95 95 VAL H H 95 9.286 9.286 8.719 0.567 25969 12594 1 19 . 1 1 96 96 CYS N N 96 126.839 126.839 124.259 2.580 25969 12595 1 19 . 1 1 96 96 CYS HA H 96 5.423 5.423 4.919 0.504 25969 12596 1 19 . 1 1 96 96 CYS C C 96 174.135 174.135 175.442 -1.307 25969 12597 1 19 . 1 1 96 96 CYS CA C 96 54.269 54.269 58.030 -3.761 25969 12598 1 19 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.822 15.633 25969 12599 1 19 . 1 1 96 96 CYS H H 96 9.452 9.452 8.930 0.522 25969 12600 1 19 . 1 1 97 97 GLY N N 97 109.718 109.718 108.519 1.199 25969 12601 1 19 . 1 1 97 97 GLY C C 97 172.639 172.639 172.880 -0.241 25969 12602 1 19 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.099 1.289 25969 12603 1 19 . 1 1 97 97 GLY H H 97 8.355 8.355 8.756 -0.401 25969 12604 1 19 . 1 1 98 98 LYS N N 98 114.844 114.844 119.391 -4.547 25969 12605 1 19 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.567 0.177 25969 12606 1 19 . 1 1 98 98 LYS C C 98 174.051 174.051 174.528 -0.477 25969 12607 1 19 . 1 1 98 98 LYS CA C 98 54.336 54.336 54.965 -0.629 25969 12608 1 19 . 1 1 98 98 LYS CB C 98 35.528 35.528 36.253 -0.725 25969 12609 1 19 . 1 1 98 98 LYS H H 98 7.632 7.632 7.667 -0.035 25969 12610 1 19 . 1 1 99 99 MET N N 99 124.801 124.801 127.523 -2.722 25969 12611 1 19 . 1 1 99 99 MET HA H 99 5.017 5.017 4.733 0.284 25969 12612 1 19 . 1 1 99 99 MET C C 99 176.337 176.337 174.583 1.754 25969 12613 1 19 . 1 1 99 99 MET CA C 99 54.803 54.803 54.997 -0.194 25969 12614 1 19 . 1 1 99 99 MET CB C 99 34.646 34.646 33.875 0.771 25969 12615 1 19 . 1 1 99 99 MET H H 99 8.759 8.759 8.758 0.000 25969 12616 1 19 . 1 1 100 100 LYS N N 100 126.252 126.252 124.729 1.523 25969 12617 1 19 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.419 -0.043 25969 12618 1 19 . 1 1 100 100 LYS C C 100 177.222 177.222 177.416 -0.194 25969 12619 1 19 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.260 -0.805 25969 12620 1 19 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.212 -0.783 25969 12621 1 19 . 1 1 100 100 LYS H H 100 8.602 8.602 8.178 0.424 25969 12622 1 19 . 1 1 101 101 GLY N N 101 108.944 108.944 106.454 2.490 25969 12623 1 19 . 1 1 101 101 GLY C C 101 173.613 173.613 174.102 -0.489 25969 12624 1 19 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.648 -0.063 25969 12625 1 19 . 1 1 101 101 GLY H H 101 8.385 8.385 7.828 0.557 25969 12626 1 19 . 1 1 102 102 LYS N N 102 118.594 118.594 120.342 -1.748 25969 12627 1 19 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.246 0.168 25969 12628 1 19 . 1 1 102 102 LYS C C 102 176.867 176.867 175.794 1.073 25969 12629 1 19 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.533 -1.661 25969 12630 1 19 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.728 1.295 25969 12631 1 19 . 1 1 102 102 LYS H H 102 8.436 8.436 8.241 0.195 25969 12632 1 19 . 1 1 103 103 GLY N N 103 110.581 110.581 107.850 2.731 25969 12633 1 19 . 1 1 103 103 GLY C C 103 171.631 171.631 172.913 -1.282 25969 12634 1 19 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.019 1.901 25969 12635 1 19 . 1 1 103 103 GLY H H 103 8.443 8.443 8.404 0.039 25969 12636 1 19 . 1 1 104 104 SER N N 104 113.710 113.710 116.788 -3.078 25969 12637 1 19 . 1 1 104 104 SER HA H 104 4.697 4.697 4.628 0.069 25969 12638 1 19 . 1 1 104 104 SER C C 104 174.680 174.680 173.950 0.730 25969 12639 1 19 . 1 1 104 104 SER CA C 104 57.331 57.331 57.160 0.171 25969 12640 1 19 . 1 1 104 104 SER CB C 104 66.178 66.178 65.935 0.243 25969 12641 1 19 . 1 1 104 104 SER H H 104 8.535 8.535 8.109 0.426 25969 12642 1 19 . 1 1 105 105 CYS N N 105 118.835 118.835 121.681 -2.846 25969 12643 1 19 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.400 0.212 25969 12644 1 19 . 1 1 105 105 CYS C C 105 176.502 176.502 175.667 0.835 25969 12645 1 19 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.385 -3.248 25969 12646 1 19 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.462 12.950 25969 12647 1 19 . 1 1 105 105 CYS H H 105 10.009 10.009 9.120 0.889 25969 12648 1 19 . 1 1 106 106 THR N N 106 107.957 107.957 110.942 -2.985 25969 12649 1 19 . 1 1 106 106 THR HA H 106 4.574 4.574 4.040 0.534 25969 12650 1 19 . 1 1 106 106 THR C C 106 175.178 175.178 173.311 1.867 25969 12651 1 19 . 1 1 106 106 THR CA C 106 61.014 61.014 64.189 -3.175 25969 12652 1 19 . 1 1 106 106 THR CB C 106 68.495 68.495 67.478 1.017 25969 12653 1 19 . 1 1 106 106 THR H H 106 8.030 8.030 8.791 -0.761 25969 12654 1 19 . 1 1 107 107 ASP N N 107 120.763 120.763 120.594 0.169 25969 12655 1 19 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.729 -0.409 25969 12656 1 19 . 1 1 107 107 ASP C C 107 177.264 177.264 176.473 0.791 25969 12657 1 19 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.949 0.055 25969 12658 1 19 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.777 -2.933 25969 12659 1 19 . 1 1 107 107 ASP H H 107 7.531 7.531 7.931 -0.400 25969 12660 1 19 . 1 1 108 108 GLY N N 108 108.602 108.602 109.791 -1.189 25969 12661 1 19 . 1 1 108 108 GLY C C 108 174.698 174.698 173.292 1.406 25969 12662 1 19 . 1 1 108 108 GLY CA C 108 45.653 45.653 44.928 0.725 25969 12663 1 19 . 1 1 108 108 GLY H H 108 8.591 8.591 7.619 0.972 25969 12664 1 19 . 1 1 109 109 GLU N N 109 120.191 120.191 120.611 -0.420 25969 12665 1 19 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.153 0.299 25969 12666 1 19 . 1 1 109 109 GLU C C 109 176.472 176.472 175.788 0.684 25969 12667 1 19 . 1 1 109 109 GLU CA C 109 55.678 55.678 57.287 -1.609 25969 12668 1 19 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.497 0.387 25969 12669 1 19 . 1 1 109 109 GLU H H 109 8.292 8.292 8.309 -0.017 25969 12670 1 19 . 1 1 110 110 GLU N N 110 116.857 116.857 118.126 -1.269 25969 12671 1 19 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.200 0.016 25969 12672 1 19 . 1 1 110 110 GLU C C 110 176.381 176.381 174.716 1.665 25969 12673 1 19 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.889 0.247 25969 12674 1 19 . 1 1 110 110 GLU CB C 110 31.273 31.273 30.759 0.514 25969 12675 1 19 . 1 1 110 110 GLU H H 110 9.028 9.028 8.632 0.396 25969 12676 1 19 . 1 1 111 111 ILE N N 111 109.164 109.164 112.460 -3.296 25969 12677 1 19 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.792 0.043 25969 12678 1 19 . 1 1 111 111 ILE C C 111 176.868 176.868 173.453 3.415 25969 12679 1 19 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.592 -0.450 25969 12680 1 19 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.811 1.304 25969 12681 1 19 . 1 1 111 111 ILE H H 111 7.022 7.022 7.160 -0.138 25969 12682 1 19 . 1 1 112 112 PHE N N 112 118.509 118.509 122.263 -3.754 25969 12683 1 19 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.921 0.191 25969 12684 1 19 . 1 1 112 112 PHE C C 112 174.171 174.171 173.369 0.802 25969 12685 1 19 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.492 2.299 25969 12686 1 19 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.231 3.628 25969 12687 1 19 . 1 1 112 112 PHE H H 112 8.605 8.605 7.979 0.626 25969 12688 1 19 . 1 1 113 113 ARG N N 113 119.908 119.908 122.481 -2.573 25969 12689 1 19 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.506 0.266 25969 12690 1 19 . 1 1 113 113 ARG C C 113 176.930 176.930 174.692 2.238 25969 12691 1 19 . 1 1 113 113 ARG CA C 113 55.404 55.404 55.007 0.397 25969 12692 1 19 . 1 1 113 113 ARG CB C 113 33.431 33.431 32.950 0.481 25969 12693 1 19 . 1 1 113 113 ARG H H 113 9.352 9.352 7.580 1.772 25969 12694 1 19 . 1 1 114 114 GLY N N 114 109.477 109.477 112.318 -2.841 25969 12695 1 19 . 1 1 114 114 GLY C C 114 173.738 173.738 172.849 0.889 25969 12696 1 19 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.057 -0.606 25969 12697 1 19 . 1 1 114 114 GLY H H 114 8.467 8.467 8.620 -0.153 25969 12698 1 19 . 1 1 115 115 ASN N N 115 119.193 119.193 120.594 -1.401 25969 12699 1 19 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.984 -0.250 25969 12700 1 19 . 1 1 115 115 ASN C C 115 173.530 173.530 173.075 0.455 25969 12701 1 19 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.833 -0.100 25969 12702 1 19 . 1 1 115 115 ASN CB C 115 39.642 39.642 41.908 -2.266 25969 12703 1 19 . 1 1 115 115 ASN H H 115 8.523 8.523 8.533 -0.010 25969 12704 1 19 . 1 1 116 116 ASP N N 116 120.602 120.602 120.186 0.416 25969 12705 1 19 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.336 -0.253 25969 12706 1 19 . 1 1 116 116 ASP C C 116 174.030 174.030 174.546 -0.516 25969 12707 1 19 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.439 1.830 25969 12708 1 19 . 1 1 116 116 ASP CB C 116 43.983 43.983 43.996 -0.013 25969 12709 1 19 . 1 1 116 116 ASP H H 116 8.098 8.098 8.368 -0.270 25969 12710 1 19 . 1 1 117 117 ALA N N 117 123.146 123.146 120.735 2.411 25969 12711 1 19 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.560 0.156 25969 12712 1 19 . 1 1 117 117 ALA C C 117 175.345 175.345 176.236 -0.891 25969 12713 1 19 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.607 -0.145 25969 12714 1 19 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.290 1.855 25969 12715 1 19 . 1 1 117 117 ALA H H 117 8.979 8.979 8.471 0.508 25969 12716 1 19 . 1 1 118 118 GLU N N 118 115.917 115.917 115.988 -0.071 25969 12717 1 19 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.996 -0.101 25969 12718 1 19 . 1 1 118 118 GLU C C 118 177.181 177.181 174.794 2.387 25969 12719 1 19 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.388 -1.030 25969 12720 1 19 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.285 -0.533 25969 12721 1 19 . 1 1 118 118 GLU H H 118 8.829 8.829 8.737 0.092 25969 12722 1 19 . 1 1 119 119 CYS N N 119 119.476 119.476 116.963 2.513 25969 12723 1 19 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.355 0.115 25969 12724 1 19 . 1 1 119 119 CYS C C 119 174.738 174.738 174.609 0.129 25969 12725 1 19 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.191 -1.027 25969 12726 1 19 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.405 13.053 25969 12727 1 19 . 1 1 119 119 CYS H H 119 8.671 8.671 8.139 0.532 25969 12728 1 19 . 1 1 120 120 ARG N N 120 123.444 123.444 121.793 1.651 25969 12729 1 19 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.018 -0.093 25969 12730 1 19 . 1 1 120 120 ARG C C 120 172.028 172.028 173.209 -1.181 25969 12731 1 19 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.058 0.610 25969 12732 1 19 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.756 0.805 25969 12733 1 19 . 1 1 120 120 ARG H H 120 9.238 9.238 9.185 0.053 25969 12734 1 19 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.613 -0.067 25969 12735 1 19 . 1 1 121 121 PRO C C 121 176.138 176.138 175.468 0.670 25969 12736 1 19 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.116 0.904 25969 12737 1 19 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.997 0.165 25969 12738 1 19 . 1 1 122 122 PHE N N 122 124.392 124.392 125.540 -1.148 25969 12739 1 19 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.776 -0.070 25969 12740 1 19 . 1 1 122 122 PHE C C 122 175.032 175.032 174.310 0.722 25969 12741 1 19 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.194 1.214 25969 12742 1 19 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.730 -2.353 25969 12743 1 19 . 1 1 122 122 PHE H H 122 8.335 8.335 8.740 -0.405 25969 12744 1 19 . 1 1 123 123 THR N N 123 118.912 118.912 115.232 3.680 25969 12745 1 19 . 1 1 123 123 THR HA H 123 4.140 4.140 4.575 -0.435 25969 12746 1 19 . 1 1 123 123 THR C C 123 173.071 173.071 173.522 -0.451 25969 12747 1 19 . 1 1 123 123 THR CA C 123 60.948 60.948 59.898 1.050 25969 12748 1 19 . 1 1 123 123 THR CB C 123 69.430 69.430 70.394 -0.964 25969 12749 1 19 . 1 1 123 123 THR H H 123 8.146 8.146 7.901 0.245 25969 12750 1 20 . 1 1 7 7 ARG N N 7 122.494 122.494 121.081 1.413 25969 12751 1 20 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.381 -0.031 25969 12752 1 20 . 1 1 7 7 ARG C C 7 177.037 177.037 175.158 1.879 25969 12753 1 20 . 1 1 7 7 ARG CA C 7 56.724 56.724 55.512 1.212 25969 12754 1 20 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.095 -0.214 25969 12755 1 20 . 1 1 7 7 ARG H H 7 8.649 8.649 7.944 0.705 25969 12756 1 20 . 1 1 8 8 SER N N 8 117.535 117.535 115.802 1.733 25969 12757 1 20 . 1 1 8 8 SER HA H 8 4.384 4.384 4.255 0.129 25969 12758 1 20 . 1 1 8 8 SER C C 8 174.613 174.613 174.445 0.168 25969 12759 1 20 . 1 1 8 8 SER CA C 8 59.412 59.412 58.019 1.393 25969 12760 1 20 . 1 1 8 8 SER CB C 8 63.686 63.686 62.261 1.425 25969 12761 1 20 . 1 1 8 8 SER H H 8 8.522 8.522 7.611 0.911 25969 12762 1 20 . 1 1 9 9 ALA N N 9 126.336 126.336 128.277 -1.941 25969 12763 1 20 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.492 -0.027 25969 12764 1 20 . 1 1 9 9 ALA C C 9 178.349 178.349 178.655 -0.306 25969 12765 1 20 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.494 0.573 25969 12766 1 20 . 1 1 9 9 ALA CB C 9 18.914 18.914 19.944 -1.030 25969 12767 1 20 . 1 1 9 9 ALA H H 9 8.415 8.415 8.159 0.256 25969 12768 1 20 . 1 1 10 10 ASN N N 10 121.438 121.438 118.403 3.035 25969 12769 1 20 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.732 -0.046 25969 12770 1 20 . 1 1 10 10 ASN C C 10 175.571 175.571 175.749 -0.178 25969 12771 1 20 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.495 -0.248 25969 12772 1 20 . 1 1 10 10 ASN CB C 10 39.125 39.125 37.335 1.790 25969 12773 1 20 . 1 1 10 10 ASN H H 10 9.263 9.263 9.257 0.006 25969 12774 1 20 . 1 1 11 11 LEU N N 11 125.021 125.021 120.708 4.313 25969 12775 1 20 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.916 0.705 25969 12776 1 20 . 1 1 11 11 LEU C C 11 178.567 178.567 177.747 0.820 25969 12777 1 20 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.309 1.577 25969 12778 1 20 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.119 1.141 25969 12779 1 20 . 1 1 11 11 LEU H H 11 8.560 8.560 7.854 0.706 25969 12780 1 20 . 1 1 12 12 ARG N N 12 117.977 117.977 118.091 -0.114 25969 12781 1 20 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.159 -0.025 25969 12782 1 20 . 1 1 12 12 ARG C C 12 179.350 179.350 178.367 0.983 25969 12783 1 20 . 1 1 12 12 ARG CA C 12 60.347 60.347 57.797 2.550 25969 12784 1 20 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.760 0.931 25969 12785 1 20 . 1 1 12 12 ARG H H 12 8.114 8.114 8.220 -0.106 25969 12786 1 20 . 1 1 13 13 ALA N N 13 123.280 123.280 121.708 1.572 25969 12787 1 20 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.284 -0.071 25969 12788 1 20 . 1 1 13 13 ALA C C 13 180.957 180.957 179.303 1.654 25969 12789 1 20 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.425 -0.023 25969 12790 1 20 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.345 -0.476 25969 12791 1 20 . 1 1 13 13 ALA H H 13 7.871 7.871 7.901 -0.030 25969 12792 1 20 . 1 1 14 14 ALA N N 14 122.111 122.111 121.115 0.996 25969 12793 1 20 . 1 1 14 14 ALA HA H 14 3.705 3.705 4.066 -0.361 25969 12794 1 20 . 1 1 14 14 ALA C C 14 178.578 178.578 179.209 -0.631 25969 12795 1 20 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.624 0.780 25969 12796 1 20 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.924 -0.664 25969 12797 1 20 . 1 1 14 14 ALA H H 14 7.930 7.930 7.360 0.570 25969 12798 1 20 . 1 1 15 15 HIS N N 15 118.502 118.502 117.781 0.721 25969 12799 1 20 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.210 -0.434 25969 12800 1 20 . 1 1 15 15 HIS C C 15 176.304 176.304 176.892 -0.588 25969 12801 1 20 . 1 1 15 15 HIS CA C 15 60.031 60.031 59.993 0.038 25969 12802 1 20 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.630 1.740 25969 12803 1 20 . 1 1 15 15 HIS H H 15 8.422 8.422 8.764 -0.342 25969 12804 1 20 . 1 1 16 16 ALA N N 16 120.116 120.116 119.558 0.558 25969 12805 1 20 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.329 -0.475 25969 12806 1 20 . 1 1 16 16 ALA C C 16 180.644 180.644 178.721 1.923 25969 12807 1 20 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.777 1.694 25969 12808 1 20 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.843 -1.041 25969 12809 1 20 . 1 1 16 16 ALA H H 16 7.980 7.980 7.772 0.208 25969 12810 1 20 . 1 1 17 17 ALA N N 17 121.281 121.281 123.161 -1.880 25969 12811 1 20 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.063 0.113 25969 12812 1 20 . 1 1 17 17 ALA C C 17 180.122 180.122 179.138 0.984 25969 12813 1 20 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.858 -0.389 25969 12814 1 20 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.574 1.566 25969 12815 1 20 . 1 1 17 17 ALA H H 17 7.465 7.465 7.484 -0.019 25969 12816 1 20 . 1 1 18 18 LEU N N 18 120.262 120.262 118.283 1.979 25969 12817 1 20 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.086 -0.279 25969 12818 1 20 . 1 1 18 18 LEU C C 18 178.766 178.766 179.379 -0.613 25969 12819 1 20 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.399 1.345 25969 12820 1 20 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.910 0.801 25969 12821 1 20 . 1 1 18 18 LEU H H 18 8.468 8.468 8.527 -0.059 25969 12822 1 20 . 1 1 19 19 LEU N N 19 119.078 119.078 121.276 -2.198 25969 12823 1 20 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.172 -0.310 25969 12824 1 20 . 1 1 19 19 LEU C C 19 179.517 179.517 178.320 1.197 25969 12825 1 20 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.346 -0.338 25969 12826 1 20 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.143 0.302 25969 12827 1 20 . 1 1 19 19 LEU H H 19 8.029 8.029 7.539 0.490 25969 12828 1 20 . 1 1 20 20 GLU N N 20 121.499 121.499 119.832 1.667 25969 12829 1 20 . 1 1 20 20 GLU HA H 20 4.027 4.027 3.989 0.038 25969 12830 1 20 . 1 1 20 20 GLU C C 20 180.289 180.289 178.863 1.426 25969 12831 1 20 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.788 0.091 25969 12832 1 20 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.486 -0.196 25969 12833 1 20 . 1 1 20 20 GLU H H 20 7.895 7.895 8.697 -0.802 25969 12834 1 20 . 1 1 21 21 ASN N N 21 119.066 119.066 118.239 0.827 25969 12835 1 20 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.702 -0.164 25969 12836 1 20 . 1 1 21 21 ASN C C 21 177.368 177.368 176.938 0.430 25969 12837 1 20 . 1 1 21 21 ASN CA C 21 55.872 55.872 56.084 -0.211 25969 12838 1 20 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.949 1.495 25969 12839 1 20 . 1 1 21 21 ASN H H 21 8.373 8.373 8.386 -0.013 25969 12840 1 20 . 1 1 22 22 ALA N N 22 125.274 125.274 124.183 1.091 25969 12841 1 20 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.088 -0.315 25969 12842 1 20 . 1 1 22 22 ALA C C 22 179.402 179.402 179.999 -0.597 25969 12843 1 20 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.262 0.209 25969 12844 1 20 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.712 -0.492 25969 12845 1 20 . 1 1 22 22 ALA H H 22 8.886 8.886 8.513 0.373 25969 12846 1 20 . 1 1 23 23 ARG N N 23 119.945 119.945 117.090 2.855 25969 12847 1 20 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.169 0.028 25969 12848 1 20 . 1 1 23 23 ARG C C 23 179.726 179.726 178.277 1.449 25969 12849 1 20 . 1 1 23 23 ARG CA C 23 59.812 59.812 59.085 0.727 25969 12850 1 20 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.859 -0.168 25969 12851 1 20 . 1 1 23 23 ARG H H 23 8.168 8.168 8.457 -0.289 25969 12852 1 20 . 1 1 24 24 PHE N N 24 121.222 121.222 120.254 0.968 25969 12853 1 20 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.491 -0.124 25969 12854 1 20 . 1 1 24 24 PHE C C 24 177.410 177.410 177.916 -0.506 25969 12855 1 20 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.638 -0.290 25969 12856 1 20 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.011 -1.105 25969 12857 1 20 . 1 1 24 24 PHE H H 24 7.658 7.658 7.698 -0.040 25969 12858 1 20 . 1 1 25 25 MET N N 25 120.355 120.355 118.098 2.257 25969 12859 1 20 . 1 1 25 25 MET HA H 25 4.300 4.300 4.583 -0.283 25969 12860 1 20 . 1 1 25 25 MET C C 25 179.371 179.371 178.124 1.247 25969 12861 1 20 . 1 1 25 25 MET CA C 25 55.939 55.939 55.703 0.236 25969 12862 1 20 . 1 1 25 25 MET CB C 25 29.424 29.424 31.429 -2.005 25969 12863 1 20 . 1 1 25 25 MET H H 25 8.358 8.358 9.093 -0.735 25969 12864 1 20 . 1 1 26 26 GLU N N 26 120.164 120.164 119.833 0.331 25969 12865 1 20 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.344 -0.006 25969 12866 1 20 . 1 1 26 26 GLU C C 26 179.934 179.934 179.877 0.057 25969 12867 1 20 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.532 0.521 25969 12868 1 20 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.195 0.289 25969 12869 1 20 . 1 1 26 26 GLU H H 26 8.441 8.441 8.399 0.042 25969 12870 1 20 . 1 1 27 27 GLN N N 27 121.309 121.309 119.400 1.909 25969 12871 1 20 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.230 -0.098 25969 12872 1 20 . 1 1 27 27 GLN C C 27 178.307 178.307 178.175 0.132 25969 12873 1 20 . 1 1 27 27 GLN CA C 27 58.610 58.610 58.334 0.277 25969 12874 1 20 . 1 1 27 27 GLN CB C 27 28.088 28.088 29.060 -0.972 25969 12875 1 20 . 1 1 27 27 GLN H H 27 8.001 8.001 8.235 -0.234 25969 12876 1 20 . 1 1 28 28 PHE N N 28 124.569 124.569 121.830 2.739 25969 12877 1 20 . 1 1 28 28 PHE HA H 28 3.814 3.814 3.990 -0.176 25969 12878 1 20 . 1 1 28 28 PHE C C 28 177.717 177.717 177.436 0.281 25969 12879 1 20 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.565 0.627 25969 12880 1 20 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.123 0.220 25969 12881 1 20 . 1 1 28 28 PHE H H 28 8.760 8.760 8.542 0.218 25969 12882 1 20 . 1 1 29 29 TYR N N 29 121.726 121.726 119.598 2.128 25969 12883 1 20 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.140 -0.345 25969 12884 1 20 . 1 1 29 29 TYR C C 29 179.079 179.079 177.204 1.875 25969 12885 1 20 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.712 -0.764 25969 12886 1 20 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.544 0.163 25969 12887 1 20 . 1 1 29 29 TYR H H 29 8.956 8.956 8.557 0.399 25969 12888 1 20 . 1 1 30 30 ALA N N 30 121.142 121.142 119.849 1.293 25969 12889 1 20 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.099 -0.051 25969 12890 1 20 . 1 1 30 30 ALA C C 30 174.781 174.781 178.538 -3.757 25969 12891 1 20 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.254 0.616 25969 12892 1 20 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.325 -0.456 25969 12893 1 20 . 1 1 30 30 ALA H H 30 8.063 8.063 7.762 0.301 25969 12894 1 20 . 1 1 31 31 LYS N N 31 114.745 114.745 115.286 -0.541 25969 12895 1 20 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.226 -0.038 25969 12896 1 20 . 1 1 31 31 LYS C C 31 177.744 177.744 177.107 0.637 25969 12897 1 20 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.463 -0.055 25969 12898 1 20 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.434 -0.259 25969 12899 1 20 . 1 1 31 31 LYS H H 31 7.172 7.172 7.867 -0.695 25969 12900 1 20 . 1 1 32 32 LYS N N 32 117.388 117.388 117.047 0.341 25969 12901 1 20 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.258 -0.145 25969 12902 1 20 . 1 1 32 32 LYS C C 32 177.747 177.747 176.572 1.175 25969 12903 1 20 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.209 -0.404 25969 12904 1 20 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.630 -0.732 25969 12905 1 20 . 1 1 32 32 LYS H H 32 8.154 8.154 7.803 0.351 25969 12906 1 20 . 1 1 33 33 GLY N N 33 109.017 109.017 106.135 2.882 25969 12907 1 20 . 1 1 33 33 GLY C C 33 171.798 171.798 173.255 -1.457 25969 12908 1 20 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.671 -0.020 25969 12909 1 20 . 1 1 33 33 GLY H H 33 8.945 8.945 8.205 0.740 25969 12910 1 20 . 1 1 34 34 SER N N 34 110.165 110.165 114.493 -4.328 25969 12911 1 20 . 1 1 34 34 SER HA H 34 4.136 4.136 5.202 -1.066 25969 12912 1 20 . 1 1 34 34 SER C C 34 172.862 172.862 173.842 -0.980 25969 12913 1 20 . 1 1 34 34 SER CA C 34 56.673 56.673 57.558 -0.885 25969 12914 1 20 . 1 1 34 34 SER CB C 34 64.621 64.621 66.206 -1.585 25969 12915 1 20 . 1 1 34 34 SER H H 34 6.756 6.756 7.756 -1.000 25969 12916 1 20 . 1 1 35 35 PHE N N 35 121.132 121.132 121.327 -0.195 25969 12917 1 20 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.771 0.343 25969 12918 1 20 . 1 1 35 35 PHE C C 35 172.888 172.888 175.550 -2.662 25969 12919 1 20 . 1 1 35 35 PHE CA C 35 59.260 59.260 59.167 0.093 25969 12920 1 20 . 1 1 35 35 PHE CB C 35 40.488 40.488 39.931 0.557 25969 12921 1 20 . 1 1 35 35 PHE H H 35 9.403 9.403 8.884 0.519 25969 12922 1 20 . 1 1 36 36 LYS N N 36 114.841 114.841 118.816 -3.975 25969 12923 1 20 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.312 0.072 25969 12924 1 20 . 1 1 36 36 LYS C C 36 177.118 177.118 177.089 0.029 25969 12925 1 20 . 1 1 36 36 LYS CA C 36 56.272 56.272 57.187 -0.915 25969 12926 1 20 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.451 -0.354 25969 12927 1 20 . 1 1 36 36 LYS H H 36 8.536 8.536 8.148 0.388 25969 12928 1 20 . 1 1 37 37 LEU N N 37 124.789 124.789 118.605 6.184 25969 12929 1 20 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.777 -0.327 25969 12930 1 20 . 1 1 37 37 LEU C C 37 177.535 177.535 176.888 0.647 25969 12931 1 20 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.397 2.345 25969 12932 1 20 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.403 1.848 25969 12933 1 20 . 1 1 37 37 LEU H H 37 8.503 8.503 8.419 0.084 25969 12934 1 20 . 1 1 38 38 THR N N 38 108.556 108.556 112.650 -4.094 25969 12935 1 20 . 1 1 38 38 THR HA H 38 4.619 4.619 4.606 0.013 25969 12936 1 20 . 1 1 38 38 THR C C 38 173.947 173.947 172.717 1.230 25969 12937 1 20 . 1 1 38 38 THR CA C 38 58.944 58.944 60.206 -1.262 25969 12938 1 20 . 1 1 38 38 THR CB C 38 71.818 71.818 70.636 1.182 25969 12939 1 20 . 1 1 38 38 THR H H 38 8.189 8.189 7.517 0.672 25969 12940 1 20 . 1 1 39 39 SER N N 39 110.757 110.757 119.435 -8.678 25969 12941 1 20 . 1 1 39 39 SER HA H 39 4.057 4.057 4.328 -0.271 25969 12942 1 20 . 1 1 39 39 SER C C 39 174.904 174.904 174.654 0.250 25969 12943 1 20 . 1 1 39 39 SER CA C 39 60.938 60.938 59.494 1.444 25969 12944 1 20 . 1 1 39 39 SER CB C 39 63.218 63.218 63.321 -0.103 25969 12945 1 20 . 1 1 39 39 SER H H 39 8.590 8.590 8.521 0.069 25969 12946 1 20 . 1 1 40 40 THR N N 40 129.807 129.807 111.538 18.269 25969 12947 1 20 . 1 1 40 40 THR HA H 40 4.453 4.453 3.779 0.674 25969 12948 1 20 . 1 1 40 40 THR C C 40 174.928 174.928 173.257 1.671 25969 12949 1 20 . 1 1 40 40 THR CA C 40 60.351 60.351 62.909 -2.558 25969 12950 1 20 . 1 1 40 40 THR CB C 40 69.910 69.910 67.670 2.240 25969 12951 1 20 . 1 1 40 40 THR H H 40 7.570 7.570 8.458 -0.888 25969 12952 1 20 . 1 1 41 41 LYS N N 41 125.614 125.614 119.664 5.950 25969 12953 1 20 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.599 0.113 25969 12954 1 20 . 1 1 41 41 LYS C C 41 174.907 174.907 174.251 0.656 25969 12955 1 20 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.813 0.925 25969 12956 1 20 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.820 1.222 25969 12957 1 20 . 1 1 41 41 LYS H H 41 7.425 7.425 7.784 -0.359 25969 12958 1 20 . 1 1 42 42 TRP N N 42 124.827 124.827 122.788 2.039 25969 12959 1 20 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.081 0.021 25969 12960 1 20 . 1 1 42 42 TRP C C 42 173.384 173.384 174.876 -1.492 25969 12961 1 20 . 1 1 42 42 TRP CA C 42 54.402 54.402 52.877 1.525 25969 12962 1 20 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.267 0.624 25969 12963 1 20 . 1 1 42 42 TRP H H 42 8.590 8.590 8.645 -0.055 25969 12964 1 20 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.440 0.007 25969 12965 1 20 . 1 1 43 43 PRO C C 43 174.990 174.990 175.430 -0.440 25969 12966 1 20 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.602 -0.051 25969 12967 1 20 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.848 -0.753 25969 12968 1 20 . 1 1 44 44 GLU N N 44 120.080 120.080 122.163 -2.083 25969 12969 1 20 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.346 -0.381 25969 12970 1 20 . 1 1 44 44 GLU C C 44 175.699 175.699 176.027 -0.328 25969 12971 1 20 . 1 1 44 44 GLU CA C 44 56.206 56.206 55.699 0.507 25969 12972 1 20 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.230 -0.648 25969 12973 1 20 . 1 1 44 44 GLU H H 44 8.134 8.134 8.286 -0.152 25969 12974 1 20 . 1 1 45 45 LEU N N 45 125.972 125.972 124.663 1.309 25969 12975 1 20 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.753 -0.790 25969 12976 1 20 . 1 1 45 45 LEU C C 45 176.242 176.242 175.332 0.910 25969 12977 1 20 . 1 1 45 45 LEU CA C 45 51.731 51.731 50.972 0.759 25969 12978 1 20 . 1 1 45 45 LEU CB C 45 41.312 41.312 40.385 0.927 25969 12979 1 20 . 1 1 45 45 LEU H H 45 8.363 8.363 8.243 0.120 25969 12980 1 20 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.157 0.017 25969 12981 1 20 . 1 1 46 46 PRO C C 46 177.702 177.702 176.444 1.258 25969 12982 1 20 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.571 0.249 25969 12983 1 20 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.894 -0.333 25969 12984 1 20 . 1 1 47 47 VAL N N 47 119.474 119.474 118.714 0.760 25969 12985 1 20 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.884 0.351 25969 12986 1 20 . 1 1 47 47 VAL C C 47 175.178 175.178 175.750 -0.572 25969 12987 1 20 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.806 -0.790 25969 12988 1 20 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.622 -0.474 25969 12989 1 20 . 1 1 47 47 VAL H H 47 7.836 7.836 8.087 -0.251 25969 12990 1 20 . 1 1 48 48 LYS N N 48 124.385 124.385 124.524 -0.139 25969 12991 1 20 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.606 -0.297 25969 12992 1 20 . 1 1 48 48 LYS C C 48 176.534 176.534 175.251 1.283 25969 12993 1 20 . 1 1 48 48 LYS CA C 48 57.141 57.141 55.936 1.205 25969 12994 1 20 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.484 0.348 25969 12995 1 20 . 1 1 48 48 LYS H H 48 8.638 8.638 8.333 0.305 25969 12996 1 20 . 1 1 49 49 GLU N N 49 118.262 118.262 117.438 0.824 25969 12997 1 20 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.562 0.669 25969 12998 1 20 . 1 1 49 49 GLU C C 49 174.552 174.552 174.175 0.377 25969 12999 1 20 . 1 1 49 49 GLU CA C 49 55.271 55.271 56.072 -0.801 25969 13000 1 20 . 1 1 49 49 GLU CB C 49 33.297 33.297 32.403 0.894 25969 13001 1 20 . 1 1 49 49 GLU H H 49 7.473 7.473 7.637 -0.164 25969 13002 1 20 . 1 1 50 50 ALA N N 50 124.186 124.186 127.807 -3.621 25969 13003 1 20 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.623 -0.172 25969 13004 1 20 . 1 1 50 50 ALA C C 50 177.890 177.890 177.623 0.267 25969 13005 1 20 . 1 1 50 50 ALA CA C 50 53.133 53.133 51.491 1.642 25969 13006 1 20 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.266 3.347 25969 13007 1 20 . 1 1 50 50 ALA H H 50 8.902 8.902 8.756 0.146 25969 13008 1 20 . 1 1 51 51 GLY N N 51 109.041 109.041 105.104 3.937 25969 13009 1 20 . 1 1 51 51 GLY C C 51 173.759 173.759 174.860 -1.101 25969 13010 1 20 . 1 1 51 51 GLY CA C 51 47.657 47.657 46.504 1.153 25969 13011 1 20 . 1 1 51 51 GLY H H 51 9.113 9.113 8.761 0.352 25969 13012 1 20 . 1 1 52 52 GLY N N 52 104.272 104.272 105.242 -0.970 25969 13013 1 20 . 1 1 52 52 GLY C C 52 174.156 174.156 172.966 1.190 25969 13014 1 20 . 1 1 52 52 GLY CA C 52 45.520 45.520 45.156 0.364 25969 13015 1 20 . 1 1 52 52 GLY H H 52 8.873 8.873 8.274 0.599 25969 13016 1 20 . 1 1 53 53 PHE N N 53 120.324 120.324 119.706 0.618 25969 13017 1 20 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.281 -0.124 25969 13018 1 20 . 1 1 53 53 PHE C C 53 175.574 175.574 174.202 1.372 25969 13019 1 20 . 1 1 53 53 PHE CA C 53 56.940 56.940 55.594 1.345 25969 13020 1 20 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.071 -1.692 25969 13021 1 20 . 1 1 53 53 PHE H H 53 8.278 8.278 7.591 0.687 25969 13022 1 20 . 1 1 54 54 CYS N N 54 116.465 116.465 120.457 -3.992 25969 13023 1 20 . 1 1 54 54 CYS HA H 54 5.660 5.660 4.764 0.896 25969 13024 1 20 . 1 1 54 54 CYS C C 54 173.092 173.092 172.893 0.199 25969 13025 1 20 . 1 1 54 54 CYS CA C 54 54.997 54.997 58.589 -3.592 25969 13026 1 20 . 1 1 54 54 CYS CB C 54 44.496 44.496 28.676 15.820 25969 13027 1 20 . 1 1 54 54 CYS H H 54 9.911 9.911 9.097 0.814 25969 13028 1 20 . 1 1 55 55 ILE N N 55 119.910 119.910 125.636 -5.726 25969 13029 1 20 . 1 1 55 55 ILE HA H 55 5.311 5.311 4.829 0.482 25969 13030 1 20 . 1 1 55 55 ILE C C 55 175.366 175.366 175.272 0.094 25969 13031 1 20 . 1 1 55 55 ILE CA C 55 60.480 60.480 59.977 0.503 25969 13032 1 20 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.591 -0.892 25969 13033 1 20 . 1 1 55 55 ILE H H 55 7.971 7.971 8.651 -0.680 25969 13034 1 20 . 1 1 56 56 ARG N N 56 122.445 122.445 120.173 2.272 25969 13035 1 20 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.691 -0.070 25969 13036 1 20 . 1 1 56 56 ARG C C 56 174.948 174.948 174.128 0.820 25969 13037 1 20 . 1 1 56 56 ARG CA C 56 53.467 53.467 54.068 -0.601 25969 13038 1 20 . 1 1 56 56 ARG CB C 56 36.410 36.410 34.879 1.531 25969 13039 1 20 . 1 1 56 56 ARG H H 56 8.927 8.927 8.075 0.852 25969 13040 1 20 . 1 1 57 57 MET N N 57 119.875 119.875 119.515 0.360 25969 13041 1 20 . 1 1 57 57 MET HA H 57 4.574 4.574 4.560 0.014 25969 13042 1 20 . 1 1 57 57 MET C C 57 175.845 175.845 175.952 -0.107 25969 13043 1 20 . 1 1 57 57 MET CA C 57 55.204 55.204 55.379 -0.175 25969 13044 1 20 . 1 1 57 57 MET CB C 57 32.162 32.162 34.333 -2.171 25969 13045 1 20 . 1 1 57 57 MET H H 57 9.022 9.022 8.598 0.424 25969 13046 1 20 . 1 1 58 58 SER N N 58 114.338 114.338 117.620 -3.282 25969 13047 1 20 . 1 1 58 58 SER HA H 58 5.138 5.138 4.374 0.764 25969 13048 1 20 . 1 1 58 58 SER C C 58 175.866 175.866 175.070 0.796 25969 13049 1 20 . 1 1 58 58 SER CA C 58 56.084 56.084 59.369 -3.285 25969 13050 1 20 . 1 1 58 58 SER CB C 58 63.977 63.977 63.954 0.023 25969 13051 1 20 . 1 1 58 58 SER H H 58 8.559 8.559 8.648 -0.089 25969 13052 1 20 . 1 1 59 59 GLY N N 59 116.880 116.880 108.253 8.627 25969 13053 1 20 . 1 1 59 59 GLY C C 59 172.257 172.257 173.878 -1.621 25969 13054 1 20 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.005 -1.303 25969 13055 1 20 . 1 1 59 59 GLY H H 59 8.919 8.919 7.973 0.946 25969 13056 1 20 . 1 1 60 60 GLN N N 60 121.745 121.745 118.978 2.767 25969 13057 1 20 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.470 -0.079 25969 13058 1 20 . 1 1 60 60 GLN C C 60 177.222 177.222 176.978 0.244 25969 13059 1 20 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.420 -0.415 25969 13060 1 20 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.383 -0.541 25969 13061 1 20 . 1 1 60 60 GLN H H 60 8.575 8.575 8.321 0.254 25969 13062 1 20 . 1 1 61 61 ALA N N 61 128.305 128.305 125.803 2.502 25969 13063 1 20 . 1 1 61 61 ALA HA H 61 3.399 3.399 4.011 -0.612 25969 13064 1 20 . 1 1 61 61 ALA C C 61 178.704 178.704 178.706 -0.002 25969 13065 1 20 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.659 0.630 25969 13066 1 20 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.831 -1.899 25969 13067 1 20 . 1 1 61 61 ALA H H 61 8.576 8.576 8.278 0.298 25969 13068 1 20 . 1 1 62 62 LYS N N 62 114.337 114.337 115.904 -1.567 25969 13069 1 20 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.190 -0.014 25969 13070 1 20 . 1 1 62 62 LYS C C 62 177.327 177.327 177.394 -0.067 25969 13071 1 20 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.325 0.751 25969 13072 1 20 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.388 -0.093 25969 13073 1 20 . 1 1 62 62 LYS H H 62 8.272 8.272 8.155 0.117 25969 13074 1 20 . 1 1 63 63 GLY N N 63 107.059 107.059 108.569 -1.510 25969 13075 1 20 . 1 1 63 63 GLY C C 63 173.759 173.759 173.150 0.609 25969 13076 1 20 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.651 0.134 25969 13077 1 20 . 1 1 63 63 GLY H H 63 7.813 7.813 8.043 -0.230 25969 13078 1 20 . 1 1 64 64 ILE N N 64 122.496 122.496 122.535 -0.039 25969 13079 1 20 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.443 0.013 25969 13080 1 20 . 1 1 64 64 ILE C C 64 176.033 176.033 176.221 -0.188 25969 13081 1 20 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.657 0.885 25969 13082 1 20 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.475 -2.503 25969 13083 1 20 . 1 1 64 64 ILE H H 64 7.256 7.256 7.690 -0.434 25969 13084 1 20 . 1 1 65 65 LEU N N 65 128.858 128.858 123.387 5.471 25969 13085 1 20 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.130 0.123 25969 13086 1 20 . 1 1 65 65 LEU C C 65 178.203 178.203 175.879 2.324 25969 13087 1 20 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.361 -0.823 25969 13088 1 20 . 1 1 65 65 LEU CB C 65 42.536 42.536 42.119 0.417 25969 13089 1 20 . 1 1 65 65 LEU H H 65 8.417 8.417 8.584 -0.167 25969 13090 1 20 . 1 1 66 66 GLU N N 66 119.109 119.109 123.853 -4.744 25969 13091 1 20 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.639 -0.398 25969 13092 1 20 . 1 1 66 66 GLU C C 66 177.436 177.436 176.352 1.084 25969 13093 1 20 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.065 1.193 25969 13094 1 20 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.882 -2.783 25969 13095 1 20 . 1 1 66 66 GLU H H 66 8.590 8.590 8.411 0.179 25969 13096 1 20 . 1 1 67 67 GLY N N 67 108.490 108.490 111.724 -3.234 25969 13097 1 20 . 1 1 67 67 GLY C C 67 173.551 173.551 173.261 0.290 25969 13098 1 20 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.615 0.506 25969 13099 1 20 . 1 1 67 67 GLY H H 67 9.498 9.498 8.827 0.671 25969 13100 1 20 . 1 1 68 68 LYS N N 68 117.773 117.773 119.424 -1.651 25969 13101 1 20 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.501 0.295 25969 13102 1 20 . 1 1 68 68 LYS C C 68 175.637 175.637 174.370 1.267 25969 13103 1 20 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.491 -0.222 25969 13104 1 20 . 1 1 68 68 LYS CB C 68 35.702 35.702 35.129 0.573 25969 13105 1 20 . 1 1 68 68 LYS H H 68 7.604 7.604 7.456 0.148 25969 13106 1 20 . 1 1 69 69 PHE N N 69 114.518 114.518 122.639 -8.121 25969 13107 1 20 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.503 -0.031 25969 13108 1 20 . 1 1 69 69 PHE C C 69 172.591 172.591 174.372 -1.781 25969 13109 1 20 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.288 3.789 25969 13110 1 20 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.780 0.597 25969 13111 1 20 . 1 1 69 69 PHE H H 69 8.439 8.439 8.490 -0.051 25969 13112 1 20 . 1 1 70 70 THR N N 70 115.260 115.260 118.019 -2.759 25969 13113 1 20 . 1 1 70 70 THR HA H 70 4.602 4.602 4.839 -0.237 25969 13114 1 20 . 1 1 70 70 THR C C 70 172.508 172.508 172.575 -0.067 25969 13115 1 20 . 1 1 70 70 THR CA C 70 62.484 62.484 61.749 0.735 25969 13116 1 20 . 1 1 70 70 THR CB C 70 71.367 71.367 71.923 -0.556 25969 13117 1 20 . 1 1 70 70 THR H H 70 8.474 8.474 8.554 -0.080 25969 13118 1 20 . 1 1 71 71 LEU N N 71 128.144 128.144 123.295 4.849 25969 13119 1 20 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.818 -0.310 25969 13120 1 20 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.596 0.339 25969 13121 1 20 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.680 1.175 25969 13122 1 20 . 1 1 71 71 LEU H H 71 9.284 9.284 8.114 1.170 25969 13123 1 20 . 1 1 72 72 LYS N N 72 122.603 122.603 122.421 0.182 25969 13124 1 20 . 1 1 72 72 LYS HA H 72 5.388 5.388 4.996 0.392 25969 13125 1 20 . 1 1 72 72 LYS C C 72 171.972 171.972 175.368 -3.396 25969 13126 1 20 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.569 -0.167 25969 13127 1 20 . 1 1 72 72 LYS CB C 72 38.592 38.592 34.774 3.818 25969 13128 1 20 . 1 1 72 72 LYS H H 72 9.123 9.123 8.251 0.872 25969 13129 1 20 . 1 1 73 73 ALA N N 73 128.927 128.927 129.860 -0.933 25969 13130 1 20 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.499 0.352 25969 13131 1 20 . 1 1 73 73 ALA C C 73 175.324 175.324 175.934 -0.610 25969 13132 1 20 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.932 -0.806 25969 13133 1 20 . 1 1 73 73 ALA CB C 73 21.476 21.476 21.856 -0.380 25969 13134 1 20 . 1 1 73 73 ALA H H 73 9.178 9.178 8.904 0.274 25969 13135 1 20 . 1 1 74 74 VAL N N 74 123.425 123.425 120.914 2.511 25969 13136 1 20 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.040 0.099 25969 13137 1 20 . 1 1 74 74 VAL C C 74 173.425 173.425 174.498 -1.073 25969 13138 1 20 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.333 0.517 25969 13139 1 20 . 1 1 74 74 VAL CB C 74 35.768 35.768 36.005 -0.237 25969 13140 1 20 . 1 1 74 74 VAL H H 74 8.727 8.727 8.861 -0.134 25969 13141 1 20 . 1 1 75 75 ALA N N 75 130.762 130.762 128.333 2.429 25969 13142 1 20 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.289 0.369 25969 13143 1 20 . 1 1 75 75 ALA C C 75 177.327 177.327 178.502 -1.175 25969 13144 1 20 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.260 0.940 25969 13145 1 20 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.785 0.821 25969 13146 1 20 . 1 1 75 75 ALA H H 75 9.164 9.164 7.503 1.661 25969 13147 1 20 . 1 1 76 76 LEU N N 76 119.175 119.175 123.273 -4.098 25969 13148 1 20 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.037 -0.242 25969 13149 1 20 . 1 1 76 76 LEU C C 76 178.036 178.036 177.900 0.136 25969 13150 1 20 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.252 1.024 25969 13151 1 20 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.033 -0.187 25969 13152 1 20 . 1 1 76 76 LEU H H 76 8.269 8.269 8.692 -0.423 25969 13153 1 20 . 1 1 77 77 ASP N N 77 115.777 115.777 115.464 0.313 25969 13154 1 20 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.779 0.017 25969 13155 1 20 . 1 1 77 77 ASP C C 77 176.012 176.012 176.828 -0.816 25969 13156 1 20 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.880 -2.150 25969 13157 1 20 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.222 -0.046 25969 13158 1 20 . 1 1 77 77 ASP H H 77 7.715 7.715 8.185 -0.470 25969 13159 1 20 . 1 1 78 78 ARG N N 78 122.846 122.846 119.576 3.270 25969 13160 1 20 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.088 -0.005 25969 13161 1 20 . 1 1 78 78 ARG C C 78 177.869 177.869 176.974 0.895 25969 13162 1 20 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.336 -0.928 25969 13163 1 20 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.103 0.521 25969 13164 1 20 . 1 1 78 78 ARG H H 78 8.408 8.408 7.270 1.138 25969 13165 1 20 . 1 1 79 79 GLU N N 79 118.091 118.091 119.002 -0.911 25969 13166 1 20 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.032 -0.013 25969 13167 1 20 . 1 1 79 79 GLU C C 79 177.930 177.930 177.175 0.755 25969 13168 1 20 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.417 -0.093 25969 13169 1 20 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.189 -0.055 25969 13170 1 20 . 1 1 79 79 GLU H H 79 7.888 7.888 8.307 -0.419 25969 13171 1 20 . 1 1 80 80 ALA N N 80 120.528 120.528 118.960 1.568 25969 13172 1 20 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.442 -0.340 25969 13173 1 20 . 1 1 80 80 ALA C C 80 178.142 178.142 176.775 1.367 25969 13174 1 20 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.877 0.191 25969 13175 1 20 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.662 -1.390 25969 13176 1 20 . 1 1 80 80 ALA H H 80 7.175 7.175 8.019 -0.844 25969 13177 1 20 . 1 1 81 81 GLU N N 81 115.377 115.377 117.695 -2.318 25969 13178 1 20 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.873 -0.111 25969 13179 1 20 . 1 1 81 81 GLU C C 81 171.047 171.047 175.013 -3.966 25969 13180 1 20 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.561 -0.363 25969 13181 1 20 . 1 1 81 81 GLU CB C 81 30.693 30.693 28.909 1.784 25969 13182 1 20 . 1 1 81 81 GLU H H 81 7.457 7.457 7.560 -0.103 25969 13183 1 20 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.150 0.547 25969 13184 1 20 . 1 1 82 82 PRO C C 82 177.636 177.636 176.863 0.773 25969 13185 1 20 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.664 -1.073 25969 13186 1 20 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.969 0.863 25969 13187 1 20 . 1 1 83 83 ARG N N 83 118.488 118.488 117.925 0.563 25969 13188 1 20 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.560 0.014 25969 13189 1 20 . 1 1 83 83 ARG C C 83 176.870 176.870 175.571 1.299 25969 13190 1 20 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.181 -0.137 25969 13191 1 20 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.772 0.404 25969 13192 1 20 . 1 1 83 83 ARG H H 83 8.554 8.554 8.089 0.465 25969 13193 1 20 . 1 1 84 84 VAL N N 84 111.376 111.376 120.143 -8.767 25969 13194 1 20 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.005 0.022 25969 13195 1 20 . 1 1 84 84 VAL C C 84 174.302 174.302 174.499 -0.197 25969 13196 1 20 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.223 -0.680 25969 13197 1 20 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.226 0.464 25969 13198 1 20 . 1 1 84 84 VAL H H 84 8.304 8.304 8.278 0.026 25969 13199 1 20 . 1 1 85 85 LEU N N 85 122.000 122.000 122.448 -0.448 25969 13200 1 20 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.181 0.147 25969 13201 1 20 . 1 1 85 85 LEU C C 85 175.491 175.491 174.293 1.198 25969 13202 1 20 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.252 -0.386 25969 13203 1 20 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.816 0.306 25969 13204 1 20 . 1 1 85 85 LEU H H 85 8.095 8.095 8.761 -0.666 25969 13205 1 20 . 1 1 86 86 ARG N N 86 119.409 119.409 121.394 -1.985 25969 13206 1 20 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.403 0.067 25969 13207 1 20 . 1 1 86 86 ARG C C 86 174.928 174.928 173.446 1.482 25969 13208 1 20 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.828 -0.626 25969 13209 1 20 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.334 1.301 25969 13210 1 20 . 1 1 86 86 ARG H H 86 8.851 8.851 8.200 0.651 25969 13211 1 20 . 1 1 87 87 LEU N N 87 122.550 122.550 124.434 -1.884 25969 13212 1 20 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.046 0.028 25969 13213 1 20 . 1 1 87 87 LEU C C 87 174.406 174.406 174.455 -0.049 25969 13214 1 20 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.874 1.129 25969 13215 1 20 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.264 1.860 25969 13216 1 20 . 1 1 87 87 LEU H H 87 8.798 8.798 8.088 0.710 25969 13217 1 20 . 1 1 88 88 ASN N N 88 125.347 125.347 123.855 1.492 25969 13218 1 20 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.605 -0.182 25969 13219 1 20 . 1 1 88 88 ASN C C 88 176.576 176.576 176.665 -0.089 25969 13220 1 20 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.764 -0.902 25969 13221 1 20 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.234 0.343 25969 13222 1 20 . 1 1 88 88 ASN H H 88 7.376 7.376 8.250 -0.874 25969 13223 1 20 . 1 1 89 89 GLU N N 89 114.953 114.953 119.164 -4.211 25969 13224 1 20 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.316 -0.920 25969 13225 1 20 . 1 1 89 89 GLU C C 89 176.684 176.684 176.819 -0.135 25969 13226 1 20 . 1 1 89 89 GLU CA C 89 58.540 58.540 59.127 -0.587 25969 13227 1 20 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.880 -1.010 25969 13228 1 20 . 1 1 89 89 GLU H H 89 7.586 7.586 8.423 -0.837 25969 13229 1 20 . 1 1 90 90 SER N N 90 117.110 117.110 114.047 3.063 25969 13230 1 20 . 1 1 90 90 SER HA H 90 4.442 4.442 4.453 -0.011 25969 13231 1 20 . 1 1 90 90 SER C C 90 174.051 174.051 174.553 -0.502 25969 13232 1 20 . 1 1 90 90 SER CA C 90 58.895 58.895 58.621 0.274 25969 13233 1 20 . 1 1 90 90 SER CB C 90 63.886 63.886 63.214 0.672 25969 13234 1 20 . 1 1 90 90 SER H H 90 7.385 7.385 8.162 -0.777 25969 13235 1 20 . 1 1 91 91 LEU N N 91 116.559 116.559 118.834 -2.275 25969 13236 1 20 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.017 -0.320 25969 13237 1 20 . 1 1 91 91 LEU C C 91 175.825 175.825 175.388 0.437 25969 13238 1 20 . 1 1 91 91 LEU CA C 91 56.042 56.042 55.935 0.107 25969 13239 1 20 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.052 -1.347 25969 13240 1 20 . 1 1 91 91 LEU H H 91 8.704 8.704 7.824 0.880 25969 13241 1 20 . 1 1 92 92 THR N N 92 115.529 115.529 114.392 1.137 25969 13242 1 20 . 1 1 92 92 THR HA H 92 4.254 4.254 4.412 -0.158 25969 13243 1 20 . 1 1 92 92 THR C C 92 173.425 173.425 173.148 0.277 25969 13244 1 20 . 1 1 92 92 THR CA C 92 62.617 62.617 62.603 0.014 25969 13245 1 20 . 1 1 92 92 THR CB C 92 69.096 69.096 69.529 -0.433 25969 13246 1 20 . 1 1 92 92 THR H H 92 7.704 7.704 7.688 0.016 25969 13247 1 20 . 1 1 93 93 ALA N N 93 130.459 130.459 131.280 -0.821 25969 13248 1 20 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.431 0.256 25969 13249 1 20 . 1 1 93 93 ALA C C 93 177.201 177.201 175.411 1.790 25969 13250 1 20 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.490 0.772 25969 13251 1 20 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.132 -0.322 25969 13252 1 20 . 1 1 93 93 ALA H H 93 9.002 9.002 8.421 0.581 25969 13253 1 20 . 1 1 94 94 VAL N N 94 117.872 117.872 120.581 -2.709 25969 13254 1 20 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.761 0.143 25969 13255 1 20 . 1 1 94 94 VAL C C 94 173.613 173.613 173.803 -0.190 25969 13256 1 20 . 1 1 94 94 VAL CA C 94 59.679 59.679 61.286 -1.607 25969 13257 1 20 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.266 -0.230 25969 13258 1 20 . 1 1 94 94 VAL H H 94 8.833 8.833 8.245 0.588 25969 13259 1 20 . 1 1 95 95 VAL N N 95 121.842 121.842 127.752 -5.910 25969 13260 1 20 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.928 0.325 25969 13261 1 20 . 1 1 95 95 VAL C C 95 174.552 174.552 173.617 0.935 25969 13262 1 20 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.364 -0.422 25969 13263 1 20 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.245 0.655 25969 13264 1 20 . 1 1 95 95 VAL H H 95 9.286 9.286 8.721 0.565 25969 13265 1 20 . 1 1 96 96 CYS N N 96 126.839 126.839 124.314 2.525 25969 13266 1 20 . 1 1 96 96 CYS HA H 96 5.423 5.423 5.034 0.389 25969 13267 1 20 . 1 1 96 96 CYS C C 96 174.135 174.135 175.622 -1.487 25969 13268 1 20 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.843 -3.574 25969 13269 1 20 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.736 15.719 25969 13270 1 20 . 1 1 96 96 CYS H H 96 9.452 9.452 8.950 0.502 25969 13271 1 20 . 1 1 97 97 GLY N N 97 109.718 109.718 108.143 1.575 25969 13272 1 20 . 1 1 97 97 GLY C C 97 172.639 172.639 172.980 -0.341 25969 13273 1 20 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.268 1.120 25969 13274 1 20 . 1 1 97 97 GLY H H 97 8.355 8.355 8.288 0.067 25969 13275 1 20 . 1 1 98 98 LYS N N 98 114.844 114.844 120.170 -5.326 25969 13276 1 20 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.647 0.097 25969 13277 1 20 . 1 1 98 98 LYS C C 98 174.051 174.051 174.548 -0.497 25969 13278 1 20 . 1 1 98 98 LYS CA C 98 54.336 54.336 54.891 -0.555 25969 13279 1 20 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.267 0.261 25969 13280 1 20 . 1 1 98 98 LYS H H 98 7.632 7.632 7.967 -0.335 25969 13281 1 20 . 1 1 99 99 MET N N 99 124.801 124.801 127.135 -2.334 25969 13282 1 20 . 1 1 99 99 MET HA H 99 5.017 5.017 4.661 0.356 25969 13283 1 20 . 1 1 99 99 MET C C 99 176.337 176.337 174.873 1.464 25969 13284 1 20 . 1 1 99 99 MET CA C 99 54.803 54.803 55.101 -0.298 25969 13285 1 20 . 1 1 99 99 MET CB C 99 34.646 34.646 33.649 0.997 25969 13286 1 20 . 1 1 99 99 MET H H 99 8.759 8.759 8.795 -0.036 25969 13287 1 20 . 1 1 100 100 LYS N N 100 126.252 126.252 124.976 1.276 25969 13288 1 20 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.448 -0.072 25969 13289 1 20 . 1 1 100 100 LYS C C 100 177.222 177.222 177.605 -0.383 25969 13290 1 20 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.130 -0.675 25969 13291 1 20 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.207 -0.778 25969 13292 1 20 . 1 1 100 100 LYS H H 100 8.602 8.602 8.147 0.455 25969 13293 1 20 . 1 1 101 101 GLY N N 101 108.944 108.944 106.644 2.300 25969 13294 1 20 . 1 1 101 101 GLY C C 101 173.613 173.613 174.237 -0.624 25969 13295 1 20 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.050 0.535 25969 13296 1 20 . 1 1 101 101 GLY H H 101 8.385 8.385 7.541 0.844 25969 13297 1 20 . 1 1 102 102 LYS N N 102 118.594 118.594 117.760 0.834 25969 13298 1 20 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.062 0.352 25969 13299 1 20 . 1 1 102 102 LYS C C 102 176.867 176.867 175.764 1.103 25969 13300 1 20 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.686 -1.814 25969 13301 1 20 . 1 1 102 102 LYS CB C 102 33.023 33.023 32.101 0.922 25969 13302 1 20 . 1 1 102 102 LYS H H 102 8.436 8.436 8.585 -0.149 25969 13303 1 20 . 1 1 103 103 GLY N N 103 110.581 110.581 107.819 2.762 25969 13304 1 20 . 1 1 103 103 GLY C C 103 171.631 171.631 172.743 -1.112 25969 13305 1 20 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.641 1.279 25969 13306 1 20 . 1 1 103 103 GLY H H 103 8.443 8.443 8.207 0.236 25969 13307 1 20 . 1 1 104 104 SER N N 104 113.710 113.710 116.822 -3.112 25969 13308 1 20 . 1 1 104 104 SER HA H 104 4.697 4.697 4.664 0.033 25969 13309 1 20 . 1 1 104 104 SER C C 104 174.680 174.680 173.788 0.892 25969 13310 1 20 . 1 1 104 104 SER CA C 104 57.331 57.331 56.780 0.551 25969 13311 1 20 . 1 1 104 104 SER CB C 104 66.178 66.178 66.447 -0.269 25969 13312 1 20 . 1 1 104 104 SER H H 104 8.535 8.535 8.219 0.316 25969 13313 1 20 . 1 1 105 105 CYS N N 105 118.835 118.835 121.458 -2.623 25969 13314 1 20 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.293 0.319 25969 13315 1 20 . 1 1 105 105 CYS C C 105 176.502 176.502 175.661 0.841 25969 13316 1 20 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.305 -3.169 25969 13317 1 20 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.296 13.116 25969 13318 1 20 . 1 1 105 105 CYS H H 105 10.009 10.009 9.176 0.833 25969 13319 1 20 . 1 1 106 106 THR N N 106 107.957 107.957 114.328 -6.371 25969 13320 1 20 . 1 1 106 106 THR HA H 106 4.574 4.574 3.949 0.625 25969 13321 1 20 . 1 1 106 106 THR C C 106 175.178 175.178 174.182 0.996 25969 13322 1 20 . 1 1 106 106 THR CA C 106 61.014 61.014 63.752 -2.738 25969 13323 1 20 . 1 1 106 106 THR CB C 106 68.495 68.495 68.029 0.466 25969 13324 1 20 . 1 1 106 106 THR H H 106 8.030 8.030 8.804 -0.774 25969 13325 1 20 . 1 1 107 107 ASP N N 107 120.763 120.763 117.201 3.562 25969 13326 1 20 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.710 -0.390 25969 13327 1 20 . 1 1 107 107 ASP C C 107 177.264 177.264 175.635 1.629 25969 13328 1 20 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.609 0.395 25969 13329 1 20 . 1 1 107 107 ASP CB C 107 40.844 40.844 44.187 -3.343 25969 13330 1 20 . 1 1 107 107 ASP H H 107 7.531 7.531 7.814 -0.283 25969 13331 1 20 . 1 1 108 108 GLY N N 108 108.602 108.602 109.929 -1.327 25969 13332 1 20 . 1 1 108 108 GLY C C 108 174.698 174.698 173.227 1.471 25969 13333 1 20 . 1 1 108 108 GLY CA C 108 45.653 45.653 44.948 0.705 25969 13334 1 20 . 1 1 108 108 GLY H H 108 8.591 8.591 7.981 0.610 25969 13335 1 20 . 1 1 109 109 GLU N N 109 120.191 120.191 120.850 -0.659 25969 13336 1 20 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.184 0.268 25969 13337 1 20 . 1 1 109 109 GLU C C 109 176.472 176.472 175.047 1.425 25969 13338 1 20 . 1 1 109 109 GLU CA C 109 55.678 55.678 56.475 -0.797 25969 13339 1 20 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.217 0.667 25969 13340 1 20 . 1 1 109 109 GLU H H 109 8.292 8.292 8.145 0.147 25969 13341 1 20 . 1 1 110 110 GLU N N 110 116.857 116.857 119.245 -2.388 25969 13342 1 20 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.275 -0.059 25969 13343 1 20 . 1 1 110 110 GLU C C 110 176.381 176.381 174.966 1.415 25969 13344 1 20 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.748 0.388 25969 13345 1 20 . 1 1 110 110 GLU CB C 110 31.273 31.273 30.674 0.599 25969 13346 1 20 . 1 1 110 110 GLU H H 110 9.028 9.028 8.642 0.386 25969 13347 1 20 . 1 1 111 111 ILE N N 111 109.164 109.164 112.535 -3.371 25969 13348 1 20 . 1 1 111 111 ILE HA H 111 4.835 4.835 5.015 -0.180 25969 13349 1 20 . 1 1 111 111 ILE C C 111 176.868 176.868 173.441 3.427 25969 13350 1 20 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.313 -0.171 25969 13351 1 20 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.832 1.283 25969 13352 1 20 . 1 1 111 111 ILE H H 111 7.022 7.022 7.265 -0.243 25969 13353 1 20 . 1 1 112 112 PHE N N 112 118.509 118.509 122.350 -3.841 25969 13354 1 20 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.931 0.181 25969 13355 1 20 . 1 1 112 112 PHE C C 112 174.171 174.171 173.477 0.694 25969 13356 1 20 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.383 2.408 25969 13357 1 20 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.170 3.689 25969 13358 1 20 . 1 1 112 112 PHE H H 112 8.605 8.605 8.025 0.580 25969 13359 1 20 . 1 1 113 113 ARG N N 113 119.908 119.908 123.758 -3.850 25969 13360 1 20 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.549 0.223 25969 13361 1 20 . 1 1 113 113 ARG C C 113 176.930 176.930 174.543 2.387 25969 13362 1 20 . 1 1 113 113 ARG CA C 113 55.404 55.404 55.154 0.250 25969 13363 1 20 . 1 1 113 113 ARG CB C 113 33.431 33.431 32.470 0.961 25969 13364 1 20 . 1 1 113 113 ARG H H 113 9.352 9.352 7.630 1.722 25969 13365 1 20 . 1 1 114 114 GLY N N 114 109.477 109.477 112.955 -3.478 25969 13366 1 20 . 1 1 114 114 GLY C C 114 173.738 173.738 172.610 1.128 25969 13367 1 20 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.196 -0.745 25969 13368 1 20 . 1 1 114 114 GLY H H 114 8.467 8.467 8.641 -0.174 25969 13369 1 20 . 1 1 115 115 ASN N N 115 119.193 119.193 121.985 -2.792 25969 13370 1 20 . 1 1 115 115 ASN HA H 115 4.734 4.734 5.036 -0.302 25969 13371 1 20 . 1 1 115 115 ASN C C 115 173.530 173.530 173.215 0.315 25969 13372 1 20 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.429 0.304 25969 13373 1 20 . 1 1 115 115 ASN CB C 115 39.642 39.642 41.511 -1.869 25969 13374 1 20 . 1 1 115 115 ASN H H 115 8.523 8.523 8.552 -0.029 25969 13375 1 20 . 1 1 116 116 ASP N N 116 120.602 120.602 120.582 0.020 25969 13376 1 20 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.211 -0.128 25969 13377 1 20 . 1 1 116 116 ASP C C 116 174.030 174.030 174.291 -0.261 25969 13378 1 20 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.682 1.587 25969 13379 1 20 . 1 1 116 116 ASP CB C 116 43.983 43.983 44.056 -0.073 25969 13380 1 20 . 1 1 116 116 ASP H H 116 8.098 8.098 8.458 -0.360 25969 13381 1 20 . 1 1 117 117 ALA N N 117 123.146 123.146 122.109 1.037 25969 13382 1 20 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.531 0.185 25969 13383 1 20 . 1 1 117 117 ALA C C 117 175.345 175.345 176.189 -0.844 25969 13384 1 20 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.636 -0.174 25969 13385 1 20 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.728 1.417 25969 13386 1 20 . 1 1 117 117 ALA H H 117 8.979 8.979 8.266 0.713 25969 13387 1 20 . 1 1 118 118 GLU N N 118 115.917 115.917 115.749 0.168 25969 13388 1 20 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.976 -0.081 25969 13389 1 20 . 1 1 118 118 GLU C C 118 177.181 177.181 174.579 2.602 25969 13390 1 20 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.453 -1.095 25969 13391 1 20 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.448 -0.696 25969 13392 1 20 . 1 1 118 118 GLU H H 118 8.829 8.829 8.767 0.062 25969 13393 1 20 . 1 1 119 119 CYS N N 119 119.476 119.476 116.377 3.099 25969 13394 1 20 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.259 0.211 25969 13395 1 20 . 1 1 119 119 CYS C C 119 174.738 174.738 174.356 0.382 25969 13396 1 20 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.315 -1.151 25969 13397 1 20 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.067 13.390 25969 13398 1 20 . 1 1 119 119 CYS H H 119 8.671 8.671 8.042 0.629 25969 13399 1 20 . 1 1 120 120 ARG N N 120 123.444 123.444 121.988 1.456 25969 13400 1 20 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.008 -0.083 25969 13401 1 20 . 1 1 120 120 ARG C C 120 172.028 172.028 173.190 -1.162 25969 13402 1 20 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.063 0.605 25969 13403 1 20 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.703 0.858 25969 13404 1 20 . 1 1 120 120 ARG H H 120 9.238 9.238 9.182 0.056 25969 13405 1 20 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.716 -0.170 25969 13406 1 20 . 1 1 121 121 PRO C C 121 176.138 176.138 175.484 0.654 25969 13407 1 20 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.121 0.899 25969 13408 1 20 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.961 0.201 25969 13409 1 20 . 1 1 122 122 PHE N N 122 124.392 124.392 125.700 -1.308 25969 13410 1 20 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.770 -0.064 25969 13411 1 20 . 1 1 122 122 PHE C C 122 175.032 175.032 174.350 0.682 25969 13412 1 20 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.212 1.196 25969 13413 1 20 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.634 -2.257 25969 13414 1 20 . 1 1 122 122 PHE H H 122 8.335 8.335 8.791 -0.456 25969 13415 1 20 . 1 1 123 123 THR N N 123 118.912 118.912 115.228 3.684 25969 13416 1 20 . 1 1 123 123 THR HA H 123 4.140 4.140 4.566 -0.426 25969 13417 1 20 . 1 1 123 123 THR C C 123 173.071 173.071 173.839 -0.768 25969 13418 1 20 . 1 1 123 123 THR CA C 123 60.948 60.948 60.128 0.820 25969 13419 1 20 . 1 1 123 123 THR CB C 123 69.430 69.430 70.339 -0.909 25969 13420 1 20 . 1 1 123 123 THR H H 123 8.146 8.146 7.942 0.204 25969 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 113 3.590 -0.006 3.606 25969 2 1 1 "Average Difference" HA 128 0.314 0.009 0.316 25969 3 1 1 "Average Difference" C 116 1.178 -0.224 1.161 25969 4 1 1 "Average Difference" CA 117 1.214 -0.054 1.218 25969 5 1 1 "Average Difference" CB 106 3.044 -0.656 2.987 25969 6 1 1 "Average Difference" HN 113 0.561 -0.167 0.538 25969 7 1 2 "Average Difference" N 113 3.397 0.014 3.412 25969 8 1 2 "Average Difference" HA 128 0.316 -0.000 0.317 25969 9 1 2 "Average Difference" C 116 1.195 -0.215 1.180 25969 10 1 2 "Average Difference" CA 117 1.198 -0.016 1.203 25969 11 1 2 "Average Difference" CB 106 3.063 -0.648 3.008 25969 12 1 2 "Average Difference" HN 113 0.562 -0.157 0.541 25969 13 1 3 "Average Difference" N 113 3.502 0.045 3.517 25969 14 1 3 "Average Difference" HA 128 0.318 -0.004 0.320 25969 15 1 3 "Average Difference" C 116 1.224 -0.220 1.209 25969 16 1 3 "Average Difference" CA 117 1.287 -0.016 1.292 25969 17 1 3 "Average Difference" CB 106 3.063 -0.613 3.015 25969 18 1 3 "Average Difference" HN 113 0.566 -0.151 0.548 25969 19 1 4 "Average Difference" N 113 3.567 -0.001 3.583 25969 20 1 4 "Average Difference" HA 128 0.310 -0.014 0.311 25969 21 1 4 "Average Difference" C 116 1.159 -0.182 1.150 25969 22 1 4 "Average Difference" CA 117 1.202 -0.009 1.207 25969 23 1 4 "Average Difference" CB 106 3.025 -0.686 2.960 25969 24 1 4 "Average Difference" HN 113 0.564 -0.192 0.533 25969 25 1 5 "Average Difference" N 113 3.506 -0.097 3.520 25969 26 1 5 "Average Difference" HA 128 0.318 0.002 0.319 25969 27 1 5 "Average Difference" C 116 1.201 -0.250 1.179 25969 28 1 5 "Average Difference" CA 117 1.146 -0.079 1.149 25969 29 1 5 "Average Difference" CB 106 3.040 -0.632 2.988 25969 30 1 5 "Average Difference" HN 113 0.566 -0.182 0.538 25969 31 1 6 "Average Difference" N 113 3.556 0.172 3.567 25969 32 1 6 "Average Difference" HA 128 0.320 0.014 0.321 25969 33 1 6 "Average Difference" C 116 1.226 -0.263 1.203 25969 34 1 6 "Average Difference" CA 117 1.200 -0.029 1.205 25969 35 1 6 "Average Difference" CB 106 3.029 -0.659 2.971 25969 36 1 6 "Average Difference" HN 113 0.563 -0.143 0.547 25969 37 1 7 "Average Difference" N 113 3.523 0.099 3.538 25969 38 1 7 "Average Difference" HA 128 0.315 0.002 0.316 25969 39 1 7 "Average Difference" C 116 1.195 -0.250 1.173 25969 40 1 7 "Average Difference" CA 117 1.172 -0.059 1.175 25969 41 1 7 "Average Difference" CB 106 3.028 -0.651 2.971 25969 42 1 7 "Average Difference" HN 113 0.555 -0.149 0.537 25969 43 1 8 "Average Difference" N 113 3.561 0.019 3.577 25969 44 1 8 "Average Difference" HA 128 0.320 -0.016 0.321 25969 45 1 8 "Average Difference" C 116 1.149 -0.226 1.131 25969 46 1 8 "Average Difference" CA 117 1.224 -0.042 1.229 25969 47 1 8 "Average Difference" CB 106 3.084 -0.733 3.010 25969 48 1 8 "Average Difference" HN 113 0.574 -0.191 0.544 25969 49 1 9 "Average Difference" N 113 3.546 -0.031 3.561 25969 50 1 9 "Average Difference" HA 128 0.327 -0.008 0.328 25969 51 1 9 "Average Difference" C 116 1.239 -0.287 1.210 25969 52 1 9 "Average Difference" CA 117 1.198 -0.047 1.202 25969 53 1 9 "Average Difference" CB 106 3.076 -0.587 3.034 25969 54 1 9 "Average Difference" HN 113 0.552 -0.162 0.530 25969 55 1 10 "Average Difference" N 113 3.483 0.023 3.498 25969 56 1 10 "Average Difference" HA 128 0.314 0.001 0.316 25969 57 1 10 "Average Difference" C 116 1.191 -0.251 1.170 25969 58 1 10 "Average Difference" CA 117 1.219 -0.012 1.224 25969 59 1 10 "Average Difference" CB 106 3.081 -0.669 3.022 25969 60 1 10 "Average Difference" HN 113 0.582 -0.166 0.560 25969 61 1 11 "Average Difference" N 113 3.515 0.159 3.527 25969 62 1 11 "Average Difference" HA 128 0.322 -0.019 0.323 25969 63 1 11 "Average Difference" C 116 1.170 -0.221 1.154 25969 64 1 11 "Average Difference" CA 117 1.223 -0.024 1.228 25969 65 1 11 "Average Difference" CB 106 3.068 -0.704 3.000 25969 66 1 11 "Average Difference" HN 113 0.563 -0.166 0.540 25969 67 1 12 "Average Difference" N 113 3.511 0.154 3.523 25969 68 1 12 "Average Difference" HA 128 0.310 -0.006 0.311 25969 69 1 12 "Average Difference" C 116 1.214 -0.209 1.201 25969 70 1 12 "Average Difference" CA 117 1.259 0.059 1.263 25969 71 1 12 "Average Difference" CB 106 3.020 -0.652 2.963 25969 72 1 12 "Average Difference" HN 113 0.565 -0.151 0.547 25969 73 1 13 "Average Difference" N 113 3.620 0.060 3.635 25969 74 1 13 "Average Difference" HA 128 0.303 -0.008 0.304 25969 75 1 13 "Average Difference" C 116 1.199 -0.247 1.178 25969 76 1 13 "Average Difference" CA 117 1.200 -0.026 1.205 25969 77 1 13 "Average Difference" CB 106 3.018 -0.647 2.962 25969 78 1 13 "Average Difference" HN 113 0.557 -0.158 0.536 25969 79 1 14 "Average Difference" N 113 3.609 -0.056 3.625 25969 80 1 14 "Average Difference" HA 128 0.321 -0.001 0.323 25969 81 1 14 "Average Difference" C 116 1.151 -0.241 1.131 25969 82 1 14 "Average Difference" CA 117 1.178 -0.055 1.182 25969 83 1 14 "Average Difference" CB 106 2.998 -0.646 2.941 25969 84 1 14 "Average Difference" HN 113 0.556 -0.186 0.527 25969 85 1 15 "Average Difference" N 113 3.614 -0.137 3.627 25969 86 1 15 "Average Difference" HA 128 0.329 -0.002 0.330 25969 87 1 15 "Average Difference" C 116 1.175 -0.241 1.155 25969 88 1 15 "Average Difference" CA 117 1.218 -0.026 1.223 25969 89 1 15 "Average Difference" CB 106 3.022 -0.642 2.968 25969 90 1 15 "Average Difference" HN 113 0.566 -0.169 0.542 25969 91 1 16 "Average Difference" N 113 3.545 0.100 3.559 25969 92 1 16 "Average Difference" HA 128 0.318 -0.005 0.320 25969 93 1 16 "Average Difference" C 116 1.209 -0.213 1.195 25969 94 1 16 "Average Difference" CA 117 1.170 0.004 1.175 25969 95 1 16 "Average Difference" CB 106 3.086 -0.716 3.016 25969 96 1 16 "Average Difference" HN 113 0.562 -0.162 0.540 25969 97 1 17 "Average Difference" N 113 3.481 -0.094 3.495 25969 98 1 17 "Average Difference" HA 128 0.327 -0.019 0.328 25969 99 1 17 "Average Difference" C 116 1.182 -0.287 1.152 25969 100 1 17 "Average Difference" CA 117 1.206 -0.044 1.211 25969 101 1 17 "Average Difference" CB 106 3.054 -0.596 3.009 25969 102 1 17 "Average Difference" HN 113 0.571 -0.184 0.543 25969 103 1 18 "Average Difference" N 113 3.470 0.046 3.485 25969 104 1 18 "Average Difference" HA 128 0.327 -0.013 0.328 25969 105 1 18 "Average Difference" C 116 1.155 -0.187 1.145 25969 106 1 18 "Average Difference" CA 117 1.206 -0.020 1.211 25969 107 1 18 "Average Difference" CB 106 3.044 -0.712 2.973 25969 108 1 18 "Average Difference" HN 113 0.569 -0.184 0.541 25969 109 1 19 "Average Difference" N 113 3.399 0.019 3.414 25969 110 1 19 "Average Difference" HA 128 0.327 -0.018 0.327 25969 111 1 19 "Average Difference" C 116 1.226 -0.298 1.195 25969 112 1 19 "Average Difference" CA 117 1.217 -0.056 1.220 25969 113 1 19 "Average Difference" CB 106 3.063 -0.608 3.017 25969 114 1 19 "Average Difference" HN 113 0.566 -0.164 0.544 25969 115 1 20 "Average Difference" N 113 3.560 0.055 3.575 25969 116 1 20 "Average Difference" HA 128 0.319 0.001 0.320 25969 117 1 20 "Average Difference" C 116 1.238 -0.279 1.211 25969 118 1 20 "Average Difference" CA 117 1.196 -0.061 1.199 25969 119 1 20 "Average Difference" CB 106 3.087 -0.665 3.029 25969 120 1 20 "Average Difference" HN 113 0.553 -0.146 0.535 25969 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 25969 _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 7 7 ARG N N 7 122.494 122.494 122.267 0.227 25969 2 1 . 1 1 7 7 ARG HA H 7 4.350 4.350 4.434 -0.084 25969 3 1 . 1 1 7 7 ARG C C 7 177.037 177.037 175.342 1.695 25969 4 1 . 1 1 7 7 ARG CA C 7 56.724 56.724 56.023 0.701 25969 5 1 . 1 1 7 7 ARG CB C 7 30.881 30.881 31.093 -0.212 25969 6 1 . 1 1 7 7 ARG H H 7 8.649 8.649 8.335 0.314 25969 7 1 . 1 1 8 8 SER N N 8 117.535 117.535 116.148 1.387 25969 8 1 . 1 1 8 8 SER HA H 8 4.384 4.384 4.350 0.034 25969 9 1 . 1 1 8 8 SER C C 8 174.613 174.613 174.177 0.436 25969 10 1 . 1 1 8 8 SER CA C 8 59.412 59.412 58.712 0.700 25969 11 1 . 1 1 8 8 SER CB C 8 63.686 63.686 62.906 0.780 25969 12 1 . 1 1 8 8 SER H H 8 8.522 8.522 8.084 0.438 25969 13 1 . 1 1 9 9 ALA N N 9 126.336 126.336 127.511 -1.175 25969 14 1 . 1 1 9 9 ALA HA H 9 4.465 4.465 4.480 -0.015 25969 15 1 . 1 1 9 9 ALA C C 9 178.349 178.349 178.530 -0.181 25969 16 1 . 1 1 9 9 ALA CA C 9 53.067 53.067 52.479 0.588 25969 17 1 . 1 1 9 9 ALA CB C 9 18.914 18.914 19.960 -1.046 25969 18 1 . 1 1 9 9 ALA H H 9 8.415 8.415 7.970 0.445 25969 19 1 . 1 1 10 10 ASN N N 10 121.438 121.438 117.826 3.612 25969 20 1 . 1 1 10 10 ASN HA H 10 4.686 4.686 4.725 -0.039 25969 21 1 . 1 1 10 10 ASN C C 10 175.571 175.571 175.624 -0.053 25969 22 1 . 1 1 10 10 ASN CA C 10 53.247 53.247 53.509 -0.262 25969 23 1 . 1 1 10 10 ASN CB C 10 39.125 39.125 36.916 2.209 25969 24 1 . 1 1 10 10 ASN H H 10 9.263 9.263 9.152 0.110 25969 25 1 . 1 1 11 11 LEU N N 11 125.021 125.021 120.346 4.675 25969 26 1 . 1 1 11 11 LEU HA H 11 3.621 3.621 2.867 0.754 25969 27 1 . 1 1 11 11 LEU C C 11 178.567 178.567 177.765 0.802 25969 28 1 . 1 1 11 11 LEU CA C 11 58.886 58.886 57.423 1.463 25969 29 1 . 1 1 11 11 LEU CB C 11 42.260 42.260 41.135 1.125 25969 30 1 . 1 1 11 11 LEU H H 11 8.560 8.560 7.908 0.652 25969 31 1 . 1 1 12 12 ARG N N 12 117.977 117.977 118.390 -0.413 25969 32 1 . 1 1 12 12 ARG HA H 12 4.134 4.134 4.118 0.016 25969 33 1 . 1 1 12 12 ARG C C 12 179.350 179.350 178.496 0.854 25969 34 1 . 1 1 12 12 ARG CA C 12 60.347 60.347 58.150 2.197 25969 35 1 . 1 1 12 12 ARG CB C 12 29.691 29.691 28.644 1.047 25969 36 1 . 1 1 12 12 ARG H H 12 8.114 8.114 8.209 -0.095 25969 37 1 . 1 1 13 13 ALA N N 13 123.280 123.280 121.551 1.730 25969 38 1 . 1 1 13 13 ALA HA H 13 4.213 4.213 4.229 -0.016 25969 39 1 . 1 1 13 13 ALA C C 13 180.957 180.957 179.421 1.536 25969 40 1 . 1 1 13 13 ALA CA C 13 54.402 54.402 54.526 -0.124 25969 41 1 . 1 1 13 13 ALA CB C 13 17.869 17.869 18.210 -0.341 25969 42 1 . 1 1 13 13 ALA H H 13 7.871 7.871 7.812 0.059 25969 43 1 . 1 1 14 14 ALA N N 14 122.111 122.111 120.994 1.117 25969 44 1 . 1 1 14 14 ALA HA H 14 3.705 3.705 3.953 -0.248 25969 45 1 . 1 1 14 14 ALA C C 14 178.578 178.578 178.965 -0.387 25969 46 1 . 1 1 14 14 ALA CA C 14 55.404 55.404 54.455 0.949 25969 47 1 . 1 1 14 14 ALA CB C 14 17.260 17.260 17.921 -0.661 25969 48 1 . 1 1 14 14 ALA H H 14 7.930 7.930 7.257 0.673 25969 49 1 . 1 1 15 15 HIS N N 15 118.502 118.502 117.692 0.810 25969 50 1 . 1 1 15 15 HIS HA H 15 3.776 3.776 4.207 -0.431 25969 51 1 . 1 1 15 15 HIS C C 15 176.304 176.304 177.017 -0.713 25969 52 1 . 1 1 15 15 HIS CA C 15 60.031 60.031 59.996 0.035 25969 53 1 . 1 1 15 15 HIS CB C 15 31.370 31.370 29.689 1.681 25969 54 1 . 1 1 15 15 HIS H H 15 8.422 8.422 8.759 -0.336 25969 55 1 . 1 1 16 16 ALA N N 16 120.116 120.116 119.777 0.339 25969 56 1 . 1 1 16 16 ALA HA H 16 3.854 3.854 4.326 -0.472 25969 57 1 . 1 1 16 16 ALA C C 16 180.644 180.644 178.748 1.896 25969 58 1 . 1 1 16 16 ALA CA C 16 55.471 55.471 53.856 1.615 25969 59 1 . 1 1 16 16 ALA CB C 16 17.802 17.802 18.765 -0.963 25969 60 1 . 1 1 16 16 ALA H H 16 7.980 7.980 7.634 0.346 25969 61 1 . 1 1 17 17 ALA N N 17 121.281 121.281 123.071 -1.791 25969 62 1 . 1 1 17 17 ALA HA H 17 4.176 4.176 4.077 0.099 25969 63 1 . 1 1 17 17 ALA C C 17 180.122 180.122 179.205 0.917 25969 64 1 . 1 1 17 17 ALA CA C 17 54.469 54.469 54.822 -0.353 25969 65 1 . 1 1 17 17 ALA CB C 17 20.140 20.140 18.505 1.635 25969 66 1 . 1 1 17 17 ALA H H 17 7.465 7.465 7.372 0.093 25969 67 1 . 1 1 18 18 LEU N N 18 120.262 120.262 118.286 1.976 25969 68 1 . 1 1 18 18 LEU HA H 18 3.807 3.807 4.073 -0.266 25969 69 1 . 1 1 18 18 LEU C C 18 178.766 178.766 179.385 -0.619 25969 70 1 . 1 1 18 18 LEU CA C 18 58.744 58.744 57.365 1.379 25969 71 1 . 1 1 18 18 LEU CB C 18 40.711 40.711 39.863 0.848 25969 72 1 . 1 1 18 18 LEU H H 18 8.468 8.468 8.501 -0.033 25969 73 1 . 1 1 19 19 LEU N N 19 119.078 119.078 121.192 -2.114 25969 74 1 . 1 1 19 19 LEU HA H 19 3.862 3.862 4.165 -0.303 25969 75 1 . 1 1 19 19 LEU C C 19 179.517 179.517 178.379 1.138 25969 76 1 . 1 1 19 19 LEU CA C 19 58.009 58.009 58.491 -0.482 25969 77 1 . 1 1 19 19 LEU CB C 19 41.445 41.445 41.078 0.367 25969 78 1 . 1 1 19 19 LEU H H 19 8.029 8.029 7.549 0.480 25969 79 1 . 1 1 20 20 GLU N N 20 121.499 121.499 119.654 1.845 25969 80 1 . 1 1 20 20 GLU HA H 20 4.027 4.027 4.017 0.010 25969 81 1 . 1 1 20 20 GLU C C 20 180.289 180.289 179.210 1.079 25969 82 1 . 1 1 20 20 GLU CA C 20 59.879 59.879 59.654 0.225 25969 83 1 . 1 1 20 20 GLU CB C 20 29.290 29.290 29.406 -0.116 25969 84 1 . 1 1 20 20 GLU H H 20 7.895 7.895 8.601 -0.706 25969 85 1 . 1 1 21 21 ASN N N 21 119.066 119.066 117.806 1.260 25969 86 1 . 1 1 21 21 ASN HA H 21 4.538 4.538 4.691 -0.153 25969 87 1 . 1 1 21 21 ASN C C 21 177.368 177.368 177.194 0.174 25969 88 1 . 1 1 21 21 ASN CA C 21 55.872 55.872 55.840 0.032 25969 89 1 . 1 1 21 21 ASN CB C 21 40.444 40.444 38.802 1.642 25969 90 1 . 1 1 21 21 ASN H H 21 8.373 8.373 8.395 -0.022 25969 91 1 . 1 1 22 22 ALA N N 22 125.274 125.274 123.989 1.285 25969 92 1 . 1 1 22 22 ALA HA H 22 3.773 3.773 4.021 -0.248 25969 93 1 . 1 1 22 22 ALA C C 22 179.402 179.402 179.878 -0.476 25969 94 1 . 1 1 22 22 ALA CA C 22 55.471 55.471 55.257 0.214 25969 95 1 . 1 1 22 22 ALA CB C 22 18.220 18.220 18.631 -0.412 25969 96 1 . 1 1 22 22 ALA H H 22 8.886 8.886 8.429 0.457 25969 97 1 . 1 1 23 23 ARG N N 23 119.945 119.945 116.972 2.973 25969 98 1 . 1 1 23 23 ARG HA H 23 4.197 4.197 4.179 0.018 25969 99 1 . 1 1 23 23 ARG C C 23 179.726 179.726 178.400 1.326 25969 100 1 . 1 1 23 23 ARG CA C 23 59.812 59.812 58.957 0.855 25969 101 1 . 1 1 23 23 ARG CB C 23 29.691 29.691 29.797 -0.106 25969 102 1 . 1 1 23 23 ARG H H 23 8.168 8.168 8.327 -0.159 25969 103 1 . 1 1 24 24 PHE N N 24 121.222 121.222 120.476 0.746 25969 104 1 . 1 1 24 24 PHE HA H 24 4.367 4.367 4.458 -0.091 25969 105 1 . 1 1 24 24 PHE C C 24 177.410 177.410 177.905 -0.495 25969 106 1 . 1 1 24 24 PHE CA C 24 61.348 61.348 61.609 -0.261 25969 107 1 . 1 1 24 24 PHE CB C 24 37.906 37.906 39.058 -1.152 25969 108 1 . 1 1 24 24 PHE H H 24 7.658 7.658 7.698 -0.040 25969 109 1 . 1 1 25 25 MET N N 25 120.355 120.355 118.556 1.799 25969 110 1 . 1 1 25 25 MET HA H 25 4.300 4.300 4.566 -0.266 25969 111 1 . 1 1 25 25 MET C C 25 179.371 179.371 178.375 0.996 25969 112 1 . 1 1 25 25 MET CA C 25 55.939 55.939 56.575 -0.636 25969 113 1 . 1 1 25 25 MET CB C 25 29.424 29.424 31.274 -1.850 25969 114 1 . 1 1 25 25 MET H H 25 8.358 8.358 9.022 -0.664 25969 115 1 . 1 1 26 26 GLU N N 26 120.164 120.164 119.771 0.393 25969 116 1 . 1 1 26 26 GLU HA H 26 4.338 4.338 4.303 0.035 25969 117 1 . 1 1 26 26 GLU C C 26 179.934 179.934 179.828 0.106 25969 118 1 . 1 1 26 26 GLU CA C 26 60.053 60.053 59.573 0.480 25969 119 1 . 1 1 26 26 GLU CB C 26 29.484 29.484 29.375 0.109 25969 120 1 . 1 1 26 26 GLU H H 26 8.441 8.441 8.513 -0.072 25969 121 1 . 1 1 27 27 GLN N N 27 121.309 121.309 118.990 2.319 25969 122 1 . 1 1 27 27 GLN HA H 27 4.132 4.132 4.234 -0.102 25969 123 1 . 1 1 27 27 GLN C C 27 178.307 178.307 178.196 0.111 25969 124 1 . 1 1 27 27 GLN CA C 27 58.610 58.610 58.058 0.552 25969 125 1 . 1 1 27 27 GLN CB C 27 28.088 28.088 28.835 -0.747 25969 126 1 . 1 1 27 27 GLN H H 27 8.001 8.001 8.231 -0.230 25969 127 1 . 1 1 28 28 PHE N N 28 124.569 124.569 121.969 2.600 25969 128 1 . 1 1 28 28 PHE HA H 28 3.814 3.814 4.011 -0.197 25969 129 1 . 1 1 28 28 PHE C C 28 177.717 177.717 177.507 0.210 25969 130 1 . 1 1 28 28 PHE CA C 28 62.192 62.192 61.585 0.607 25969 131 1 . 1 1 28 28 PHE CB C 28 39.343 39.343 39.047 0.296 25969 132 1 . 1 1 28 28 PHE H H 28 8.760 8.760 8.455 0.305 25969 133 1 . 1 1 29 29 TYR N N 29 121.726 121.726 119.590 2.136 25969 134 1 . 1 1 29 29 TYR HA H 29 3.795 3.795 4.119 -0.324 25969 135 1 . 1 1 29 29 TYR C C 29 179.079 179.079 176.917 2.162 25969 136 1 . 1 1 29 29 TYR CA C 29 60.948 60.948 61.240 -0.292 25969 137 1 . 1 1 29 29 TYR CB C 29 38.707 38.707 38.569 0.138 25969 138 1 . 1 1 29 29 TYR H H 29 8.956 8.956 8.425 0.531 25969 139 1 . 1 1 30 30 ALA N N 30 121.142 121.142 120.069 1.073 25969 140 1 . 1 1 30 30 ALA HA H 30 4.048 4.048 4.101 -0.053 25969 141 1 . 1 1 30 30 ALA C C 30 174.781 174.781 178.504 -3.723 25969 142 1 . 1 1 30 30 ALA CA C 30 54.870 54.870 54.215 0.656 25969 143 1 . 1 1 30 30 ALA CB C 30 17.869 17.869 18.302 -0.433 25969 144 1 . 1 1 30 30 ALA H H 30 8.063 8.063 7.716 0.347 25969 145 1 . 1 1 31 31 LYS N N 31 114.745 114.745 115.545 -0.800 25969 146 1 . 1 1 31 31 LYS HA H 31 4.188 4.188 4.217 -0.029 25969 147 1 . 1 1 31 31 LYS C C 31 177.744 177.744 177.183 0.561 25969 148 1 . 1 1 31 31 LYS CA C 31 57.408 57.408 57.482 -0.074 25969 149 1 . 1 1 31 31 LYS CB C 31 33.175 33.175 33.395 -0.221 25969 150 1 . 1 1 31 31 LYS H H 31 7.172 7.172 7.927 -0.755 25969 151 1 . 1 1 32 32 LYS N N 32 117.388 117.388 117.196 0.192 25969 152 1 . 1 1 32 32 LYS HA H 32 4.113 4.113 4.244 -0.131 25969 153 1 . 1 1 32 32 LYS C C 32 177.747 177.747 176.620 1.127 25969 154 1 . 1 1 32 32 LYS CA C 32 55.805 55.805 56.199 -0.394 25969 155 1 . 1 1 32 32 LYS CB C 32 33.898 33.898 34.467 -0.569 25969 156 1 . 1 1 32 32 LYS H H 32 8.154 8.154 7.742 0.412 25969 157 1 . 1 1 33 33 GLY N N 33 109.017 109.017 105.963 3.054 25969 158 1 . 1 1 33 33 GLY C C 33 171.798 171.798 173.297 -1.499 25969 159 1 . 1 1 33 33 GLY CA C 33 44.651 44.651 44.677 -0.026 25969 160 1 . 1 1 33 33 GLY H H 33 8.945 8.945 8.219 0.726 25969 161 1 . 1 1 34 34 SER N N 34 110.165 110.165 114.151 -3.986 25969 162 1 . 1 1 34 34 SER HA H 34 4.136 4.136 5.149 -1.013 25969 163 1 . 1 1 34 34 SER C C 34 172.862 172.862 173.463 -0.601 25969 164 1 . 1 1 34 34 SER CA C 34 56.673 56.673 57.808 -1.135 25969 165 1 . 1 1 34 34 SER CB C 34 64.621 64.621 65.952 -1.331 25969 166 1 . 1 1 34 34 SER H H 34 6.756 6.756 7.659 -0.903 25969 167 1 . 1 1 35 35 PHE N N 35 121.132 121.132 121.266 -0.134 25969 168 1 . 1 1 35 35 PHE HA H 35 5.114 5.114 4.830 0.284 25969 169 1 . 1 1 35 35 PHE C C 35 172.888 172.888 175.697 -2.809 25969 170 1 . 1 1 35 35 PHE CA C 35 59.260 59.260 59.160 0.100 25969 171 1 . 1 1 35 35 PHE CB C 35 40.488 40.488 40.304 0.184 25969 172 1 . 1 1 35 35 PHE H H 35 9.403 9.403 8.907 0.496 25969 173 1 . 1 1 36 36 LYS N N 36 114.841 114.841 120.517 -5.676 25969 174 1 . 1 1 36 36 LYS HA H 36 4.384 4.384 4.402 -0.018 25969 175 1 . 1 1 36 36 LYS C C 36 177.118 177.118 176.752 0.366 25969 176 1 . 1 1 36 36 LYS CA C 36 56.272 56.272 56.796 -0.524 25969 177 1 . 1 1 36 36 LYS CB C 36 33.097 33.097 33.488 -0.391 25969 178 1 . 1 1 36 36 LYS H H 36 8.536 8.536 8.133 0.403 25969 179 1 . 1 1 37 37 LEU N N 37 124.789 124.789 119.852 4.937 25969 180 1 . 1 1 37 37 LEU HA H 37 4.450 4.450 4.723 -0.273 25969 181 1 . 1 1 37 37 LEU C C 37 177.535 177.535 176.952 0.583 25969 182 1 . 1 1 37 37 LEU CA C 37 57.742 57.742 55.502 2.240 25969 183 1 . 1 1 37 37 LEU CB C 37 44.251 44.251 42.352 1.899 25969 184 1 . 1 1 37 37 LEU H H 37 8.503 8.503 8.411 0.092 25969 185 1 . 1 1 38 38 THR N N 38 108.556 108.556 112.490 -3.934 25969 186 1 . 1 1 38 38 THR HA H 38 4.619 4.619 4.541 0.078 25969 187 1 . 1 1 38 38 THR C C 38 173.947 173.947 173.078 0.869 25969 188 1 . 1 1 38 38 THR CA C 38 58.944 58.944 60.270 -1.326 25969 189 1 . 1 1 38 38 THR CB C 38 71.818 71.818 70.581 1.237 25969 190 1 . 1 1 38 38 THR H H 38 8.189 8.189 7.534 0.655 25969 191 1 . 1 1 39 39 SER N N 39 110.757 110.757 118.630 -7.873 25969 192 1 . 1 1 39 39 SER HA H 39 4.057 4.057 4.392 -0.335 25969 193 1 . 1 1 39 39 SER C C 39 174.904 174.904 174.716 0.188 25969 194 1 . 1 1 39 39 SER CA C 39 60.938 60.938 59.574 1.364 25969 195 1 . 1 1 39 39 SER CB C 39 63.218 63.218 63.348 -0.130 25969 196 1 . 1 1 39 39 SER H H 39 8.590 8.590 8.489 0.101 25969 197 1 . 1 1 40 40 THR N N 40 129.807 129.807 112.493 17.314 25969 198 1 . 1 1 40 40 THR HA H 40 4.453 4.453 3.798 0.655 25969 199 1 . 1 1 40 40 THR C C 40 174.928 174.928 173.150 1.778 25969 200 1 . 1 1 40 40 THR CA C 40 60.351 60.351 62.773 -2.422 25969 201 1 . 1 1 40 40 THR CB C 40 69.910 69.910 67.708 2.202 25969 202 1 . 1 1 40 40 THR H H 40 7.570 7.570 8.354 -0.784 25969 203 1 . 1 1 41 41 LYS N N 41 125.614 125.614 119.586 6.028 25969 204 1 . 1 1 41 41 LYS HA H 41 4.712 4.712 4.609 0.103 25969 205 1 . 1 1 41 41 LYS C C 41 174.907 174.907 174.339 0.568 25969 206 1 . 1 1 41 41 LYS CA C 41 55.738 55.738 54.686 1.052 25969 207 1 . 1 1 41 41 LYS CB C 41 37.042 37.042 35.711 1.331 25969 208 1 . 1 1 41 41 LYS H H 41 7.425 7.425 7.769 -0.344 25969 209 1 . 1 1 42 42 TRP N N 42 124.827 124.827 122.945 1.882 25969 210 1 . 1 1 42 42 TRP HA H 42 5.102 5.102 5.102 0.000 25969 211 1 . 1 1 42 42 TRP C C 42 173.384 173.384 174.639 -1.255 25969 212 1 . 1 1 42 42 TRP CA C 42 54.402 54.402 53.026 1.376 25969 213 1 . 1 1 42 42 TRP CB C 42 29.891 29.891 29.946 -0.055 25969 214 1 . 1 1 42 42 TRP H H 42 8.590 8.590 8.643 -0.053 25969 215 1 . 1 1 43 43 PRO HA H 43 4.447 4.447 4.482 -0.035 25969 216 1 . 1 1 43 43 PRO C C 43 174.990 174.990 176.072 -1.082 25969 217 1 . 1 1 43 43 PRO CA C 43 62.551 62.551 62.773 -0.222 25969 218 1 . 1 1 43 43 PRO CB C 43 32.095 32.095 32.379 -0.284 25969 219 1 . 1 1 44 44 GLU N N 44 120.080 120.080 122.896 -2.816 25969 220 1 . 1 1 44 44 GLU HA H 44 3.965 3.965 4.162 -0.197 25969 221 1 . 1 1 44 44 GLU C C 44 175.699 175.699 176.320 -0.620 25969 222 1 . 1 1 44 44 GLU CA C 44 56.206 56.206 56.358 -0.152 25969 223 1 . 1 1 44 44 GLU CB C 44 29.582 29.582 30.577 -0.995 25969 224 1 . 1 1 44 44 GLU H H 44 8.134 8.134 8.427 -0.293 25969 225 1 . 1 1 45 45 LEU N N 45 125.972 125.972 123.621 2.351 25969 226 1 . 1 1 45 45 LEU HA H 45 3.963 3.963 4.695 -0.732 25969 227 1 . 1 1 45 45 LEU C C 45 176.242 176.242 175.344 0.898 25969 228 1 . 1 1 45 45 LEU CA C 45 51.731 51.731 52.281 -0.550 25969 229 1 . 1 1 45 45 LEU CB C 45 41.312 41.312 41.362 -0.050 25969 230 1 . 1 1 45 45 LEU H H 45 8.363 8.363 8.177 0.186 25969 231 1 . 1 1 46 46 PRO HA H 46 4.174 4.174 4.164 0.010 25969 232 1 . 1 1 46 46 PRO C C 46 177.702 177.702 176.106 1.596 25969 233 1 . 1 1 46 46 PRO CA C 46 63.820 63.820 63.538 0.282 25969 234 1 . 1 1 46 46 PRO CB C 46 31.561 31.561 31.992 -0.431 25969 235 1 . 1 1 47 47 VAL N N 47 119.474 119.474 118.623 0.851 25969 236 1 . 1 1 47 47 VAL HA H 47 4.235 4.235 3.900 0.335 25969 237 1 . 1 1 47 47 VAL C C 47 175.178 175.178 175.372 -0.194 25969 238 1 . 1 1 47 47 VAL CA C 47 62.016 62.016 62.566 -0.550 25969 239 1 . 1 1 47 47 VAL CB C 47 32.148 32.148 32.612 -0.464 25969 240 1 . 1 1 47 47 VAL H H 47 7.836 7.836 8.036 -0.200 25969 241 1 . 1 1 48 48 LYS N N 48 124.385 124.385 123.806 0.579 25969 242 1 . 1 1 48 48 LYS HA H 48 4.309 4.309 4.624 -0.316 25969 243 1 . 1 1 48 48 LYS C C 48 176.534 176.534 175.469 1.065 25969 244 1 . 1 1 48 48 LYS CA C 48 57.141 57.141 56.106 1.035 25969 245 1 . 1 1 48 48 LYS CB C 48 33.832 33.832 33.573 0.259 25969 246 1 . 1 1 48 48 LYS H H 48 8.638 8.638 8.347 0.291 25969 247 1 . 1 1 49 49 GLU N N 49 118.262 118.262 117.921 0.341 25969 248 1 . 1 1 49 49 GLU HA H 49 5.231 5.231 4.600 0.631 25969 249 1 . 1 1 49 49 GLU C C 49 174.552 174.552 174.301 0.251 25969 250 1 . 1 1 49 49 GLU CA C 49 55.271 55.271 55.846 -0.575 25969 251 1 . 1 1 49 49 GLU CB C 49 33.297 33.297 31.909 1.388 25969 252 1 . 1 1 49 49 GLU H H 49 7.473 7.473 7.663 -0.190 25969 253 1 . 1 1 50 50 ALA N N 50 124.186 124.186 128.195 -4.010 25969 254 1 . 1 1 50 50 ALA HA H 50 4.451 4.451 4.581 -0.130 25969 255 1 . 1 1 50 50 ALA C C 50 177.890 177.890 176.998 0.892 25969 256 1 . 1 1 50 50 ALA CA C 50 53.133 53.133 52.363 0.770 25969 257 1 . 1 1 50 50 ALA CB C 50 23.613 23.613 20.283 3.331 25969 258 1 . 1 1 50 50 ALA H H 50 8.902 8.902 8.893 0.009 25969 259 1 . 1 1 51 51 GLY N N 51 109.041 109.041 104.978 4.063 25969 260 1 . 1 1 51 51 GLY C C 51 173.759 173.759 174.705 -0.946 25969 261 1 . 1 1 51 51 GLY CA C 51 47.657 47.657 46.051 1.606 25969 262 1 . 1 1 51 51 GLY H H 51 9.113 9.113 8.434 0.679 25969 263 1 . 1 1 52 52 GLY N N 52 104.272 104.272 106.351 -2.079 25969 264 1 . 1 1 52 52 GLY C C 52 174.156 174.156 172.971 1.185 25969 265 1 . 1 1 52 52 GLY CA C 52 45.520 45.520 45.003 0.517 25969 266 1 . 1 1 52 52 GLY H H 52 8.873 8.873 8.411 0.462 25969 267 1 . 1 1 53 53 PHE N N 53 120.324 120.324 119.672 0.652 25969 268 1 . 1 1 53 53 PHE HA H 53 5.157 5.157 5.458 -0.301 25969 269 1 . 1 1 53 53 PHE C C 53 175.574 175.574 174.206 1.369 25969 270 1 . 1 1 53 53 PHE CA C 53 56.940 56.940 55.103 1.837 25969 271 1 . 1 1 53 53 PHE CB C 53 41.379 41.379 43.171 -1.792 25969 272 1 . 1 1 53 53 PHE H H 53 8.278 8.278 7.618 0.660 25969 273 1 . 1 1 54 54 CYS N N 54 116.465 116.465 118.929 -2.464 25969 274 1 . 1 1 54 54 CYS HA H 54 5.660 5.660 4.958 0.703 25969 275 1 . 1 1 54 54 CYS C C 54 173.092 173.092 173.199 -0.107 25969 276 1 . 1 1 54 54 CYS CA C 54 54.997 54.997 57.025 -2.028 25969 277 1 . 1 1 54 54 CYS CB C 54 44.496 44.496 29.062 15.434 25969 278 1 . 1 1 54 54 CYS H H 54 9.911 9.911 9.179 0.732 25969 279 1 . 1 1 55 55 ILE N N 55 119.910 119.910 124.235 -4.325 25969 280 1 . 1 1 55 55 ILE HA H 55 5.311 5.311 5.096 0.215 25969 281 1 . 1 1 55 55 ILE C C 55 175.366 175.366 175.673 -0.307 25969 282 1 . 1 1 55 55 ILE CA C 55 60.480 60.480 60.054 0.426 25969 283 1 . 1 1 55 55 ILE CB C 55 40.699 40.699 41.265 -0.566 25969 284 1 . 1 1 55 55 ILE H H 55 7.971 7.971 8.502 -0.531 25969 285 1 . 1 1 56 56 ARG N N 56 122.445 122.445 120.980 1.465 25969 286 1 . 1 1 56 56 ARG HA H 56 4.621 4.621 4.714 -0.093 25969 287 1 . 1 1 56 56 ARG C C 56 174.948 174.948 174.235 0.713 25969 288 1 . 1 1 56 56 ARG CA C 56 53.467 53.467 54.059 -0.592 25969 289 1 . 1 1 56 56 ARG CB C 56 36.410 36.410 35.050 1.361 25969 290 1 . 1 1 56 56 ARG H H 56 8.927 8.927 8.169 0.758 25969 291 1 . 1 1 57 57 MET N N 57 119.875 119.875 120.071 -0.196 25969 292 1 . 1 1 57 57 MET HA H 57 4.574 4.574 4.430 0.144 25969 293 1 . 1 1 57 57 MET C C 57 175.845 175.845 175.996 -0.151 25969 294 1 . 1 1 57 57 MET CA C 57 55.204 55.204 56.052 -0.847 25969 295 1 . 1 1 57 57 MET CB C 57 32.162 32.162 34.012 -1.850 25969 296 1 . 1 1 57 57 MET H H 57 9.022 9.022 8.689 0.333 25969 297 1 . 1 1 58 58 SER N N 58 114.338 114.338 117.370 -3.032 25969 298 1 . 1 1 58 58 SER HA H 58 5.138 5.138 4.361 0.777 25969 299 1 . 1 1 58 58 SER C C 58 175.866 175.866 175.118 0.748 25969 300 1 . 1 1 58 58 SER CA C 58 56.084 56.084 59.717 -3.633 25969 301 1 . 1 1 58 58 SER CB C 58 63.977 63.977 63.974 0.003 25969 302 1 . 1 1 58 58 SER H H 58 8.559 8.559 8.542 0.017 25969 303 1 . 1 1 59 59 GLY N N 59 116.880 116.880 108.253 8.627 25969 304 1 . 1 1 59 59 GLY C C 59 172.257 172.257 173.861 -1.604 25969 305 1 . 1 1 59 59 GLY CA C 59 43.702 43.702 45.112 -1.410 25969 306 1 . 1 1 59 59 GLY H H 59 8.919 8.919 8.111 0.808 25969 307 1 . 1 1 60 60 GLN N N 60 121.745 121.745 119.051 2.694 25969 308 1 . 1 1 60 60 GLN HA H 60 4.391 4.391 4.483 -0.092 25969 309 1 . 1 1 60 60 GLN C C 60 177.222 177.222 177.086 0.136 25969 310 1 . 1 1 60 60 GLN CA C 60 56.005 56.005 56.262 -0.257 25969 311 1 . 1 1 60 60 GLN CB C 60 28.842 28.842 29.261 -0.419 25969 312 1 . 1 1 60 60 GLN H H 60 8.575 8.575 8.370 0.205 25969 313 1 . 1 1 61 61 ALA N N 61 128.305 128.305 125.837 2.468 25969 314 1 . 1 1 61 61 ALA HA H 61 3.399 3.399 3.966 -0.567 25969 315 1 . 1 1 61 61 ALA C C 61 178.704 178.704 179.355 -0.651 25969 316 1 . 1 1 61 61 ALA CA C 61 55.289 55.289 54.770 0.519 25969 317 1 . 1 1 61 61 ALA CB C 61 15.932 15.932 17.829 -1.897 25969 318 1 . 1 1 61 61 ALA H H 61 8.576 8.576 8.247 0.329 25969 319 1 . 1 1 62 62 LYS N N 62 114.337 114.337 118.125 -3.788 25969 320 1 . 1 1 62 62 LYS HA H 62 4.176 4.176 4.229 -0.053 25969 321 1 . 1 1 62 62 LYS C C 62 177.327 177.327 177.185 0.142 25969 322 1 . 1 1 62 62 LYS CA C 62 58.076 58.076 57.502 0.574 25969 323 1 . 1 1 62 62 LYS CB C 62 32.295 32.295 32.517 -0.222 25969 324 1 . 1 1 62 62 LYS H H 62 8.272 8.272 8.092 0.180 25969 325 1 . 1 1 63 63 GLY N N 63 107.059 107.059 108.713 -1.654 25969 326 1 . 1 1 63 63 GLY C C 63 173.759 173.759 173.149 0.610 25969 327 1 . 1 1 63 63 GLY CA C 63 44.785 44.785 44.414 0.371 25969 328 1 . 1 1 63 63 GLY H H 63 7.813 7.813 8.126 -0.313 25969 329 1 . 1 1 64 64 ILE N N 64 122.496 122.496 121.813 0.683 25969 330 1 . 1 1 64 64 ILE HA H 64 4.456 4.456 4.401 0.055 25969 331 1 . 1 1 64 64 ILE C C 64 176.033 176.033 176.232 -0.199 25969 332 1 . 1 1 64 64 ILE CA C 64 58.543 58.543 57.658 0.885 25969 333 1 . 1 1 64 64 ILE CB C 64 37.972 37.972 40.381 -2.409 25969 334 1 . 1 1 64 64 ILE H H 64 7.256 7.256 7.471 -0.215 25969 335 1 . 1 1 65 65 LEU N N 65 128.858 128.858 123.321 5.537 25969 336 1 . 1 1 65 65 LEU HA H 65 4.253 4.253 4.160 0.093 25969 337 1 . 1 1 65 65 LEU C C 65 178.203 178.203 176.015 2.188 25969 338 1 . 1 1 65 65 LEU CA C 65 55.538 55.538 56.309 -0.771 25969 339 1 . 1 1 65 65 LEU CB C 65 42.536 42.536 42.008 0.528 25969 340 1 . 1 1 65 65 LEU H H 65 8.417 8.417 8.504 -0.087 25969 341 1 . 1 1 66 66 GLU N N 66 119.109 119.109 122.939 -3.830 25969 342 1 . 1 1 66 66 GLU HA H 66 4.241 4.241 4.615 -0.374 25969 343 1 . 1 1 66 66 GLU C C 66 177.436 177.436 176.569 0.867 25969 344 1 . 1 1 66 66 GLU CA C 66 57.258 57.258 56.115 1.143 25969 345 1 . 1 1 66 66 GLU CB C 66 29.099 29.099 31.804 -2.705 25969 346 1 . 1 1 66 66 GLU H H 66 8.590 8.590 8.417 0.173 25969 347 1 . 1 1 67 67 GLY N N 67 108.490 108.490 111.766 -3.276 25969 348 1 . 1 1 67 67 GLY C C 67 173.551 173.551 173.358 0.193 25969 349 1 . 1 1 67 67 GLY CA C 67 46.121 46.121 45.754 0.367 25969 350 1 . 1 1 67 67 GLY H H 67 9.498 9.498 8.791 0.707 25969 351 1 . 1 1 68 68 LYS N N 68 117.773 117.773 118.915 -1.142 25969 352 1 . 1 1 68 68 LYS HA H 68 4.796 4.796 4.413 0.383 25969 353 1 . 1 1 68 68 LYS C C 68 175.637 175.637 174.439 1.198 25969 354 1 . 1 1 68 68 LYS CA C 68 54.269 54.269 54.518 -0.249 25969 355 1 . 1 1 68 68 LYS CB C 68 35.702 35.702 34.947 0.755 25969 356 1 . 1 1 68 68 LYS H H 68 7.604 7.604 7.591 0.013 25969 357 1 . 1 1 69 69 PHE N N 69 114.518 114.518 122.448 -7.930 25969 358 1 . 1 1 69 69 PHE HA H 69 4.472 4.472 4.544 -0.072 25969 359 1 . 1 1 69 69 PHE C C 69 172.591 172.591 174.220 -1.629 25969 360 1 . 1 1 69 69 PHE CA C 69 59.078 59.078 55.635 3.443 25969 361 1 . 1 1 69 69 PHE CB C 69 40.377 40.377 39.904 0.473 25969 362 1 . 1 1 69 69 PHE H H 69 8.439 8.439 8.495 -0.056 25969 363 1 . 1 1 70 70 THR N N 70 115.260 115.260 117.891 -2.631 25969 364 1 . 1 1 70 70 THR HA H 70 4.602 4.602 4.665 -0.063 25969 365 1 . 1 1 70 70 THR C C 70 172.508 172.508 172.609 -0.101 25969 366 1 . 1 1 70 70 THR CA C 70 62.484 62.484 61.535 0.949 25969 367 1 . 1 1 70 70 THR CB C 70 71.367 71.367 71.891 -0.524 25969 368 1 . 1 1 70 70 THR H H 70 8.474 8.474 8.421 0.053 25969 369 1 . 1 1 71 71 LEU N N 71 128.144 128.144 123.082 5.062 25969 370 1 . 1 1 71 71 LEU HA H 71 4.508 4.508 4.727 -0.219 25969 371 1 . 1 1 71 71 LEU CA C 71 53.935 53.935 53.518 0.417 25969 372 1 . 1 1 71 71 LEU CB C 71 46.855 46.855 45.867 0.988 25969 373 1 . 1 1 71 71 LEU H H 71 9.284 9.284 8.030 1.254 25969 374 1 . 1 1 72 72 LYS N N 72 122.603 122.603 121.462 1.141 25969 375 1 . 1 1 72 72 LYS HA H 72 5.388 5.388 5.009 0.379 25969 376 1 . 1 1 72 72 LYS C C 72 171.972 171.972 174.744 -2.772 25969 377 1 . 1 1 72 72 LYS CA C 72 54.402 54.402 54.191 0.211 25969 378 1 . 1 1 72 72 LYS CB C 72 38.592 38.592 35.599 2.993 25969 379 1 . 1 1 72 72 LYS H H 72 9.123 9.123 7.921 1.202 25969 380 1 . 1 1 73 73 ALA N N 73 128.927 128.927 128.566 0.361 25969 381 1 . 1 1 73 73 ALA HA H 73 5.851 5.851 5.471 0.380 25969 382 1 . 1 1 73 73 ALA C C 73 175.324 175.324 175.670 -0.346 25969 383 1 . 1 1 73 73 ALA CA C 73 49.126 49.126 49.766 -0.640 25969 384 1 . 1 1 73 73 ALA CB C 73 21.476 21.476 22.283 -0.807 25969 385 1 . 1 1 73 73 ALA H H 73 9.178 9.178 8.912 0.266 25969 386 1 . 1 1 74 74 VAL N N 74 123.425 123.425 120.769 2.656 25969 387 1 . 1 1 74 74 VAL HA H 74 4.139 4.139 4.050 0.089 25969 388 1 . 1 1 74 74 VAL C C 74 173.425 173.425 174.466 -1.041 25969 389 1 . 1 1 74 74 VAL CA C 74 60.850 60.850 60.206 0.644 25969 390 1 . 1 1 74 74 VAL CB C 74 35.768 35.768 36.088 -0.320 25969 391 1 . 1 1 74 74 VAL H H 74 8.727 8.727 8.788 -0.061 25969 392 1 . 1 1 75 75 ALA N N 75 130.762 130.762 128.100 2.662 25969 393 1 . 1 1 75 75 ALA HA H 75 3.658 3.658 3.413 0.245 25969 394 1 . 1 1 75 75 ALA C C 75 177.327 177.327 178.691 -1.364 25969 395 1 . 1 1 75 75 ALA CA C 75 53.200 53.200 52.037 1.163 25969 396 1 . 1 1 75 75 ALA CB C 75 19.606 19.606 18.809 0.797 25969 397 1 . 1 1 75 75 ALA H H 75 9.164 9.164 7.488 1.676 25969 398 1 . 1 1 76 76 LEU N N 76 119.175 119.175 123.493 -4.318 25969 399 1 . 1 1 76 76 LEU HA H 76 3.794 3.794 4.038 -0.244 25969 400 1 . 1 1 76 76 LEU C C 76 178.036 178.036 177.841 0.195 25969 401 1 . 1 1 76 76 LEU CA C 76 58.276 58.276 57.256 1.020 25969 402 1 . 1 1 76 76 LEU CB C 76 41.846 41.846 42.072 -0.226 25969 403 1 . 1 1 76 76 LEU H H 76 8.269 8.269 8.766 -0.497 25969 404 1 . 1 1 77 77 ASP N N 77 115.777 115.777 115.260 0.517 25969 405 1 . 1 1 77 77 ASP HA H 77 4.796 4.796 4.774 0.022 25969 406 1 . 1 1 77 77 ASP C C 77 176.012 176.012 176.834 -0.822 25969 407 1 . 1 1 77 77 ASP CA C 77 51.731 51.731 53.921 -2.190 25969 408 1 . 1 1 77 77 ASP CB C 77 40.176 40.176 40.147 0.029 25969 409 1 . 1 1 77 77 ASP H H 77 7.715 7.715 8.183 -0.468 25969 410 1 . 1 1 78 78 ARG N N 78 122.846 122.846 119.595 3.251 25969 411 1 . 1 1 78 78 ARG HA H 78 4.083 4.083 4.091 -0.008 25969 412 1 . 1 1 78 78 ARG C C 78 177.869 177.869 176.904 0.965 25969 413 1 . 1 1 78 78 ARG CA C 78 57.408 57.408 58.393 -0.985 25969 414 1 . 1 1 78 78 ARG CB C 78 29.624 29.624 29.207 0.417 25969 415 1 . 1 1 78 78 ARG H H 78 8.408 8.408 7.317 1.090 25969 416 1 . 1 1 79 79 GLU N N 79 118.091 118.091 118.795 -0.704 25969 417 1 . 1 1 79 79 GLU HA H 79 4.019 4.019 4.044 -0.025 25969 418 1 . 1 1 79 79 GLU C C 79 177.930 177.930 177.141 0.789 25969 419 1 . 1 1 79 79 GLU CA C 79 58.324 58.324 58.404 -0.080 25969 420 1 . 1 1 79 79 GLU CB C 79 29.134 29.134 29.242 -0.108 25969 421 1 . 1 1 79 79 GLU H H 79 7.888 7.888 8.297 -0.409 25969 422 1 . 1 1 80 80 ALA N N 80 120.528 120.528 118.897 1.631 25969 423 1 . 1 1 80 80 ALA HA H 80 4.102 4.102 4.439 -0.337 25969 424 1 . 1 1 80 80 ALA C C 80 178.142 178.142 176.571 1.571 25969 425 1 . 1 1 80 80 ALA CA C 80 53.067 53.067 52.815 0.252 25969 426 1 . 1 1 80 80 ALA CB C 80 19.272 19.272 20.655 -1.383 25969 427 1 . 1 1 80 80 ALA H H 80 7.175 7.175 8.057 -0.882 25969 428 1 . 1 1 81 81 GLU N N 81 115.377 115.377 117.734 -2.357 25969 429 1 . 1 1 81 81 GLU HA H 81 4.762 4.762 4.843 -0.081 25969 430 1 . 1 1 81 81 GLU C C 81 171.047 171.047 174.918 -3.871 25969 431 1 . 1 1 81 81 GLU CA C 81 52.198 52.198 52.657 -0.459 25969 432 1 . 1 1 81 81 GLU CB C 81 30.693 30.693 29.216 1.477 25969 433 1 . 1 1 81 81 GLU H H 81 7.457 7.457 7.525 -0.068 25969 434 1 . 1 1 82 82 PRO HA H 82 4.697 4.697 4.185 0.512 25969 435 1 . 1 1 82 82 PRO C C 82 177.636 177.636 176.832 0.805 25969 436 1 . 1 1 82 82 PRO CA C 82 62.591 62.591 63.720 -1.129 25969 437 1 . 1 1 82 82 PRO CB C 82 32.832 32.832 31.941 0.891 25969 438 1 . 1 1 83 83 ARG N N 83 118.488 118.488 117.898 0.590 25969 439 1 . 1 1 83 83 ARG HA H 83 4.574 4.574 4.492 0.082 25969 440 1 . 1 1 83 83 ARG C C 83 176.870 176.870 175.685 1.185 25969 441 1 . 1 1 83 83 ARG CA C 83 57.044 57.044 57.193 -0.149 25969 442 1 . 1 1 83 83 ARG CB C 83 31.176 31.176 30.720 0.457 25969 443 1 . 1 1 83 83 ARG H H 83 8.554 8.554 8.004 0.550 25969 444 1 . 1 1 84 84 VAL N N 84 111.376 111.376 119.416 -8.040 25969 445 1 . 1 1 84 84 VAL HA H 84 5.027 5.027 5.036 -0.009 25969 446 1 . 1 1 84 84 VAL C C 84 174.302 174.302 174.415 -0.113 25969 447 1 . 1 1 84 84 VAL CA C 84 58.543 58.543 59.869 -1.326 25969 448 1 . 1 1 84 84 VAL CB C 84 34.690 34.690 34.711 -0.021 25969 449 1 . 1 1 84 84 VAL H H 84 8.304 8.304 8.354 -0.050 25969 450 1 . 1 1 85 85 LEU N N 85 122.000 122.000 122.161 -0.161 25969 451 1 . 1 1 85 85 LEU HA H 85 5.328 5.328 5.170 0.158 25969 452 1 . 1 1 85 85 LEU C C 85 175.491 175.491 174.236 1.255 25969 453 1 . 1 1 85 85 LEU CA C 85 52.866 52.866 53.245 -0.379 25969 454 1 . 1 1 85 85 LEU CB C 85 47.122 47.122 46.847 0.275 25969 455 1 . 1 1 85 85 LEU H H 85 8.095 8.095 8.802 -0.707 25969 456 1 . 1 1 86 86 ARG N N 86 119.409 119.409 121.433 -2.024 25969 457 1 . 1 1 86 86 ARG HA H 86 5.470 5.470 5.320 0.150 25969 458 1 . 1 1 86 86 ARG C C 86 174.928 174.928 173.399 1.529 25969 459 1 . 1 1 86 86 ARG CA C 86 54.202 54.202 54.836 -0.634 25969 460 1 . 1 1 86 86 ARG CB C 86 35.635 35.635 34.290 1.345 25969 461 1 . 1 1 86 86 ARG H H 86 8.851 8.851 8.190 0.661 25969 462 1 . 1 1 87 87 LEU N N 87 122.550 122.550 123.987 -1.437 25969 463 1 . 1 1 87 87 LEU HA H 87 5.074 5.074 5.030 0.044 25969 464 1 . 1 1 87 87 LEU C C 87 174.406 174.406 174.298 0.108 25969 465 1 . 1 1 87 87 LEU CA C 87 55.004 55.004 53.907 1.097 25969 466 1 . 1 1 87 87 LEU CB C 87 48.124 48.124 46.320 1.804 25969 467 1 . 1 1 87 87 LEU H H 87 8.798 8.798 8.065 0.733 25969 468 1 . 1 1 88 88 ASN N N 88 125.347 125.347 123.520 1.827 25969 469 1 . 1 1 88 88 ASN HA H 88 5.423 5.423 5.389 0.034 25969 470 1 . 1 1 88 88 ASN C C 88 176.576 176.576 176.723 -0.147 25969 471 1 . 1 1 88 88 ASN CA C 88 50.863 50.863 51.453 -0.590 25969 472 1 . 1 1 88 88 ASN CB C 88 40.577 40.577 40.222 0.355 25969 473 1 . 1 1 88 88 ASN H H 88 7.376 7.376 8.212 -0.836 25969 474 1 . 1 1 89 89 GLU N N 89 114.953 114.953 119.006 -4.053 25969 475 1 . 1 1 89 89 GLU HA H 89 3.396 3.396 4.290 -0.894 25969 476 1 . 1 1 89 89 GLU C C 89 176.684 176.684 176.933 -0.249 25969 477 1 . 1 1 89 89 GLU CA C 89 58.540 58.540 58.961 -0.421 25969 478 1 . 1 1 89 89 GLU CB C 89 27.870 27.870 28.930 -1.060 25969 479 1 . 1 1 89 89 GLU H H 89 7.586 7.586 8.376 -0.790 25969 480 1 . 1 1 90 90 SER N N 90 117.110 117.110 113.564 3.546 25969 481 1 . 1 1 90 90 SER HA H 90 4.442 4.442 4.415 0.027 25969 482 1 . 1 1 90 90 SER C C 90 174.051 174.051 174.885 -0.834 25969 483 1 . 1 1 90 90 SER CA C 90 58.895 58.895 58.034 0.861 25969 484 1 . 1 1 90 90 SER CB C 90 63.886 63.886 63.451 0.435 25969 485 1 . 1 1 90 90 SER H H 90 7.385 7.385 7.830 -0.445 25969 486 1 . 1 1 91 91 LEU N N 91 116.559 116.559 118.905 -2.346 25969 487 1 . 1 1 91 91 LEU HA H 91 3.697 3.697 4.029 -0.332 25969 488 1 . 1 1 91 91 LEU C C 91 175.825 175.825 175.533 0.292 25969 489 1 . 1 1 91 91 LEU CA C 91 56.042 56.042 56.009 0.032 25969 490 1 . 1 1 91 91 LEU CB C 91 37.705 37.705 39.122 -1.417 25969 491 1 . 1 1 91 91 LEU H H 91 8.704 8.704 7.807 0.897 25969 492 1 . 1 1 92 92 THR N N 92 115.529 115.529 115.089 0.440 25969 493 1 . 1 1 92 92 THR HA H 92 4.254 4.254 4.405 -0.151 25969 494 1 . 1 1 92 92 THR C C 92 173.425 173.425 173.131 0.295 25969 495 1 . 1 1 92 92 THR CA C 92 62.617 62.617 62.815 -0.198 25969 496 1 . 1 1 92 92 THR CB C 92 69.096 69.096 69.506 -0.410 25969 497 1 . 1 1 92 92 THR H H 92 7.704 7.704 8.007 -0.303 25969 498 1 . 1 1 93 93 ALA N N 93 130.459 130.459 131.209 -0.750 25969 499 1 . 1 1 93 93 ALA HA H 93 5.687 5.687 5.386 0.301 25969 500 1 . 1 1 93 93 ALA C C 93 177.201 177.201 175.429 1.772 25969 501 1 . 1 1 93 93 ALA CA C 93 50.262 50.262 49.523 0.739 25969 502 1 . 1 1 93 93 ALA CB C 93 21.810 21.810 22.149 -0.339 25969 503 1 . 1 1 93 93 ALA H H 93 9.002 9.002 8.460 0.542 25969 504 1 . 1 1 94 94 VAL N N 94 117.872 117.872 120.647 -2.775 25969 505 1 . 1 1 94 94 VAL HA H 94 4.904 4.904 4.812 0.091 25969 506 1 . 1 1 94 94 VAL C C 94 173.613 173.613 173.699 -0.086 25969 507 1 . 1 1 94 94 VAL CA C 94 59.679 59.679 60.853 -1.174 25969 508 1 . 1 1 94 94 VAL CB C 94 36.036 36.036 36.149 -0.113 25969 509 1 . 1 1 94 94 VAL H H 94 8.833 8.833 8.243 0.590 25969 510 1 . 1 1 95 95 VAL N N 95 121.842 121.842 127.946 -6.104 25969 511 1 . 1 1 95 95 VAL HA H 95 5.253 5.253 4.849 0.404 25969 512 1 . 1 1 95 95 VAL C C 95 174.552 174.552 173.718 0.834 25969 513 1 . 1 1 95 95 VAL CA C 95 57.942 57.942 58.805 -0.863 25969 514 1 . 1 1 95 95 VAL CB C 95 34.900 34.900 34.157 0.743 25969 515 1 . 1 1 95 95 VAL H H 95 9.286 9.286 8.736 0.550 25969 516 1 . 1 1 96 96 CYS N N 96 126.839 126.839 124.289 2.550 25969 517 1 . 1 1 96 96 CYS HA H 96 5.423 5.423 5.006 0.417 25969 518 1 . 1 1 96 96 CYS C C 96 174.135 174.135 175.540 -1.405 25969 519 1 . 1 1 96 96 CYS CA C 96 54.269 54.269 57.968 -3.699 25969 520 1 . 1 1 96 96 CYS CB C 96 46.455 46.455 30.822 15.633 25969 521 1 . 1 1 96 96 CYS H H 96 9.452 9.452 8.971 0.481 25969 522 1 . 1 1 97 97 GLY N N 97 109.718 109.718 108.497 1.221 25969 523 1 . 1 1 97 97 GLY C C 97 172.639 172.639 173.057 -0.418 25969 524 1 . 1 1 97 97 GLY CA C 97 46.388 46.388 45.249 1.139 25969 525 1 . 1 1 97 97 GLY H H 97 8.355 8.355 8.701 -0.346 25969 526 1 . 1 1 98 98 LYS N N 98 114.844 114.844 119.650 -4.806 25969 527 1 . 1 1 98 98 LYS HA H 98 4.744 4.744 4.603 0.141 25969 528 1 . 1 1 98 98 LYS C C 98 174.051 174.051 174.388 -0.337 25969 529 1 . 1 1 98 98 LYS CA C 98 54.336 54.336 55.192 -0.856 25969 530 1 . 1 1 98 98 LYS CB C 98 35.528 35.528 35.603 -0.075 25969 531 1 . 1 1 98 98 LYS H H 98 7.632 7.632 7.816 -0.184 25969 532 1 . 1 1 99 99 MET N N 99 124.801 124.801 127.178 -2.377 25969 533 1 . 1 1 99 99 MET HA H 99 5.017 5.017 4.734 0.283 25969 534 1 . 1 1 99 99 MET C C 99 176.337 176.337 174.753 1.584 25969 535 1 . 1 1 99 99 MET CA C 99 54.803 54.803 55.031 -0.228 25969 536 1 . 1 1 99 99 MET CB C 99 34.646 34.646 33.877 0.769 25969 537 1 . 1 1 99 99 MET H H 99 8.759 8.759 8.783 -0.024 25969 538 1 . 1 1 100 100 LYS N N 100 126.252 126.252 125.572 0.680 25969 539 1 . 1 1 100 100 LYS HA H 100 4.376 4.376 4.357 0.019 25969 540 1 . 1 1 100 100 LYS C C 100 177.222 177.222 177.416 -0.194 25969 541 1 . 1 1 100 100 LYS CA C 100 56.455 56.455 57.554 -1.099 25969 542 1 . 1 1 100 100 LYS CB C 100 32.429 32.429 33.061 -0.632 25969 543 1 . 1 1 100 100 LYS H H 100 8.602 8.602 8.122 0.480 25969 544 1 . 1 1 101 101 GLY N N 101 108.944 108.944 106.361 2.583 25969 545 1 . 1 1 101 101 GLY C C 101 173.613 173.613 174.205 -0.592 25969 546 1 . 1 1 101 101 GLY CA C 101 44.585 44.585 44.419 0.166 25969 547 1 . 1 1 101 101 GLY H H 101 8.385 8.385 7.662 0.723 25969 548 1 . 1 1 102 102 LYS N N 102 118.594 118.594 119.723 -1.129 25969 549 1 . 1 1 102 102 LYS HA H 102 4.414 4.414 4.042 0.372 25969 550 1 . 1 1 102 102 LYS C C 102 176.867 176.867 176.147 0.720 25969 551 1 . 1 1 102 102 LYS CA C 102 55.872 55.872 57.881 -2.009 25969 552 1 . 1 1 102 102 LYS CB C 102 33.023 33.023 31.667 1.356 25969 553 1 . 1 1 102 102 LYS H H 102 8.436 8.436 8.206 0.230 25969 554 1 . 1 1 103 103 GLY N N 103 110.581 110.581 108.250 2.331 25969 555 1 . 1 1 103 103 GLY C C 103 171.631 171.631 172.586 -0.955 25969 556 1 . 1 1 103 103 GLY CA C 103 45.920 45.920 44.399 1.521 25969 557 1 . 1 1 103 103 GLY H H 103 8.443 8.443 8.054 0.389 25969 558 1 . 1 1 104 104 SER N N 104 113.710 113.710 115.979 -2.269 25969 559 1 . 1 1 104 104 SER HA H 104 4.697 4.697 4.760 -0.063 25969 560 1 . 1 1 104 104 SER C C 104 174.680 174.680 174.108 0.571 25969 561 1 . 1 1 104 104 SER CA C 104 57.331 57.331 56.846 0.485 25969 562 1 . 1 1 104 104 SER CB C 104 66.178 66.178 66.279 -0.101 25969 563 1 . 1 1 104 104 SER H H 104 8.535 8.535 8.064 0.471 25969 564 1 . 1 1 105 105 CYS N N 105 118.835 118.835 121.719 -2.884 25969 565 1 . 1 1 105 105 CYS HA H 105 4.612 4.612 4.373 0.239 25969 566 1 . 1 1 105 105 CYS C C 105 176.502 176.502 175.879 0.623 25969 567 1 . 1 1 105 105 CYS CA C 105 57.136 57.136 60.213 -3.077 25969 568 1 . 1 1 105 105 CYS CB C 105 40.412 40.412 27.160 13.252 25969 569 1 . 1 1 105 105 CYS H H 105 10.009 10.009 8.939 1.070 25969 570 1 . 1 1 106 106 THR N N 106 107.957 107.957 113.211 -5.254 25969 571 1 . 1 1 106 106 THR HA H 106 4.574 4.574 3.914 0.660 25969 572 1 . 1 1 106 106 THR C C 106 175.178 175.178 173.748 1.430 25969 573 1 . 1 1 106 106 THR CA C 106 61.014 61.014 64.166 -3.152 25969 574 1 . 1 1 106 106 THR CB C 106 68.495 68.495 67.870 0.625 25969 575 1 . 1 1 106 106 THR H H 106 8.030 8.030 8.733 -0.703 25969 576 1 . 1 1 107 107 ASP N N 107 120.763 120.763 119.055 1.708 25969 577 1 . 1 1 107 107 ASP HA H 107 4.320 4.320 4.731 -0.411 25969 578 1 . 1 1 107 107 ASP C C 107 177.264 177.264 175.901 1.363 25969 579 1 . 1 1 107 107 ASP CA C 107 55.004 55.004 54.692 0.312 25969 580 1 . 1 1 107 107 ASP CB C 107 40.844 40.844 43.750 -2.906 25969 581 1 . 1 1 107 107 ASP H H 107 7.531 7.531 7.795 -0.264 25969 582 1 . 1 1 108 108 GLY N N 108 108.602 108.602 109.631 -1.029 25969 583 1 . 1 1 108 108 GLY C C 108 174.698 174.698 173.386 1.312 25969 584 1 . 1 1 108 108 GLY CA C 108 45.653 45.653 45.102 0.551 25969 585 1 . 1 1 108 108 GLY H H 108 8.591 8.591 7.886 0.705 25969 586 1 . 1 1 109 109 GLU N N 109 120.191 120.191 120.242 -0.051 25969 587 1 . 1 1 109 109 GLU HA H 109 4.452 4.452 4.239 0.213 25969 588 1 . 1 1 109 109 GLU C C 109 176.472 176.472 175.776 0.696 25969 589 1 . 1 1 109 109 GLU CA C 109 55.678 55.678 56.768 -1.090 25969 590 1 . 1 1 109 109 GLU CB C 109 30.884 30.884 30.324 0.560 25969 591 1 . 1 1 109 109 GLU H H 109 8.292 8.292 8.027 0.265 25969 592 1 . 1 1 110 110 GLU N N 110 116.857 116.857 120.279 -3.422 25969 593 1 . 1 1 110 110 GLU HA H 110 4.216 4.216 4.282 -0.066 25969 594 1 . 1 1 110 110 GLU C C 110 176.381 176.381 174.793 1.588 25969 595 1 . 1 1 110 110 GLU CA C 110 57.136 57.136 56.770 0.366 25969 596 1 . 1 1 110 110 GLU CB C 110 31.273 31.273 31.115 0.158 25969 597 1 . 1 1 110 110 GLU H H 110 9.028 9.028 8.637 0.391 25969 598 1 . 1 1 111 111 ILE N N 111 109.164 109.164 112.927 -3.763 25969 599 1 . 1 1 111 111 ILE HA H 111 4.835 4.835 4.907 -0.072 25969 600 1 . 1 1 111 111 ILE C C 111 176.868 176.868 174.167 2.701 25969 601 1 . 1 1 111 111 ILE CA C 111 59.142 59.142 59.353 -0.211 25969 602 1 . 1 1 111 111 ILE CB C 111 43.115 43.115 41.651 1.464 25969 603 1 . 1 1 111 111 ILE H H 111 7.022 7.022 7.259 -0.237 25969 604 1 . 1 1 112 112 PHE N N 112 118.509 118.509 123.035 -4.526 25969 605 1 . 1 1 112 112 PHE HA H 112 5.112 5.112 4.898 0.214 25969 606 1 . 1 1 112 112 PHE C C 112 174.171 174.171 173.545 0.626 25969 607 1 . 1 1 112 112 PHE CA C 112 57.791 57.791 55.698 2.093 25969 608 1 . 1 1 112 112 PHE CB C 112 42.859 42.859 39.515 3.344 25969 609 1 . 1 1 112 112 PHE H H 112 8.605 8.605 8.043 0.562 25969 610 1 . 1 1 113 113 ARG N N 113 119.908 119.908 123.140 -3.232 25969 611 1 . 1 1 113 113 ARG HA H 113 4.772 4.772 4.451 0.321 25969 612 1 . 1 1 113 113 ARG C C 113 176.930 176.930 175.007 1.923 25969 613 1 . 1 1 113 113 ARG CA C 113 55.404 55.404 54.613 0.791 25969 614 1 . 1 1 113 113 ARG CB C 113 33.431 33.431 32.431 1.000 25969 615 1 . 1 1 113 113 ARG H H 113 9.352 9.352 7.550 1.802 25969 616 1 . 1 1 114 114 GLY N N 114 109.477 109.477 112.275 -2.798 25969 617 1 . 1 1 114 114 GLY C C 114 173.738 173.738 173.127 0.611 25969 618 1 . 1 1 114 114 GLY CA C 114 44.451 44.451 45.291 -0.840 25969 619 1 . 1 1 114 114 GLY H H 114 8.467 8.467 8.535 -0.068 25969 620 1 . 1 1 115 115 ASN N N 115 119.193 119.193 121.134 -1.941 25969 621 1 . 1 1 115 115 ASN HA H 115 4.734 4.734 4.908 -0.174 25969 622 1 . 1 1 115 115 ASN C C 115 173.530 173.530 173.377 0.153 25969 623 1 . 1 1 115 115 ASN CA C 115 52.733 52.733 52.705 0.028 25969 624 1 . 1 1 115 115 ASN CB C 115 39.642 39.642 41.107 -1.465 25969 625 1 . 1 1 115 115 ASN H H 115 8.523 8.523 8.477 0.046 25969 626 1 . 1 1 116 116 ASP N N 116 120.602 120.602 120.509 0.093 25969 627 1 . 1 1 116 116 ASP HA H 116 5.083 5.083 5.137 -0.054 25969 628 1 . 1 1 116 116 ASP C C 116 174.030 174.030 174.531 -0.501 25969 629 1 . 1 1 116 116 ASP CA C 116 54.269 54.269 52.627 1.642 25969 630 1 . 1 1 116 116 ASP CB C 116 43.983 43.983 43.287 0.696 25969 631 1 . 1 1 116 116 ASP H H 116 8.098 8.098 8.252 -0.154 25969 632 1 . 1 1 117 117 ALA N N 117 123.146 123.146 121.446 1.700 25969 633 1 . 1 1 117 117 ALA HA H 117 4.716 4.716 4.547 0.169 25969 634 1 . 1 1 117 117 ALA C C 117 175.345 175.345 176.146 -0.801 25969 635 1 . 1 1 117 117 ALA CA C 117 50.462 50.462 50.629 -0.167 25969 636 1 . 1 1 117 117 ALA CB C 117 23.145 23.145 21.546 1.599 25969 637 1 . 1 1 117 117 ALA H H 117 8.979 8.979 8.363 0.616 25969 638 1 . 1 1 118 118 GLU N N 118 115.917 115.917 115.985 -0.068 25969 639 1 . 1 1 118 118 GLU HA H 118 3.895 3.895 3.985 -0.090 25969 640 1 . 1 1 118 118 GLU C C 118 177.181 177.181 174.763 2.418 25969 641 1 . 1 1 118 118 GLU CA C 118 56.358 56.358 57.358 -1.000 25969 642 1 . 1 1 118 118 GLU CB C 118 26.752 26.752 27.414 -0.662 25969 643 1 . 1 1 118 118 GLU H H 118 8.829 8.829 8.760 0.069 25969 644 1 . 1 1 119 119 CYS N N 119 119.476 119.476 116.778 2.698 25969 645 1 . 1 1 119 119 CYS HA H 119 5.470 5.470 5.373 0.097 25969 646 1 . 1 1 119 119 CYS C C 119 174.738 174.738 174.574 0.164 25969 647 1 . 1 1 119 119 CYS CA C 119 56.164 56.164 57.183 -1.019 25969 648 1 . 1 1 119 119 CYS CB C 119 44.458 44.458 31.324 13.134 25969 649 1 . 1 1 119 119 CYS H H 119 8.671 8.671 8.145 0.527 25969 650 1 . 1 1 120 120 ARG N N 120 123.444 123.444 121.697 1.747 25969 651 1 . 1 1 120 120 ARG HA H 120 4.925 4.925 5.009 -0.084 25969 652 1 . 1 1 120 120 ARG C C 120 172.028 172.028 173.159 -1.131 25969 653 1 . 1 1 120 120 ARG CA C 120 53.668 53.668 53.044 0.624 25969 654 1 . 1 1 120 120 ARG CB C 120 31.561 31.561 30.662 0.899 25969 655 1 . 1 1 120 120 ARG H H 120 9.238 9.238 9.183 0.055 25969 656 1 . 1 1 121 121 PRO HA H 121 4.546 4.546 4.690 -0.144 25969 657 1 . 1 1 121 121 PRO C C 121 176.138 176.138 175.495 0.643 25969 658 1 . 1 1 121 121 PRO CA C 121 64.020 64.020 63.144 0.876 25969 659 1 . 1 1 121 121 PRO CB C 121 32.162 32.162 31.973 0.189 25969 660 1 . 1 1 122 122 PHE N N 122 124.392 124.392 125.442 -1.050 25969 661 1 . 1 1 122 122 PHE HA H 122 4.706 4.706 4.787 -0.081 25969 662 1 . 1 1 122 122 PHE C C 122 175.032 175.032 174.288 0.744 25969 663 1 . 1 1 122 122 PHE CA C 122 57.408 57.408 56.212 1.196 25969 664 1 . 1 1 122 122 PHE CB C 122 40.377 40.377 42.836 -2.459 25969 665 1 . 1 1 122 122 PHE H H 122 8.335 8.335 8.802 -0.467 25969 666 1 . 1 1 123 123 THR N N 123 118.912 118.912 114.266 4.646 25969 667 1 . 1 1 123 123 THR HA H 123 4.140 4.140 4.584 -0.444 25969 668 1 . 1 1 123 123 THR C C 123 173.071 173.071 173.902 -0.831 25969 669 1 . 1 1 123 123 THR CA C 123 60.948 60.948 59.890 1.058 25969 670 1 . 1 1 123 123 THR CB C 123 69.430 69.430 69.987 -0.557 25969 671 1 . 1 1 123 123 THR H H 123 8.146 8.146 7.902 0.244 25969 stop_ save_