data_18916 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18916 _Entry.PDB_ID 2M2I 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 18916 _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 4 4 GLN HA H 4 3.782 3.782 4.138 -0.356 18916 2 1 1 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.911 0.966 18916 3 1 1 . 1 1 4 4 GLN CB C 4 29.441 29.441 27.833 1.608 18916 4 1 1 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.626 -0.072 18916 5 1 1 . 1 1 7 7 LYS C C 7 178.298 178.298 177.386 0.912 18916 6 1 1 . 1 1 7 7 LYS CA C 7 54.750 54.750 55.573 -0.823 18916 7 1 1 . 1 1 7 7 LYS CB C 7 32.593 32.593 31.318 1.275 18916 8 1 1 . 1 1 8 8 ILE N N 8 119.676 119.676 121.161 -1.485 18916 9 1 1 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.632 -0.048 18916 10 1 1 . 1 1 8 8 ILE C C 8 177.164 177.164 175.986 1.178 18916 11 1 1 . 1 1 8 8 ILE CA C 8 65.912 65.912 63.812 2.100 18916 12 1 1 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.554 1.420 18916 13 1 1 . 1 1 8 8 ILE H H 8 7.633 7.633 7.679 -0.046 18916 14 1 1 . 1 1 9 9 PHE N N 9 113.639 113.639 112.888 0.751 18916 15 1 1 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.773 0.139 18916 16 1 1 . 1 1 9 9 PHE C C 9 174.520 174.520 176.380 -1.860 18916 17 1 1 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.520 0.519 18916 18 1 1 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.350 -0.636 18916 19 1 1 . 1 1 9 9 PHE H H 9 8.403 8.403 7.493 0.910 18916 20 1 1 . 1 1 10 10 LYS N N 10 120.104 120.104 123.716 -3.612 18916 21 1 1 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.260 -0.117 18916 22 1 1 . 1 1 10 10 LYS C C 10 177.600 177.600 177.596 0.004 18916 23 1 1 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.899 -0.391 18916 24 1 1 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.511 -0.072 18916 25 1 1 . 1 1 10 10 LYS H H 10 7.328 7.328 7.823 -0.495 18916 26 1 1 . 1 1 11 11 ASN N N 11 116.960 116.960 112.897 4.063 18916 27 1 1 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.792 -0.247 18916 28 1 1 . 1 1 11 11 ASN C C 11 175.566 175.566 174.501 1.065 18916 29 1 1 . 1 1 11 11 ASN CA C 11 55.479 55.479 52.206 3.273 18916 30 1 1 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.186 -0.658 18916 31 1 1 . 1 1 11 11 ASN H H 11 8.984 8.984 8.676 0.308 18916 32 1 1 . 1 1 12 12 CYS N N 12 118.344 118.344 121.003 -2.659 18916 33 1 1 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.774 0.351 18916 34 1 1 . 1 1 12 12 CYS C C 12 175.014 175.014 173.571 1.443 18916 35 1 1 . 1 1 12 12 CYS CA C 12 59.549 59.549 57.691 1.858 18916 36 1 1 . 1 1 12 12 CYS CB C 12 29.319 29.319 29.056 0.263 18916 37 1 1 . 1 1 12 12 CYS H H 12 8.460 8.460 7.940 0.520 18916 38 1 1 . 1 1 13 13 VAL N N 13 128.765 128.765 126.356 2.409 18916 39 1 1 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.339 0.050 18916 40 1 1 . 1 1 13 13 VAL C C 13 174.912 174.912 174.787 0.125 18916 41 1 1 . 1 1 13 13 VAL CA C 13 62.294 62.294 62.300 -0.006 18916 42 1 1 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.519 0.949 18916 43 1 1 . 1 1 13 13 VAL H H 13 9.878 9.878 8.956 0.922 18916 44 1 1 . 1 1 14 14 ILE N N 14 128.270 128.270 127.420 0.850 18916 45 1 1 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.074 0.126 18916 46 1 1 . 1 1 14 14 ILE C C 14 174.098 174.098 175.263 -1.165 18916 47 1 1 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.690 0.615 18916 48 1 1 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.238 1.306 18916 49 1 1 . 1 1 14 14 ILE H H 14 8.841 8.841 8.495 0.346 18916 50 1 1 . 1 1 15 15 TYR N N 15 125.475 125.475 128.843 -3.368 18916 51 1 1 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.452 -0.343 18916 52 1 1 . 1 1 15 15 TYR C C 15 173.023 173.023 173.837 -0.814 18916 53 1 1 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.405 0.481 18916 54 1 1 . 1 1 15 15 TYR CB C 15 42.813 42.813 42.174 0.639 18916 55 1 1 . 1 1 15 15 TYR H H 15 8.023 8.023 9.101 -1.078 18916 56 1 1 . 1 1 16 16 ILE N N 16 128.262 128.262 124.649 3.613 18916 57 1 1 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.291 0.076 18916 58 1 1 . 1 1 16 16 ILE C C 16 173.895 173.895 173.308 0.587 18916 59 1 1 . 1 1 16 16 ILE CA C 16 59.688 59.688 59.687 0.001 18916 60 1 1 . 1 1 16 16 ILE CB C 16 36.912 36.912 40.199 -3.287 18916 61 1 1 . 1 1 16 16 ILE H H 16 8.708 8.708 8.439 0.269 18916 62 1 1 . 1 1 17 17 ASN N N 17 126.842 126.842 123.791 3.051 18916 63 1 1 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.720 -0.059 18916 64 1 1 . 1 1 17 17 ASN C C 17 174.171 174.171 174.565 -0.394 18916 65 1 1 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.632 1.256 18916 66 1 1 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.629 1.315 18916 67 1 1 . 1 1 17 17 ASN H H 17 8.974 8.974 8.414 0.560 18916 68 1 1 . 1 1 18 18 GLY N N 18 113.508 113.508 112.277 1.231 18916 69 1 1 . 1 1 18 18 GLY C C 18 172.529 172.529 172.709 -0.180 18916 70 1 1 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.685 0.500 18916 71 1 1 . 1 1 18 18 GLY H H 18 8.727 8.727 8.294 0.433 18916 72 1 1 . 1 1 19 19 TYR N N 19 121.021 121.021 122.104 -1.083 18916 73 1 1 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.652 -0.202 18916 74 1 1 . 1 1 19 19 TYR C C 19 176.147 176.147 175.373 0.774 18916 75 1 1 . 1 1 19 19 TYR CA C 19 58.982 58.982 56.699 2.283 18916 76 1 1 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.488 0.213 18916 77 1 1 . 1 1 19 19 TYR H H 19 8.651 8.651 8.310 0.341 18916 78 1 1 . 1 1 20 20 THR N N 20 117.677 117.677 115.708 1.969 18916 79 1 1 . 1 1 20 20 THR HA H 20 4.279 4.279 4.624 -0.345 18916 80 1 1 . 1 1 20 20 THR C C 20 171.803 171.803 173.677 -1.874 18916 81 1 1 . 1 1 20 20 THR CA C 20 59.986 59.986 60.848 -0.862 18916 82 1 1 . 1 1 20 20 THR CB C 20 73.362 73.362 70.624 2.738 18916 83 1 1 . 1 1 20 20 THR H H 20 7.242 7.242 8.415 -1.173 18916 84 1 1 . 1 1 21 21 LYS N N 21 120.592 120.592 124.245 -3.653 18916 85 1 1 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.690 -0.643 18916 86 1 1 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.441 1.589 18916 87 1 1 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.271 2.555 18916 88 1 1 . 1 1 21 21 LYS H H 21 7.718 7.718 8.513 -0.795 18916 89 1 1 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.472 0.118 18916 90 1 1 . 1 1 22 22 PRO C C 22 175.043 175.043 176.871 -1.828 18916 91 1 1 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.291 0.657 18916 92 1 1 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.632 1.908 18916 93 1 1 . 1 1 23 23 GLY N N 23 105.352 105.352 106.433 -1.081 18916 94 1 1 . 1 1 23 23 GLY C C 23 172.762 172.762 175.829 -3.067 18916 95 1 1 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.640 0.240 18916 96 1 1 . 1 1 23 23 GLY H H 23 8.356 8.356 8.530 -0.174 18916 97 1 1 . 1 1 24 24 ARG N N 24 119.274 119.274 122.490 -3.216 18916 98 1 1 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.630 -0.355 18916 99 1 1 . 1 1 24 24 ARG C C 24 176.263 176.263 178.112 -1.849 18916 100 1 1 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.677 1.243 18916 101 1 1 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.505 0.826 18916 102 1 1 . 1 1 24 24 ARG H H 24 7.813 7.813 8.658 -0.845 18916 103 1 1 . 1 1 25 25 LEU N N 25 116.403 116.403 115.855 0.548 18916 104 1 1 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.157 -0.467 18916 105 1 1 . 1 1 25 25 LEU C C 25 179.562 179.562 178.727 0.835 18916 106 1 1 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.360 1.031 18916 107 1 1 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.623 0.221 18916 108 1 1 . 1 1 25 25 LEU H H 25 8.156 8.156 7.954 0.202 18916 109 1 1 . 1 1 26 26 GLN N N 26 118.294 118.294 119.101 -0.807 18916 110 1 1 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.269 -0.303 18916 111 1 1 . 1 1 26 26 GLN C C 26 179.358 179.358 178.561 0.797 18916 112 1 1 . 1 1 26 26 GLN CA C 26 59.322 59.322 57.873 1.449 18916 113 1 1 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.216 -0.160 18916 114 1 1 . 1 1 26 26 GLN H H 26 7.423 7.423 7.441 -0.018 18916 115 1 1 . 1 1 27 27 LEU N N 27 119.419 119.419 119.433 -0.014 18916 116 1 1 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.682 0.246 18916 117 1 1 . 1 1 27 27 LEU C C 27 178.777 178.777 178.954 -0.177 18916 118 1 1 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.280 -0.256 18916 119 1 1 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.556 0.334 18916 120 1 1 . 1 1 27 27 LEU H H 27 8.127 8.127 8.041 0.086 18916 121 1 1 . 1 1 28 28 HIS N N 28 118.332 118.332 117.125 1.207 18916 122 1 1 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.920 -0.178 18916 123 1 1 . 1 1 28 28 HIS C C 28 177.121 177.121 177.636 -0.515 18916 124 1 1 . 1 1 28 28 HIS CA C 28 57.798 57.798 58.995 -1.196 18916 125 1 1 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.342 0.099 18916 126 1 1 . 1 1 28 28 HIS H H 28 8.727 8.727 7.697 1.030 18916 127 1 1 . 1 1 29 29 GLU N N 29 116.699 116.699 120.150 -3.451 18916 128 1 1 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.956 0.022 18916 129 1 1 . 1 1 29 29 GLU C C 29 178.951 178.951 178.971 -0.020 18916 130 1 1 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.226 0.050 18916 131 1 1 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.547 0.137 18916 132 1 1 . 1 1 29 29 GLU H H 29 7.518 7.518 7.863 -0.345 18916 133 1 1 . 1 1 30 30 MET N N 30 118.090 118.090 117.394 0.696 18916 134 1 1 . 1 1 30 30 MET HA H 30 4.055 4.055 4.190 -0.135 18916 135 1 1 . 1 1 30 30 MET C C 30 177.992 177.992 178.849 -0.857 18916 136 1 1 . 1 1 30 30 MET CA C 30 60.040 60.040 58.112 1.928 18916 137 1 1 . 1 1 30 30 MET CB C 30 34.522 34.522 32.032 2.490 18916 138 1 1 . 1 1 30 30 MET H H 30 7.766 7.766 7.918 -0.152 18916 139 1 1 . 1 1 31 31 ILE N N 31 118.458 118.458 119.650 -1.192 18916 140 1 1 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.105 0.147 18916 141 1 1 . 1 1 31 31 ILE C C 31 178.007 178.007 178.211 -0.204 18916 142 1 1 . 1 1 31 31 ILE CA C 31 64.891 64.891 64.968 -0.077 18916 143 1 1 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.465 0.716 18916 144 1 1 . 1 1 31 31 ILE H H 31 8.337 8.337 7.564 0.773 18916 145 1 1 . 1 1 32 32 VAL N N 32 117.878 117.878 120.795 -2.917 18916 146 1 1 . 1 1 32 32 VAL HA H 32 4.003 4.003 3.982 0.021 18916 147 1 1 . 1 1 32 32 VAL C C 32 180.884 180.884 178.931 1.953 18916 148 1 1 . 1 1 32 32 VAL CA C 32 65.376 65.376 66.162 -0.786 18916 149 1 1 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.880 0.117 18916 150 1 1 . 1 1 32 32 VAL H H 32 7.888 7.888 7.843 0.045 18916 151 1 1 . 1 1 33 33 LEU N N 33 123.609 123.609 118.829 4.780 18916 152 1 1 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.078 -0.005 18916 153 1 1 . 1 1 33 33 LEU C C 33 177.498 177.498 178.027 -0.529 18916 154 1 1 . 1 1 33 33 LEU CA C 33 57.662 57.662 57.537 0.125 18916 155 1 1 . 1 1 33 33 LEU CB C 33 42.290 42.290 41.047 1.243 18916 156 1 1 . 1 1 33 33 LEU H H 33 8.281 8.281 8.005 0.276 18916 157 1 1 . 1 1 34 34 HIS N N 34 113.272 113.272 115.970 -2.698 18916 158 1 1 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.820 -0.105 18916 159 1 1 . 1 1 34 34 HIS C C 34 175.464 175.464 176.083 -0.619 18916 160 1 1 . 1 1 34 34 HIS CA C 34 56.396 56.396 56.087 0.309 18916 161 1 1 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.944 -0.176 18916 162 1 1 . 1 1 34 34 HIS H H 34 7.319 7.319 7.492 -0.173 18916 163 1 1 . 1 1 35 35 GLY N N 35 104.307 104.307 107.772 -3.465 18916 164 1 1 . 1 1 35 35 GLY C C 35 174.985 174.985 174.503 0.482 18916 165 1 1 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.527 1.787 18916 166 1 1 . 1 1 35 35 GLY H H 35 7.392 7.392 8.147 -0.755 18916 167 1 1 . 1 1 36 36 GLY N N 36 108.630 108.630 107.708 0.922 18916 168 1 1 . 1 1 36 36 GLY C C 36 171.701 171.701 172.888 -1.187 18916 169 1 1 . 1 1 36 36 GLY CA C 36 44.392 44.392 43.797 0.595 18916 170 1 1 . 1 1 36 36 GLY H H 36 8.763 8.763 8.087 0.676 18916 171 1 1 . 1 1 37 37 LYS N N 37 115.119 115.119 118.989 -3.870 18916 172 1 1 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.870 -0.256 18916 173 1 1 . 1 1 37 37 LYS C C 37 174.302 174.302 174.991 -0.689 18916 174 1 1 . 1 1 37 37 LYS CA C 37 54.319 54.319 53.698 0.621 18916 175 1 1 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.808 0.442 18916 176 1 1 . 1 1 37 37 LYS H H 37 7.406 7.406 8.045 -0.639 18916 177 1 1 . 1 1 38 38 PHE N N 38 117.196 117.196 119.135 -1.939 18916 178 1 1 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.413 0.475 18916 179 1 1 . 1 1 38 38 PHE C C 38 173.604 173.604 173.421 0.183 18916 180 1 1 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.627 -0.775 18916 181 1 1 . 1 1 38 38 PHE CB C 38 43.379 43.379 42.268 1.111 18916 182 1 1 . 1 1 38 38 PHE H H 38 7.844 7.844 7.872 -0.028 18916 183 1 1 . 1 1 39 39 LEU N N 39 119.576 119.576 121.386 -1.810 18916 184 1 1 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.842 -0.238 18916 185 1 1 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.455 -0.794 18916 186 1 1 . 1 1 39 39 LEU CB C 39 45.901 45.901 46.385 -0.483 18916 187 1 1 . 1 1 39 39 LEU H H 39 8.223 8.223 8.533 -0.310 18916 188 1 1 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.652 -0.013 18916 189 1 1 . 1 1 40 40 HIS C C 40 174.694 174.694 174.168 0.526 18916 190 1 1 . 1 1 40 40 HIS CA C 40 58.670 58.670 58.219 0.451 18916 191 1 1 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.523 1.367 18916 192 1 1 . 1 1 41 41 TYR N N 41 115.005 115.005 116.519 -1.514 18916 193 1 1 . 1 1 41 41 TYR HA H 41 4.660 4.660 3.904 0.756 18916 194 1 1 . 1 1 41 41 TYR C C 41 173.023 173.023 172.733 0.290 18916 195 1 1 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.061 -1.163 18916 196 1 1 . 1 1 41 41 TYR CB C 41 40.313 40.313 40.376 -0.063 18916 197 1 1 . 1 1 41 41 TYR H H 41 7.363 7.363 7.051 0.312 18916 198 1 1 . 1 1 42 42 LEU N N 42 121.687 121.687 124.101 -2.414 18916 199 1 1 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.261 -0.373 18916 200 1 1 . 1 1 42 42 LEU CA C 42 54.041 54.041 53.545 0.496 18916 201 1 1 . 1 1 42 42 LEU CB C 42 41.096 41.096 42.876 -1.780 18916 202 1 1 . 1 1 42 42 LEU H H 42 8.252 8.252 7.242 1.010 18916 203 1 1 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.614 -0.380 18916 204 1 1 . 1 1 46 46 LYS CA C 46 56.885 56.885 57.202 -0.317 18916 205 1 1 . 1 1 46 46 LYS CB C 46 32.542 32.542 31.783 0.759 18916 206 1 1 . 1 1 47 47 THR HA H 47 4.168 4.168 4.470 -0.302 18916 207 1 1 . 1 1 47 47 THR C C 47 174.186 174.186 173.066 1.120 18916 208 1 1 . 1 1 47 47 THR CA C 47 62.706 62.706 61.385 1.321 18916 209 1 1 . 1 1 47 47 THR CB C 47 69.762 69.762 69.369 0.393 18916 210 1 1 . 1 1 48 48 VAL N N 48 123.218 123.218 119.751 3.467 18916 211 1 1 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.477 -0.634 18916 212 1 1 . 1 1 48 48 VAL C C 48 174.985 174.985 174.264 0.721 18916 213 1 1 . 1 1 48 48 VAL CA C 48 62.146 62.146 61.080 1.066 18916 214 1 1 . 1 1 48 48 VAL CB C 48 33.167 33.167 35.165 -1.998 18916 215 1 1 . 1 1 48 48 VAL H H 48 7.771 7.771 7.396 0.375 18916 216 1 1 . 1 1 49 49 THR N N 49 116.982 116.982 117.322 -0.340 18916 217 1 1 . 1 1 49 49 THR HA H 49 4.319 4.319 4.645 -0.326 18916 218 1 1 . 1 1 49 49 THR C C 49 176.118 176.118 173.959 2.159 18916 219 1 1 . 1 1 49 49 THR CA C 49 62.831 62.831 61.341 1.490 18916 220 1 1 . 1 1 49 49 THR CB C 49 69.114 69.114 69.801 -0.687 18916 221 1 1 . 1 1 49 49 THR H H 49 9.798 9.798 8.282 1.516 18916 222 1 1 . 1 1 50 50 HIS N N 50 121.799 121.799 119.462 2.337 18916 223 1 1 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.232 -0.316 18916 224 1 1 . 1 1 50 50 HIS C C 50 172.849 172.849 173.465 -0.616 18916 225 1 1 . 1 1 50 50 HIS CA C 50 56.654 56.654 55.450 1.204 18916 226 1 1 . 1 1 50 50 HIS CB C 50 34.649 34.649 33.548 1.101 18916 227 1 1 . 1 1 50 50 HIS H H 50 7.596 7.596 7.909 -0.313 18916 228 1 1 . 1 1 51 51 ILE N N 51 123.013 123.013 122.990 0.023 18916 229 1 1 . 1 1 51 51 ILE HA H 51 4.980 4.980 5.067 -0.087 18916 230 1 1 . 1 1 51 51 ILE C C 51 174.505 174.505 174.497 0.008 18916 231 1 1 . 1 1 51 51 ILE CA C 51 58.967 58.967 59.843 -0.875 18916 232 1 1 . 1 1 51 51 ILE CB C 51 39.153 39.153 41.835 -2.682 18916 233 1 1 . 1 1 51 51 ILE H H 51 8.996 8.996 8.187 0.809 18916 234 1 1 . 1 1 52 52 VAL N N 52 127.413 127.413 125.427 1.986 18916 235 1 1 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.850 0.452 18916 236 1 1 . 1 1 52 52 VAL C C 52 174.084 174.084 174.270 -0.186 18916 237 1 1 . 1 1 52 52 VAL CA C 52 59.207 59.207 60.842 -1.635 18916 238 1 1 . 1 1 52 52 VAL CB C 52 33.259 33.259 33.336 -0.077 18916 239 1 1 . 1 1 52 52 VAL H H 52 8.821 8.821 8.437 0.384 18916 240 1 1 . 1 1 53 53 ALA N N 53 127.601 127.601 129.991 -2.390 18916 241 1 1 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.502 -0.880 18916 242 1 1 . 1 1 53 53 ALA C C 53 174.680 174.680 176.715 -2.035 18916 243 1 1 . 1 1 53 53 ALA CA C 53 50.910 50.910 49.367 1.544 18916 244 1 1 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.897 0.263 18916 245 1 1 . 1 1 53 53 ALA H H 53 8.967 8.967 8.565 0.402 18916 246 1 1 . 1 1 54 54 SER N N 54 113.005 113.005 116.679 -3.674 18916 247 1 1 . 1 1 54 54 SER HA H 54 4.657 4.657 4.255 0.402 18916 248 1 1 . 1 1 54 54 SER C C 54 174.229 174.229 174.242 -0.013 18916 249 1 1 . 1 1 54 54 SER CA C 54 59.671 59.671 60.719 -1.048 18916 250 1 1 . 1 1 54 54 SER CB C 54 64.852 64.852 63.609 1.243 18916 251 1 1 . 1 1 54 54 SER H H 54 9.303 9.303 8.865 0.438 18916 252 1 1 . 1 1 55 55 ASN N N 55 117.475 117.475 116.748 0.727 18916 253 1 1 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.880 -0.279 18916 254 1 1 . 1 1 55 55 ASN C C 55 173.052 173.052 172.874 0.178 18916 255 1 1 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.626 0.499 18916 256 1 1 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.421 0.189 18916 257 1 1 . 1 1 55 55 ASN H H 55 7.917 7.917 8.090 -0.173 18916 258 1 1 . 1 1 56 56 LEU N N 56 122.146 122.146 124.239 -2.093 18916 259 1 1 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.894 -0.094 18916 260 1 1 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.389 0.516 18916 261 1 1 . 1 1 56 56 LEU CB C 56 44.592 44.592 44.697 -0.105 18916 262 1 1 . 1 1 56 56 LEU H H 56 8.792 8.792 8.505 0.287 18916 263 1 1 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.611 -0.046 18916 264 1 1 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.661 -0.471 18916 265 1 1 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.772 -0.273 18916 266 1 1 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.999 -0.079 18916 267 1 1 . 1 1 58 58 LEU C C 58 178.806 178.806 179.019 -0.213 18916 268 1 1 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.868 0.304 18916 269 1 1 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.586 0.003 18916 270 1 1 . 1 1 59 59 LYS N N 59 115.039 115.039 119.496 -4.457 18916 271 1 1 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.084 -0.112 18916 272 1 1 . 1 1 59 59 LYS C C 59 179.053 179.053 178.482 0.571 18916 273 1 1 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.708 0.816 18916 274 1 1 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.634 0.777 18916 275 1 1 . 1 1 59 59 LYS H H 59 8.763 8.763 8.348 0.415 18916 276 1 1 . 1 1 60 60 LYS N N 60 116.433 116.433 119.158 -2.725 18916 277 1 1 . 1 1 60 60 LYS HA H 60 3.960 3.960 4.048 -0.088 18916 278 1 1 . 1 1 60 60 LYS C C 60 176.874 176.874 179.265 -2.391 18916 279 1 1 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.117 -2.396 18916 280 1 1 . 1 1 60 60 LYS CB C 60 31.933 31.933 32.015 -0.082 18916 281 1 1 . 1 1 60 60 LYS H H 60 7.158 7.158 7.452 -0.294 18916 282 1 1 . 1 1 61 61 ARG N N 61 120.369 120.369 120.228 0.141 18916 283 1 1 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.147 -0.323 18916 284 1 1 . 1 1 61 61 ARG C C 61 179.213 179.213 178.228 0.985 18916 285 1 1 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.578 0.236 18916 286 1 1 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.181 -0.311 18916 287 1 1 . 1 1 61 61 ARG H H 61 7.902 7.902 7.929 -0.027 18916 288 1 1 . 1 1 62 62 ILE N N 62 117.956 117.956 117.710 0.246 18916 289 1 1 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.775 0.033 18916 290 1 1 . 1 1 62 62 ILE C C 62 178.966 178.966 178.523 0.443 18916 291 1 1 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.638 -0.476 18916 292 1 1 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.828 0.191 18916 293 1 1 . 1 1 62 62 ILE H H 62 7.727 7.727 7.540 0.187 18916 294 1 1 . 1 1 63 63 GLU N N 63 121.877 121.877 121.600 0.277 18916 295 1 1 . 1 1 63 63 GLU HA H 63 3.950 3.950 3.971 -0.021 18916 296 1 1 . 1 1 63 63 GLU C C 63 178.792 178.792 177.424 1.368 18916 297 1 1 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.903 0.399 18916 298 1 1 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.411 0.411 18916 299 1 1 . 1 1 63 63 GLU H H 63 7.713 7.713 7.896 -0.183 18916 300 1 1 . 1 1 64 64 PHE N N 64 115.684 115.684 115.700 -0.016 18916 301 1 1 . 1 1 64 64 PHE HA H 64 5.078 5.078 5.056 0.022 18916 302 1 1 . 1 1 64 64 PHE C C 64 175.886 175.886 175.854 0.032 18916 303 1 1 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.657 -1.798 18916 304 1 1 . 1 1 64 64 PHE CB C 64 37.431 37.431 38.517 -1.086 18916 305 1 1 . 1 1 64 64 PHE H H 64 8.077 8.077 7.848 0.229 18916 306 1 1 . 1 1 65 65 ALA N N 65 122.616 122.616 124.606 -1.990 18916 307 1 1 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.123 0.041 18916 308 1 1 . 1 1 65 65 ALA C C 65 178.356 178.356 178.441 -0.085 18916 309 1 1 . 1 1 65 65 ALA CA C 65 55.421 55.421 55.085 0.336 18916 310 1 1 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.918 0.325 18916 311 1 1 . 1 1 65 65 ALA H H 65 7.290 7.290 7.314 -0.024 18916 312 1 1 . 1 1 66 66 ASN N N 66 112.567 112.567 114.659 -2.092 18916 313 1 1 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.444 0.161 18916 314 1 1 . 1 1 66 66 ASN C C 66 174.374 174.374 175.173 -0.799 18916 315 1 1 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.363 -1.009 18916 316 1 1 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.428 -0.509 18916 317 1 1 . 1 1 66 66 ASN H H 66 8.602 8.602 8.582 0.020 18916 318 1 1 . 1 1 67 67 TYR N N 67 118.682 118.682 119.260 -0.578 18916 319 1 1 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.531 -0.003 18916 320 1 1 . 1 1 67 67 TYR C C 67 175.072 175.072 175.258 -0.186 18916 321 1 1 . 1 1 67 67 TYR CA C 67 56.641 56.641 56.509 0.132 18916 322 1 1 . 1 1 67 67 TYR CB C 67 40.822 40.822 39.603 1.219 18916 323 1 1 . 1 1 67 67 TYR H H 67 7.873 7.873 7.527 0.346 18916 324 1 1 . 1 1 68 68 LYS N N 68 121.419 121.419 124.768 -3.349 18916 325 1 1 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.236 -0.436 18916 326 1 1 . 1 1 68 68 LYS C C 68 174.491 174.491 176.032 -1.541 18916 327 1 1 . 1 1 68 68 LYS CA C 68 56.246 56.246 55.389 0.857 18916 328 1 1 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.082 2.582 18916 329 1 1 . 1 1 68 68 LYS H H 68 7.771 7.771 8.382 -0.611 18916 330 1 1 . 1 1 69 69 VAL N N 69 126.113 126.113 125.843 0.270 18916 331 1 1 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.598 0.584 18916 332 1 1 . 1 1 69 69 VAL C C 69 176.365 176.365 175.607 0.758 18916 333 1 1 . 1 1 69 69 VAL CA C 69 60.879 60.879 62.598 -1.719 18916 334 1 1 . 1 1 69 69 VAL CB C 69 32.355 32.355 32.078 0.278 18916 335 1 1 . 1 1 69 69 VAL H H 69 8.384 8.384 8.104 0.280 18916 336 1 1 . 1 1 70 70 VAL N N 70 120.358 120.358 120.324 0.034 18916 337 1 1 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.196 0.181 18916 338 1 1 . 1 1 70 70 VAL C C 70 174.040 174.040 174.390 -0.350 18916 339 1 1 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.707 -0.858 18916 340 1 1 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.462 1.291 18916 341 1 1 . 1 1 70 70 VAL H H 70 9.390 9.390 8.963 0.427 18916 342 1 1 . 1 1 71 71 SER N N 71 114.634 114.634 115.451 -0.817 18916 343 1 1 . 1 1 71 71 SER HA H 71 5.630 5.630 5.515 0.115 18916 344 1 1 . 1 1 71 71 SER CA C 71 60.584 60.584 54.569 6.015 18916 345 1 1 . 1 1 71 71 SER CB C 71 60.367 60.367 64.248 -3.881 18916 346 1 1 . 1 1 71 71 SER H H 71 8.354 8.354 8.297 0.057 18916 347 1 1 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.286 -0.150 18916 348 1 1 . 1 1 72 72 PRO C C 72 177.193 177.193 177.703 -0.510 18916 349 1 1 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.186 -0.124 18916 350 1 1 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.636 0.703 18916 351 1 1 . 1 1 73 73 ASP N N 73 115.868 115.868 119.069 -3.201 18916 352 1 1 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.299 -0.097 18916 353 1 1 . 1 1 73 73 ASP C C 73 175.450 175.450 178.052 -2.602 18916 354 1 1 . 1 1 73 73 ASP CA C 73 56.426 56.426 57.393 -0.967 18916 355 1 1 . 1 1 73 73 ASP CB C 73 39.355 39.355 40.224 -0.869 18916 356 1 1 . 1 1 73 73 ASP H H 73 8.427 8.427 7.962 0.465 18916 357 1 1 . 1 1 74 74 TRP N N 74 121.252 121.252 121.945 -0.693 18916 358 1 1 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.460 -0.842 18916 359 1 1 . 1 1 74 74 TRP C C 74 178.472 178.472 177.580 0.892 18916 360 1 1 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.613 -0.598 18916 361 1 1 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.171 -0.441 18916 362 1 1 . 1 1 74 74 TRP H H 74 7.833 7.833 7.814 0.019 18916 363 1 1 . 1 1 75 75 ILE N N 75 116.185 116.185 119.486 -3.301 18916 364 1 1 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.695 -0.451 18916 365 1 1 . 1 1 75 75 ILE C C 75 176.728 176.728 178.110 -1.382 18916 366 1 1 . 1 1 75 75 ILE CA C 75 62.895 62.895 63.834 -0.939 18916 367 1 1 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.907 -0.686 18916 368 1 1 . 1 1 75 75 ILE H H 75 6.969 6.969 7.402 -0.433 18916 369 1 1 . 1 1 76 76 VAL N N 76 117.042 117.042 120.004 -2.962 18916 370 1 1 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.385 -0.189 18916 371 1 1 . 1 1 76 76 VAL C C 76 178.675 178.675 177.822 0.853 18916 372 1 1 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.217 -0.272 18916 373 1 1 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.378 1.267 18916 374 1 1 . 1 1 76 76 VAL H H 76 7.056 7.056 8.079 -1.023 18916 375 1 1 . 1 1 77 77 ASP N N 77 120.009 120.009 117.752 2.257 18916 376 1 1 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.372 -0.068 18916 377 1 1 . 1 1 77 77 ASP C C 77 178.515 178.515 178.193 0.322 18916 378 1 1 . 1 1 77 77 ASP CA C 77 56.998 56.998 56.920 0.078 18916 379 1 1 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.980 -2.130 18916 380 1 1 . 1 1 77 77 ASP H H 77 9.171 9.171 7.890 1.281 18916 381 1 1 . 1 1 78 78 SER N N 78 117.973 117.973 115.865 2.108 18916 382 1 1 . 1 1 78 78 SER HA H 78 4.391 4.391 4.044 0.347 18916 383 1 1 . 1 1 78 78 SER C C 78 175.290 175.290 176.547 -1.257 18916 384 1 1 . 1 1 78 78 SER CA C 78 62.948 62.948 61.677 1.271 18916 385 1 1 . 1 1 78 78 SER CB C 78 63.080 63.080 62.842 0.238 18916 386 1 1 . 1 1 78 78 SER H H 78 7.056 7.056 7.533 -0.477 18916 387 1 1 . 1 1 79 79 VAL N N 79 119.889 119.889 121.808 -1.919 18916 388 1 1 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.479 -0.571 18916 389 1 1 . 1 1 79 79 VAL C C 79 179.169 179.169 177.939 1.230 18916 390 1 1 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.307 1.557 18916 391 1 1 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.033 -0.203 18916 392 1 1 . 1 1 79 79 VAL H H 79 7.596 7.596 7.639 -0.043 18916 393 1 1 . 1 1 80 80 LYS N N 80 121.062 121.062 118.403 2.659 18916 394 1 1 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.083 -0.193 18916 395 1 1 . 1 1 80 80 LYS C C 80 178.806 178.806 178.435 0.371 18916 396 1 1 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.670 1.109 18916 397 1 1 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.465 -0.134 18916 398 1 1 . 1 1 80 80 LYS H H 80 7.946 7.946 7.446 0.500 18916 399 1 1 . 1 1 81 81 GLU N N 81 115.870 115.870 116.549 -0.679 18916 400 1 1 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.385 -0.257 18916 401 1 1 . 1 1 81 81 GLU C C 81 174.912 174.912 176.440 -1.528 18916 402 1 1 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.813 0.657 18916 403 1 1 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.899 -0.286 18916 404 1 1 . 1 1 81 81 GLU H H 81 8.063 8.063 7.823 0.240 18916 405 1 1 . 1 1 82 82 ALA N N 82 122.380 122.380 121.043 1.337 18916 406 1 1 . 1 1 82 82 ALA HA H 82 3.708 3.708 4.020 -0.312 18916 407 1 1 . 1 1 82 82 ALA C C 82 175.711 175.711 175.662 0.049 18916 408 1 1 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.486 -1.025 18916 409 1 1 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.249 -0.668 18916 410 1 1 . 1 1 82 82 ALA H H 82 7.931 7.931 7.950 -0.019 18916 411 1 1 . 1 1 83 83 ARG N N 83 115.619 115.619 115.463 0.156 18916 412 1 1 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.765 -0.575 18916 413 1 1 . 1 1 83 83 ARG C C 83 172.050 172.050 173.672 -1.622 18916 414 1 1 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.945 1.217 18916 415 1 1 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.855 -0.500 18916 416 1 1 . 1 1 83 83 ARG H H 83 8.165 8.165 7.885 0.280 18916 417 1 1 . 1 1 84 84 LEU N N 84 120.648 120.648 121.995 -1.347 18916 418 1 1 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.420 -0.704 18916 419 1 1 . 1 1 84 84 LEU C C 84 176.917 176.917 175.540 1.377 18916 420 1 1 . 1 1 84 84 LEU CA C 84 54.985 54.985 54.557 0.428 18916 421 1 1 . 1 1 84 84 LEU CB C 84 41.311 41.311 42.326 -1.015 18916 422 1 1 . 1 1 84 84 LEU H H 84 8.325 8.325 8.300 0.025 18916 423 1 1 . 1 1 85 85 LEU N N 85 132.955 132.955 127.521 5.434 18916 424 1 1 . 1 1 85 85 LEU HA H 85 4.597 4.597 5.013 -0.416 18916 425 1 1 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.100 2.548 18916 426 1 1 . 1 1 85 85 LEU CB C 85 40.363 40.363 44.014 -3.651 18916 427 1 1 . 1 1 85 85 LEU H H 85 7.946 7.946 8.285 -0.339 18916 428 1 1 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.248 0.337 18916 429 1 1 . 1 1 86 86 PRO C C 86 178.835 178.835 177.327 1.508 18916 430 1 1 . 1 1 86 86 PRO CA C 86 63.775 63.775 62.804 0.971 18916 431 1 1 . 1 1 86 86 PRO CB C 86 31.549 31.549 30.657 0.892 18916 432 1 1 . 1 1 87 87 TRP N N 87 128.323 128.323 126.805 1.518 18916 433 1 1 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.999 -0.364 18916 434 1 1 . 1 1 87 87 TRP C C 87 177.963 177.963 176.057 1.906 18916 435 1 1 . 1 1 87 87 TRP CA C 87 59.553 59.553 58.475 1.078 18916 436 1 1 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.292 -0.331 18916 437 1 1 . 1 1 87 87 TRP H H 87 8.369 8.369 7.814 0.555 18916 438 1 1 . 1 1 88 88 GLN N N 88 120.928 120.928 116.605 4.323 18916 439 1 1 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.942 -1.037 18916 440 1 1 . 1 1 88 88 GLN C C 88 178.196 178.196 178.028 0.168 18916 441 1 1 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.893 2.029 18916 442 1 1 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.905 -1.445 18916 443 1 1 . 1 1 88 88 GLN H H 88 8.354 8.354 7.745 0.609 18916 444 1 1 . 1 1 89 89 ASN N N 89 116.452 116.452 118.571 -2.119 18916 445 1 1 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.481 -0.182 18916 446 1 1 . 1 1 89 89 ASN C C 89 174.752 174.752 176.451 -1.699 18916 447 1 1 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.915 -0.784 18916 448 1 1 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.486 -1.125 18916 449 1 1 . 1 1 89 89 ASN H H 89 7.304 7.304 7.601 -0.297 18916 450 1 1 . 1 1 90 90 TYR N N 90 118.336 118.336 116.650 1.686 18916 451 1 1 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.687 -0.073 18916 452 1 1 . 1 1 90 90 TYR C C 90 174.534 174.534 174.916 -0.382 18916 453 1 1 . 1 1 90 90 TYR CA C 90 57.534 57.534 56.792 0.742 18916 454 1 1 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.264 1.889 18916 455 1 1 . 1 1 90 90 TYR H H 90 8.048 8.048 7.676 0.372 18916 456 1 1 . 1 1 91 91 SER N N 91 114.053 114.053 115.738 -1.685 18916 457 1 1 . 1 1 91 91 SER HA H 91 5.015 5.015 4.573 0.442 18916 458 1 1 . 1 1 91 91 SER C C 91 176.205 176.205 175.171 1.034 18916 459 1 1 . 1 1 91 91 SER CA C 91 58.037 58.037 59.028 -0.991 18916 460 1 1 . 1 1 91 91 SER CB C 91 64.342 64.342 63.221 1.121 18916 461 1 1 . 1 1 91 91 SER H H 91 7.012 7.012 7.367 -0.355 18916 462 1 1 . 1 1 92 92 LEU N N 92 126.106 126.106 127.231 -1.125 18916 463 1 1 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.590 0.015 18916 464 1 1 . 1 1 92 92 LEU C C 92 177.687 177.687 177.287 0.400 18916 465 1 1 . 1 1 92 92 LEU CA C 92 55.405 55.405 54.698 0.707 18916 466 1 1 . 1 1 92 92 LEU CB C 92 42.887 42.887 42.371 0.516 18916 467 1 1 . 1 1 92 92 LEU H H 92 8.777 8.777 8.722 0.055 18916 468 1 1 . 1 1 93 93 THR N N 93 112.458 112.458 113.992 -1.534 18916 469 1 1 . 1 1 93 93 THR HA H 93 4.489 4.489 4.228 0.261 18916 470 1 1 . 1 1 93 93 THR C C 93 173.851 173.851 174.625 -0.774 18916 471 1 1 . 1 1 93 93 THR CA C 93 61.318 61.318 63.821 -2.503 18916 472 1 1 . 1 1 93 93 THR CB C 93 69.853 69.853 69.252 0.601 18916 473 1 1 . 1 1 93 93 THR H H 93 8.252 8.252 7.777 0.475 18916 474 1 2 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.468 -0.686 18916 475 1 2 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.625 1.253 18916 476 1 2 . 1 1 4 4 GLN CB C 4 29.441 29.441 27.534 1.907 18916 477 1 2 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.654 -0.100 18916 478 1 2 . 1 1 7 7 LYS C C 7 178.298 178.298 177.969 0.329 18916 479 1 2 . 1 1 7 7 LYS CA C 7 54.750 54.750 55.795 -1.045 18916 480 1 2 . 1 1 7 7 LYS CB C 7 32.593 32.593 32.719 -0.126 18916 481 1 2 . 1 1 8 8 ILE N N 8 119.676 119.676 121.689 -2.013 18916 482 1 2 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.533 0.051 18916 483 1 2 . 1 1 8 8 ILE C C 8 177.164 177.164 176.603 0.561 18916 484 1 2 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.597 1.315 18916 485 1 2 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.768 1.206 18916 486 1 2 . 1 1 8 8 ILE H H 8 7.633 7.633 7.859 -0.227 18916 487 1 2 . 1 1 9 9 PHE N N 9 113.639 113.639 113.895 -0.256 18916 488 1 2 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.818 0.094 18916 489 1 2 . 1 1 9 9 PHE C C 9 174.520 174.520 176.262 -1.742 18916 490 1 2 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.673 0.366 18916 491 1 2 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.100 -0.386 18916 492 1 2 . 1 1 9 9 PHE H H 9 8.403 8.403 7.651 0.752 18916 493 1 2 . 1 1 10 10 LYS N N 10 120.104 120.104 123.300 -3.196 18916 494 1 2 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.279 -0.136 18916 495 1 2 . 1 1 10 10 LYS C C 10 177.600 177.600 177.699 -0.099 18916 496 1 2 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.998 -0.490 18916 497 1 2 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.290 0.150 18916 498 1 2 . 1 1 10 10 LYS H H 10 7.328 7.328 7.601 -0.273 18916 499 1 2 . 1 1 11 11 ASN N N 11 116.960 116.960 113.874 3.086 18916 500 1 2 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.753 -0.208 18916 501 1 2 . 1 1 11 11 ASN C C 11 175.566 175.566 174.963 0.603 18916 502 1 2 . 1 1 11 11 ASN CA C 11 55.479 55.479 52.827 2.652 18916 503 1 2 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.104 -0.576 18916 504 1 2 . 1 1 11 11 ASN H H 11 8.984 8.984 8.602 0.382 18916 505 1 2 . 1 1 12 12 CYS N N 12 118.344 118.344 120.914 -2.570 18916 506 1 2 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.781 0.345 18916 507 1 2 . 1 1 12 12 CYS C C 12 175.014 175.014 173.398 1.616 18916 508 1 2 . 1 1 12 12 CYS CA C 12 59.549 59.549 58.031 1.518 18916 509 1 2 . 1 1 12 12 CYS CB C 12 29.319 29.319 29.485 -0.166 18916 510 1 2 . 1 1 12 12 CYS H H 12 8.460 8.460 7.801 0.659 18916 511 1 2 . 1 1 13 13 VAL N N 13 128.765 128.765 128.695 0.070 18916 512 1 2 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.508 -0.119 18916 513 1 2 . 1 1 13 13 VAL C C 13 174.912 174.912 174.825 0.087 18916 514 1 2 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.894 0.400 18916 515 1 2 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.923 0.545 18916 516 1 2 . 1 1 13 13 VAL H H 13 9.878 9.878 8.884 0.994 18916 517 1 2 . 1 1 14 14 ILE N N 14 128.270 128.270 126.244 2.026 18916 518 1 2 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.162 0.038 18916 519 1 2 . 1 1 14 14 ILE C C 14 174.098 174.098 175.178 -1.080 18916 520 1 2 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.713 0.591 18916 521 1 2 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.350 1.194 18916 522 1 2 . 1 1 14 14 ILE H H 14 8.841 8.841 8.432 0.409 18916 523 1 2 . 1 1 15 15 TYR N N 15 125.475 125.475 129.100 -3.625 18916 524 1 2 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.335 -0.226 18916 525 1 2 . 1 1 15 15 TYR C C 15 173.023 173.023 173.748 -0.725 18916 526 1 2 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.627 0.259 18916 527 1 2 . 1 1 15 15 TYR CB C 15 42.813 42.813 41.830 0.983 18916 528 1 2 . 1 1 15 15 TYR H H 15 8.023 8.023 8.946 -0.923 18916 529 1 2 . 1 1 16 16 ILE N N 16 128.262 128.262 125.496 2.766 18916 530 1 2 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.039 0.328 18916 531 1 2 . 1 1 16 16 ILE C C 16 173.895 173.895 173.489 0.406 18916 532 1 2 . 1 1 16 16 ILE CA C 16 59.688 59.688 59.744 -0.056 18916 533 1 2 . 1 1 16 16 ILE CB C 16 36.912 36.912 40.100 -3.188 18916 534 1 2 . 1 1 16 16 ILE H H 16 8.708 8.708 8.195 0.513 18916 535 1 2 . 1 1 17 17 ASN N N 17 126.842 126.842 124.326 2.516 18916 536 1 2 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.709 -0.048 18916 537 1 2 . 1 1 17 17 ASN C C 17 174.171 174.171 174.168 0.003 18916 538 1 2 . 1 1 17 17 ASN CA C 17 52.887 52.887 52.459 0.428 18916 539 1 2 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.836 1.108 18916 540 1 2 . 1 1 17 17 ASN H H 17 8.974 8.974 8.347 0.627 18916 541 1 2 . 1 1 18 18 GLY N N 18 113.508 113.508 112.416 1.092 18916 542 1 2 . 1 1 18 18 GLY C C 18 172.529 172.529 173.513 -0.984 18916 543 1 2 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.764 0.421 18916 544 1 2 . 1 1 18 18 GLY H H 18 8.727 8.727 8.488 0.239 18916 545 1 2 . 1 1 19 19 TYR N N 19 121.021 121.021 121.682 -0.661 18916 546 1 2 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.472 -0.022 18916 547 1 2 . 1 1 19 19 TYR C C 19 176.147 176.147 175.392 0.755 18916 548 1 2 . 1 1 19 19 TYR CA C 19 58.982 58.982 58.417 0.565 18916 549 1 2 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.097 0.604 18916 550 1 2 . 1 1 19 19 TYR H H 19 8.651 8.651 8.820 -0.169 18916 551 1 2 . 1 1 20 20 THR N N 20 117.677 117.677 115.198 2.479 18916 552 1 2 . 1 1 20 20 THR HA H 20 4.279 4.279 4.625 -0.346 18916 553 1 2 . 1 1 20 20 THR C C 20 171.803 171.803 173.383 -1.580 18916 554 1 2 . 1 1 20 20 THR CA C 20 59.986 59.986 60.501 -0.514 18916 555 1 2 . 1 1 20 20 THR CB C 20 73.362 73.362 71.493 1.869 18916 556 1 2 . 1 1 20 20 THR H H 20 7.242 7.242 8.137 -0.895 18916 557 1 2 . 1 1 21 21 LYS N N 21 120.592 120.592 124.540 -3.948 18916 558 1 2 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.720 -0.673 18916 559 1 2 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.346 1.683 18916 560 1 2 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.190 2.636 18916 561 1 2 . 1 1 21 21 LYS H H 21 7.718 7.718 8.431 -0.713 18916 562 1 2 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.474 0.116 18916 563 1 2 . 1 1 22 22 PRO C C 22 175.043 175.043 176.899 -1.856 18916 564 1 2 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.349 0.599 18916 565 1 2 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.270 2.270 18916 566 1 2 . 1 1 23 23 GLY N N 23 105.352 105.352 106.773 -1.421 18916 567 1 2 . 1 1 23 23 GLY C C 23 172.762 172.762 175.867 -3.105 18916 568 1 2 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.333 0.547 18916 569 1 2 . 1 1 23 23 GLY H H 23 8.356 8.356 8.465 -0.109 18916 570 1 2 . 1 1 24 24 ARG N N 24 119.274 119.274 122.441 -3.167 18916 571 1 2 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.589 -0.314 18916 572 1 2 . 1 1 24 24 ARG C C 24 176.263 176.263 177.835 -1.572 18916 573 1 2 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.770 1.150 18916 574 1 2 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.504 0.827 18916 575 1 2 . 1 1 24 24 ARG H H 24 7.813 7.813 8.584 -0.771 18916 576 1 2 . 1 1 25 25 LEU N N 25 116.403 116.403 115.652 0.751 18916 577 1 2 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.342 -0.652 18916 578 1 2 . 1 1 25 25 LEU C C 25 179.562 179.562 178.931 0.631 18916 579 1 2 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.348 1.043 18916 580 1 2 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.766 0.078 18916 581 1 2 . 1 1 25 25 LEU H H 25 8.156 8.156 7.914 0.242 18916 582 1 2 . 1 1 26 26 GLN N N 26 118.294 118.294 118.833 -0.539 18916 583 1 2 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.103 -0.137 18916 584 1 2 . 1 1 26 26 GLN C C 26 179.358 179.358 178.506 0.852 18916 585 1 2 . 1 1 26 26 GLN CA C 26 59.322 59.322 57.989 1.333 18916 586 1 2 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.373 -0.316 18916 587 1 2 . 1 1 26 26 GLN H H 26 7.423 7.423 7.500 -0.077 18916 588 1 2 . 1 1 27 27 LEU N N 27 119.419 119.419 120.182 -0.763 18916 589 1 2 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.717 0.211 18916 590 1 2 . 1 1 27 27 LEU C C 27 178.777 178.777 178.921 -0.144 18916 591 1 2 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.203 -0.179 18916 592 1 2 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.547 0.343 18916 593 1 2 . 1 1 27 27 LEU H H 27 8.127 8.127 8.065 0.062 18916 594 1 2 . 1 1 28 28 HIS N N 28 118.332 118.332 117.192 1.140 18916 595 1 2 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.873 -0.131 18916 596 1 2 . 1 1 28 28 HIS C C 28 177.121 177.121 177.685 -0.564 18916 597 1 2 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.538 -1.740 18916 598 1 2 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.324 0.117 18916 599 1 2 . 1 1 28 28 HIS H H 28 8.727 8.727 8.117 0.610 18916 600 1 2 . 1 1 29 29 GLU N N 29 116.699 116.699 119.369 -2.670 18916 601 1 2 . 1 1 29 29 GLU HA H 29 3.978 3.978 4.077 -0.099 18916 602 1 2 . 1 1 29 29 GLU C C 29 178.951 178.951 178.952 -0.001 18916 603 1 2 . 1 1 29 29 GLU CA C 29 59.276 59.276 58.870 0.406 18916 604 1 2 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.192 0.492 18916 605 1 2 . 1 1 29 29 GLU H H 29 7.518 7.518 7.619 -0.101 18916 606 1 2 . 1 1 30 30 MET N N 30 118.090 118.090 117.219 0.871 18916 607 1 2 . 1 1 30 30 MET HA H 30 4.055 4.055 4.334 -0.279 18916 608 1 2 . 1 1 30 30 MET C C 30 177.992 177.992 178.744 -0.752 18916 609 1 2 . 1 1 30 30 MET CA C 30 60.040 60.040 57.192 2.848 18916 610 1 2 . 1 1 30 30 MET CB C 30 34.522 34.522 31.889 2.633 18916 611 1 2 . 1 1 30 30 MET H H 30 7.766 7.766 7.814 -0.048 18916 612 1 2 . 1 1 31 31 ILE N N 31 118.458 118.458 117.942 0.516 18916 613 1 2 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.511 -0.259 18916 614 1 2 . 1 1 31 31 ILE C C 31 178.007 178.007 178.122 -0.115 18916 615 1 2 . 1 1 31 31 ILE CA C 31 64.891 64.891 64.603 0.288 18916 616 1 2 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.885 0.297 18916 617 1 2 . 1 1 31 31 ILE H H 31 8.337 8.337 7.695 0.642 18916 618 1 2 . 1 1 32 32 VAL N N 32 117.878 117.878 120.460 -2.582 18916 619 1 2 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.181 -0.178 18916 620 1 2 . 1 1 32 32 VAL C C 32 180.884 180.884 179.135 1.749 18916 621 1 2 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.629 -0.253 18916 622 1 2 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.409 0.588 18916 623 1 2 . 1 1 32 32 VAL H H 32 7.888 7.888 7.867 0.021 18916 624 1 2 . 1 1 33 33 LEU N N 33 123.609 123.609 116.915 6.694 18916 625 1 2 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.080 -0.007 18916 626 1 2 . 1 1 33 33 LEU C C 33 177.498 177.498 177.223 0.275 18916 627 1 2 . 1 1 33 33 LEU CA C 33 57.662 57.662 56.713 0.949 18916 628 1 2 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.668 1.622 18916 629 1 2 . 1 1 33 33 LEU H H 33 8.281 8.281 8.235 0.046 18916 630 1 2 . 1 1 34 34 HIS N N 34 113.272 113.272 115.401 -2.129 18916 631 1 2 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.731 -0.016 18916 632 1 2 . 1 1 34 34 HIS C C 34 175.464 175.464 175.797 -0.333 18916 633 1 2 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.553 0.842 18916 634 1 2 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.804 -0.036 18916 635 1 2 . 1 1 34 34 HIS H H 34 7.319 7.319 7.472 -0.153 18916 636 1 2 . 1 1 35 35 GLY N N 35 104.307 104.307 107.442 -3.135 18916 637 1 2 . 1 1 35 35 GLY C C 35 174.985 174.985 174.484 0.501 18916 638 1 2 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.543 1.771 18916 639 1 2 . 1 1 35 35 GLY H H 35 7.392 7.392 8.269 -0.877 18916 640 1 2 . 1 1 36 36 GLY N N 36 108.630 108.630 107.953 0.677 18916 641 1 2 . 1 1 36 36 GLY C C 36 171.701 171.701 172.652 -0.951 18916 642 1 2 . 1 1 36 36 GLY CA C 36 44.392 44.392 43.594 0.798 18916 643 1 2 . 1 1 36 36 GLY H H 36 8.763 8.763 8.170 0.593 18916 644 1 2 . 1 1 37 37 LYS N N 37 115.119 115.119 119.667 -4.548 18916 645 1 2 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.885 -0.271 18916 646 1 2 . 1 1 37 37 LYS C C 37 174.302 174.302 175.106 -0.804 18916 647 1 2 . 1 1 37 37 LYS CA C 37 54.319 54.319 54.576 -0.257 18916 648 1 2 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.316 0.934 18916 649 1 2 . 1 1 37 37 LYS H H 37 7.406 7.406 8.023 -0.617 18916 650 1 2 . 1 1 38 38 PHE N N 38 117.196 117.196 118.917 -1.721 18916 651 1 2 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.489 0.399 18916 652 1 2 . 1 1 38 38 PHE C C 38 173.604 173.604 173.832 -0.228 18916 653 1 2 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.215 -0.363 18916 654 1 2 . 1 1 38 38 PHE CB C 38 43.379 43.379 41.852 1.527 18916 655 1 2 . 1 1 38 38 PHE H H 38 7.844 7.844 8.078 -0.234 18916 656 1 2 . 1 1 39 39 LEU N N 39 119.576 119.576 121.296 -1.720 18916 657 1 2 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.645 -0.041 18916 658 1 2 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.592 -0.931 18916 659 1 2 . 1 1 39 39 LEU CB C 39 45.901 45.901 46.405 -0.504 18916 660 1 2 . 1 1 39 39 LEU H H 39 8.223 8.223 8.598 -0.375 18916 661 1 2 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.660 -0.021 18916 662 1 2 . 1 1 40 40 HIS C C 40 174.694 174.694 174.560 0.134 18916 663 1 2 . 1 1 40 40 HIS CA C 40 58.670 58.670 56.941 1.729 18916 664 1 2 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.894 0.996 18916 665 1 2 . 1 1 41 41 TYR N N 41 115.005 115.005 117.950 -2.945 18916 666 1 2 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.123 0.537 18916 667 1 2 . 1 1 41 41 TYR C C 41 173.023 173.023 173.542 -0.519 18916 668 1 2 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.575 -1.677 18916 669 1 2 . 1 1 41 41 TYR CB C 41 40.313 40.313 40.916 -0.603 18916 670 1 2 . 1 1 41 41 TYR H H 41 7.363 7.363 7.857 -0.494 18916 671 1 2 . 1 1 42 42 LEU N N 42 121.687 121.687 125.657 -3.970 18916 672 1 2 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.400 -0.512 18916 673 1 2 . 1 1 42 42 LEU CA C 42 54.041 54.041 54.157 -0.116 18916 674 1 2 . 1 1 42 42 LEU CB C 42 41.096 41.096 41.384 -0.288 18916 675 1 2 . 1 1 42 42 LEU H H 42 8.252 8.252 7.655 0.597 18916 676 1 2 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.653 -0.419 18916 677 1 2 . 1 1 46 46 LYS CA C 46 56.885 56.885 56.032 0.853 18916 678 1 2 . 1 1 46 46 LYS CB C 46 32.542 32.542 30.358 2.184 18916 679 1 2 . 1 1 47 47 THR HA H 47 4.168 4.168 4.390 -0.222 18916 680 1 2 . 1 1 47 47 THR C C 47 174.186 174.186 173.618 0.568 18916 681 1 2 . 1 1 47 47 THR CA C 47 62.706 62.706 62.800 -0.094 18916 682 1 2 . 1 1 47 47 THR CB C 47 69.762 69.762 69.519 0.243 18916 683 1 2 . 1 1 48 48 VAL N N 48 123.218 123.218 119.371 3.847 18916 684 1 2 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.425 -0.582 18916 685 1 2 . 1 1 48 48 VAL C C 48 174.985 174.985 174.623 0.362 18916 686 1 2 . 1 1 48 48 VAL CA C 48 62.146 62.146 59.614 2.532 18916 687 1 2 . 1 1 48 48 VAL CB C 48 33.167 33.167 33.876 -0.709 18916 688 1 2 . 1 1 48 48 VAL H H 48 7.771 7.771 7.186 0.585 18916 689 1 2 . 1 1 49 49 THR N N 49 116.982 116.982 116.710 0.272 18916 690 1 2 . 1 1 49 49 THR HA H 49 4.319 4.319 4.607 -0.288 18916 691 1 2 . 1 1 49 49 THR C C 49 176.118 176.118 173.945 2.173 18916 692 1 2 . 1 1 49 49 THR CA C 49 62.831 62.831 61.569 1.262 18916 693 1 2 . 1 1 49 49 THR CB C 49 69.114 69.114 70.464 -1.350 18916 694 1 2 . 1 1 49 49 THR H H 49 9.798 9.798 8.395 1.403 18916 695 1 2 . 1 1 50 50 HIS N N 50 121.799 121.799 119.720 2.079 18916 696 1 2 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.248 -0.332 18916 697 1 2 . 1 1 50 50 HIS C C 50 172.849 172.849 173.420 -0.571 18916 698 1 2 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.871 1.783 18916 699 1 2 . 1 1 50 50 HIS CB C 50 34.649 34.649 32.906 1.743 18916 700 1 2 . 1 1 50 50 HIS H H 50 7.596 7.596 7.850 -0.254 18916 701 1 2 . 1 1 51 51 ILE N N 51 123.013 123.013 123.563 -0.550 18916 702 1 2 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.921 0.059 18916 703 1 2 . 1 1 51 51 ILE C C 51 174.505 174.505 174.721 -0.216 18916 704 1 2 . 1 1 51 51 ILE CA C 51 58.967 58.967 59.911 -0.944 18916 705 1 2 . 1 1 51 51 ILE CB C 51 39.153 39.153 41.218 -2.065 18916 706 1 2 . 1 1 51 51 ILE H H 51 8.996 8.996 8.158 0.838 18916 707 1 2 . 1 1 52 52 VAL N N 52 127.413 127.413 125.424 1.989 18916 708 1 2 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.843 0.459 18916 709 1 2 . 1 1 52 52 VAL C C 52 174.084 174.084 174.524 -0.440 18916 710 1 2 . 1 1 52 52 VAL CA C 52 59.207 59.207 60.740 -1.533 18916 711 1 2 . 1 1 52 52 VAL CB C 52 33.259 33.259 33.237 0.022 18916 712 1 2 . 1 1 52 52 VAL H H 52 8.821 8.821 8.444 0.377 18916 713 1 2 . 1 1 53 53 ALA N N 53 127.601 127.601 128.528 -0.927 18916 714 1 2 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.243 -0.621 18916 715 1 2 . 1 1 53 53 ALA C C 53 174.680 174.680 175.845 -1.165 18916 716 1 2 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.998 -0.088 18916 717 1 2 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.617 0.543 18916 718 1 2 . 1 1 53 53 ALA H H 53 8.967 8.967 8.499 0.468 18916 719 1 2 . 1 1 54 54 SER N N 54 113.005 113.005 115.770 -2.765 18916 720 1 2 . 1 1 54 54 SER HA H 54 4.657 4.657 4.514 0.143 18916 721 1 2 . 1 1 54 54 SER C C 54 174.229 174.229 174.446 -0.217 18916 722 1 2 . 1 1 54 54 SER CA C 54 59.671 59.671 58.518 1.153 18916 723 1 2 . 1 1 54 54 SER CB C 54 64.852 64.852 63.754 1.098 18916 724 1 2 . 1 1 54 54 SER H H 54 9.303 9.303 8.724 0.579 18916 725 1 2 . 1 1 55 55 ASN N N 55 117.475 117.475 121.190 -3.715 18916 726 1 2 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.869 -0.268 18916 727 1 2 . 1 1 55 55 ASN C C 55 173.052 173.052 173.347 -0.295 18916 728 1 2 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.883 0.242 18916 729 1 2 . 1 1 55 55 ASN CB C 55 40.610 40.610 39.547 1.063 18916 730 1 2 . 1 1 55 55 ASN H H 55 7.917 7.917 8.392 -0.475 18916 731 1 2 . 1 1 56 56 LEU N N 56 122.146 122.146 126.686 -4.540 18916 732 1 2 . 1 1 56 56 LEU HA H 56 4.800 4.800 5.002 -0.202 18916 733 1 2 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.661 0.244 18916 734 1 2 . 1 1 56 56 LEU CB C 56 44.592 44.592 45.057 -0.465 18916 735 1 2 . 1 1 56 56 LEU H H 56 8.792 8.792 8.523 0.269 18916 736 1 2 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.587 -0.022 18916 737 1 2 . 1 1 57 57 PRO CA C 57 62.190 62.190 63.031 -0.841 18916 738 1 2 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.396 0.103 18916 739 1 2 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.946 -0.026 18916 740 1 2 . 1 1 58 58 LEU C C 58 178.806 178.806 178.548 0.258 18916 741 1 2 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.372 0.800 18916 742 1 2 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.670 -0.081 18916 743 1 2 . 1 1 59 59 LYS N N 59 115.039 115.039 118.757 -3.718 18916 744 1 2 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.027 -0.055 18916 745 1 2 . 1 1 59 59 LYS C C 59 179.053 179.053 179.087 -0.034 18916 746 1 2 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.970 0.554 18916 747 1 2 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.392 1.018 18916 748 1 2 . 1 1 59 59 LYS H H 59 8.763 8.763 8.569 0.194 18916 749 1 2 . 1 1 60 60 LYS N N 60 116.433 116.433 119.211 -2.778 18916 750 1 2 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.925 0.035 18916 751 1 2 . 1 1 60 60 LYS C C 60 176.874 176.874 179.350 -2.476 18916 752 1 2 . 1 1 60 60 LYS CA C 60 55.721 55.721 57.843 -2.122 18916 753 1 2 . 1 1 60 60 LYS CB C 60 31.933 31.933 32.118 -0.185 18916 754 1 2 . 1 1 60 60 LYS H H 60 7.158 7.158 7.619 -0.461 18916 755 1 2 . 1 1 61 61 ARG N N 61 120.369 120.369 119.031 1.338 18916 756 1 2 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.247 -0.423 18916 757 1 2 . 1 1 61 61 ARG C C 61 179.213 179.213 178.445 0.768 18916 758 1 2 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.159 0.655 18916 759 1 2 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.221 -0.351 18916 760 1 2 . 1 1 61 61 ARG H H 61 7.902 7.902 7.882 0.020 18916 761 1 2 . 1 1 62 62 ILE N N 62 117.956 117.956 117.436 0.520 18916 762 1 2 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.950 -0.142 18916 763 1 2 . 1 1 62 62 ILE C C 62 178.966 178.966 178.155 0.811 18916 764 1 2 . 1 1 62 62 ILE CA C 62 64.162 64.162 63.869 0.293 18916 765 1 2 . 1 1 62 62 ILE CB C 62 38.019 38.019 38.322 -0.303 18916 766 1 2 . 1 1 62 62 ILE H H 62 7.727 7.727 7.806 -0.079 18916 767 1 2 . 1 1 63 63 GLU N N 63 121.877 121.877 122.449 -0.572 18916 768 1 2 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.000 -0.050 18916 769 1 2 . 1 1 63 63 GLU C C 63 178.792 178.792 178.343 0.449 18916 770 1 2 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.967 0.335 18916 771 1 2 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.273 0.549 18916 772 1 2 . 1 1 63 63 GLU H H 63 7.713 7.713 7.923 -0.210 18916 773 1 2 . 1 1 64 64 PHE N N 64 115.684 115.684 116.568 -0.884 18916 774 1 2 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.989 0.089 18916 775 1 2 . 1 1 64 64 PHE C C 64 175.886 175.886 176.271 -0.385 18916 776 1 2 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.651 -1.792 18916 777 1 2 . 1 1 64 64 PHE CB C 64 37.431 37.431 38.019 -0.588 18916 778 1 2 . 1 1 64 64 PHE H H 64 8.077 8.077 8.069 0.008 18916 779 1 2 . 1 1 65 65 ALA N N 65 122.616 122.616 123.409 -0.793 18916 780 1 2 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.307 -0.143 18916 781 1 2 . 1 1 65 65 ALA C C 65 178.356 178.356 177.913 0.443 18916 782 1 2 . 1 1 65 65 ALA CA C 65 55.421 55.421 53.895 1.526 18916 783 1 2 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.601 0.642 18916 784 1 2 . 1 1 65 65 ALA H H 65 7.290 7.290 7.165 0.125 18916 785 1 2 . 1 1 66 66 ASN N N 66 112.567 112.567 114.485 -1.918 18916 786 1 2 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.455 0.150 18916 787 1 2 . 1 1 66 66 ASN C C 66 174.374 174.374 175.051 -0.677 18916 788 1 2 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.855 -1.500 18916 789 1 2 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.745 -0.826 18916 790 1 2 . 1 1 66 66 ASN H H 66 8.602 8.602 8.178 0.424 18916 791 1 2 . 1 1 67 67 TYR N N 67 118.682 118.682 118.179 0.503 18916 792 1 2 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.409 0.119 18916 793 1 2 . 1 1 67 67 TYR C C 67 175.072 175.072 175.480 -0.408 18916 794 1 2 . 1 1 67 67 TYR CA C 67 56.641 56.641 56.966 -0.325 18916 795 1 2 . 1 1 67 67 TYR CB C 67 40.822 40.822 40.429 0.392 18916 796 1 2 . 1 1 67 67 TYR H H 67 7.873 7.873 7.403 0.470 18916 797 1 2 . 1 1 68 68 LYS N N 68 121.419 121.419 121.812 -0.393 18916 798 1 2 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.235 -0.435 18916 799 1 2 . 1 1 68 68 LYS C C 68 174.491 174.491 175.255 -0.764 18916 800 1 2 . 1 1 68 68 LYS CA C 68 56.246 56.246 54.696 1.550 18916 801 1 2 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.255 2.409 18916 802 1 2 . 1 1 68 68 LYS H H 68 7.771 7.771 8.319 -0.548 18916 803 1 2 . 1 1 69 69 VAL N N 69 126.113 126.113 124.649 1.464 18916 804 1 2 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.780 0.402 18916 805 1 2 . 1 1 69 69 VAL C C 69 176.365 176.365 176.665 -0.300 18916 806 1 2 . 1 1 69 69 VAL CA C 69 60.879 60.879 62.484 -1.605 18916 807 1 2 . 1 1 69 69 VAL CB C 69 32.355 32.355 31.855 0.500 18916 808 1 2 . 1 1 69 69 VAL H H 69 8.384 8.384 8.110 0.274 18916 809 1 2 . 1 1 70 70 VAL N N 70 120.358 120.358 122.235 -1.877 18916 810 1 2 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.043 0.334 18916 811 1 2 . 1 1 70 70 VAL C C 70 174.040 174.040 174.816 -0.776 18916 812 1 2 . 1 1 70 70 VAL CA C 70 57.849 57.849 59.526 -1.677 18916 813 1 2 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.560 1.193 18916 814 1 2 . 1 1 70 70 VAL H H 70 9.390 9.390 9.076 0.314 18916 815 1 2 . 1 1 71 71 SER N N 71 114.634 114.634 115.811 -1.177 18916 816 1 2 . 1 1 71 71 SER HA H 71 5.630 5.630 5.625 0.005 18916 817 1 2 . 1 1 71 71 SER CA C 71 60.584 60.584 55.394 5.190 18916 818 1 2 . 1 1 71 71 SER CB C 71 60.367 60.367 62.870 -2.503 18916 819 1 2 . 1 1 71 71 SER H H 71 8.354 8.354 8.143 0.211 18916 820 1 2 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.268 -0.132 18916 821 1 2 . 1 1 72 72 PRO C C 72 177.193 177.193 177.626 -0.433 18916 822 1 2 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.597 -0.535 18916 823 1 2 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.809 0.530 18916 824 1 2 . 1 1 73 73 ASP N N 73 115.868 115.868 117.032 -1.164 18916 825 1 2 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.341 -0.139 18916 826 1 2 . 1 1 73 73 ASP C C 73 175.450 175.450 177.762 -2.312 18916 827 1 2 . 1 1 73 73 ASP CA C 73 56.426 56.426 57.793 -1.367 18916 828 1 2 . 1 1 73 73 ASP CB C 73 39.355 39.355 40.019 -0.664 18916 829 1 2 . 1 1 73 73 ASP H H 73 8.427 8.427 8.511 -0.084 18916 830 1 2 . 1 1 74 74 TRP N N 74 121.252 121.252 122.004 -0.752 18916 831 1 2 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.392 -0.774 18916 832 1 2 . 1 1 74 74 TRP C C 74 178.472 178.472 177.045 1.427 18916 833 1 2 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.617 -0.602 18916 834 1 2 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.342 -0.612 18916 835 1 2 . 1 1 74 74 TRP H H 74 7.833 7.833 7.497 0.336 18916 836 1 2 . 1 1 75 75 ILE N N 75 116.185 116.185 118.527 -2.342 18916 837 1 2 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.403 -0.159 18916 838 1 2 . 1 1 75 75 ILE C C 75 176.728 176.728 177.832 -1.104 18916 839 1 2 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.660 -1.765 18916 840 1 2 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.326 -0.105 18916 841 1 2 . 1 1 75 75 ILE H H 75 6.969 6.969 7.358 -0.389 18916 842 1 2 . 1 1 76 76 VAL N N 76 117.042 117.042 119.946 -2.904 18916 843 1 2 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.402 -0.206 18916 844 1 2 . 1 1 76 76 VAL C C 76 178.675 178.675 177.944 0.731 18916 845 1 2 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.080 -0.135 18916 846 1 2 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.334 1.311 18916 847 1 2 . 1 1 76 76 VAL H H 76 7.056 7.056 7.816 -0.759 18916 848 1 2 . 1 1 77 77 ASP N N 77 120.009 120.009 119.371 0.638 18916 849 1 2 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.385 -0.081 18916 850 1 2 . 1 1 77 77 ASP C C 77 178.515 178.515 178.476 0.039 18916 851 1 2 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.676 -0.678 18916 852 1 2 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.399 -1.549 18916 853 1 2 . 1 1 77 77 ASP H H 77 9.171 9.171 7.886 1.285 18916 854 1 2 . 1 1 78 78 SER N N 78 117.973 117.973 116.534 1.439 18916 855 1 2 . 1 1 78 78 SER HA H 78 4.391 4.391 4.176 0.215 18916 856 1 2 . 1 1 78 78 SER C C 78 175.290 175.290 176.073 -0.783 18916 857 1 2 . 1 1 78 78 SER CA C 78 62.948 62.948 61.506 1.442 18916 858 1 2 . 1 1 78 78 SER CB C 78 63.080 63.080 62.940 0.140 18916 859 1 2 . 1 1 78 78 SER H H 78 7.056 7.056 7.406 -0.350 18916 860 1 2 . 1 1 79 79 VAL N N 79 119.889 119.889 121.023 -1.134 18916 861 1 2 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.201 -0.293 18916 862 1 2 . 1 1 79 79 VAL C C 79 179.169 179.169 177.369 1.800 18916 863 1 2 . 1 1 79 79 VAL CA C 79 66.864 66.864 66.249 0.615 18916 864 1 2 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.459 -0.629 18916 865 1 2 . 1 1 79 79 VAL H H 79 7.596 7.596 7.582 0.014 18916 866 1 2 . 1 1 80 80 LYS N N 80 121.062 121.062 118.082 2.980 18916 867 1 2 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.060 -0.170 18916 868 1 2 . 1 1 80 80 LYS C C 80 178.806 178.806 178.217 0.589 18916 869 1 2 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.524 1.255 18916 870 1 2 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.477 -0.146 18916 871 1 2 . 1 1 80 80 LYS H H 80 7.946 7.946 7.573 0.373 18916 872 1 2 . 1 1 81 81 GLU N N 81 115.870 115.870 116.366 -0.496 18916 873 1 2 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.369 -0.241 18916 874 1 2 . 1 1 81 81 GLU C C 81 174.912 174.912 176.110 -1.198 18916 875 1 2 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.677 0.793 18916 876 1 2 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.752 -0.139 18916 877 1 2 . 1 1 81 81 GLU H H 81 8.063 8.063 7.788 0.275 18916 878 1 2 . 1 1 82 82 ALA N N 82 122.380 122.380 120.763 1.617 18916 879 1 2 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.979 -0.271 18916 880 1 2 . 1 1 82 82 ALA C C 82 175.711 175.711 176.187 -0.476 18916 881 1 2 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.246 -0.785 18916 882 1 2 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.233 -0.652 18916 883 1 2 . 1 1 82 82 ALA H H 82 7.931 7.931 7.586 0.345 18916 884 1 2 . 1 1 83 83 ARG N N 83 115.619 115.619 114.546 1.073 18916 885 1 2 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.568 -0.378 18916 886 1 2 . 1 1 83 83 ARG C C 83 172.050 172.050 173.344 -1.294 18916 887 1 2 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.803 1.359 18916 888 1 2 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.602 -0.247 18916 889 1 2 . 1 1 83 83 ARG H H 83 8.165 8.165 7.455 0.710 18916 890 1 2 . 1 1 84 84 LEU N N 84 120.648 120.648 123.412 -2.764 18916 891 1 2 . 1 1 84 84 LEU HA H 84 3.716 3.716 3.993 -0.277 18916 892 1 2 . 1 1 84 84 LEU C C 84 176.917 176.917 176.031 0.886 18916 893 1 2 . 1 1 84 84 LEU CA C 84 54.985 54.985 54.608 0.377 18916 894 1 2 . 1 1 84 84 LEU CB C 84 41.311 41.311 41.678 -0.367 18916 895 1 2 . 1 1 84 84 LEU H H 84 8.325 8.325 8.364 -0.039 18916 896 1 2 . 1 1 85 85 LEU N N 85 132.955 132.955 129.253 3.702 18916 897 1 2 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.814 -0.217 18916 898 1 2 . 1 1 85 85 LEU CA C 85 53.648 53.648 52.230 1.418 18916 899 1 2 . 1 1 85 85 LEU CB C 85 40.363 40.363 42.116 -1.753 18916 900 1 2 . 1 1 85 85 LEU H H 85 7.946 7.946 8.252 -0.306 18916 901 1 2 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.613 -0.028 18916 902 1 2 . 1 1 86 86 PRO C C 86 178.835 178.835 178.186 0.649 18916 903 1 2 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.463 0.312 18916 904 1 2 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.936 -0.387 18916 905 1 2 . 1 1 87 87 TRP N N 87 128.323 128.323 126.083 2.240 18916 906 1 2 . 1 1 87 87 TRP HA H 87 3.635 3.635 4.116 -0.481 18916 907 1 2 . 1 1 87 87 TRP C C 87 177.963 177.963 176.980 0.983 18916 908 1 2 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.930 -0.377 18916 909 1 2 . 1 1 87 87 TRP CB C 87 26.961 26.961 28.002 -1.041 18916 910 1 2 . 1 1 87 87 TRP H H 87 8.369 8.369 8.658 -0.289 18916 911 1 2 . 1 1 88 88 GLN N N 88 120.928 120.928 118.652 2.276 18916 912 1 2 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.287 -0.382 18916 913 1 2 . 1 1 88 88 GLN C C 88 178.196 178.196 177.943 0.253 18916 914 1 2 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.831 2.091 18916 915 1 2 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.086 -0.626 18916 916 1 2 . 1 1 88 88 GLN H H 88 8.354 8.354 7.869 0.485 18916 917 1 2 . 1 1 89 89 ASN N N 89 116.452 116.452 118.139 -1.687 18916 918 1 2 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.417 -0.118 18916 919 1 2 . 1 1 89 89 ASN C C 89 174.752 174.752 175.719 -0.967 18916 920 1 2 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.550 -0.418 18916 921 1 2 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.382 -1.021 18916 922 1 2 . 1 1 89 89 ASN H H 89 7.304 7.304 7.642 -0.338 18916 923 1 2 . 1 1 90 90 TYR N N 90 118.336 118.336 115.143 3.193 18916 924 1 2 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.693 -0.079 18916 925 1 2 . 1 1 90 90 TYR C C 90 174.534 174.534 174.679 -0.145 18916 926 1 2 . 1 1 90 90 TYR CA C 90 57.534 57.534 56.445 1.089 18916 927 1 2 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.852 1.301 18916 928 1 2 . 1 1 90 90 TYR H H 90 8.048 8.048 7.554 0.494 18916 929 1 2 . 1 1 91 91 SER N N 91 114.053 114.053 116.890 -2.837 18916 930 1 2 . 1 1 91 91 SER HA H 91 5.015 5.015 4.779 0.236 18916 931 1 2 . 1 1 91 91 SER C C 91 176.205 176.205 175.134 1.071 18916 932 1 2 . 1 1 91 91 SER CA C 91 58.037 58.037 59.197 -1.160 18916 933 1 2 . 1 1 91 91 SER CB C 91 64.342 64.342 63.303 1.040 18916 934 1 2 . 1 1 91 91 SER H H 91 7.012 7.012 7.371 -0.359 18916 935 1 2 . 1 1 92 92 LEU N N 92 126.106 126.106 128.840 -2.734 18916 936 1 2 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.792 -0.187 18916 937 1 2 . 1 1 92 92 LEU C C 92 177.687 177.687 177.534 0.153 18916 938 1 2 . 1 1 92 92 LEU CA C 92 55.405 55.405 53.952 1.453 18916 939 1 2 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.953 0.934 18916 940 1 2 . 1 1 92 92 LEU H H 92 8.777 8.777 8.599 0.178 18916 941 1 2 . 1 1 93 93 THR N N 93 112.458 112.458 112.173 0.285 18916 942 1 2 . 1 1 93 93 THR HA H 93 4.489 4.489 4.193 0.296 18916 943 1 2 . 1 1 93 93 THR C C 93 173.851 173.851 174.968 -1.117 18916 944 1 2 . 1 1 93 93 THR CA C 93 61.318 61.318 64.226 -2.908 18916 945 1 2 . 1 1 93 93 THR CB C 93 69.853 69.853 69.736 0.117 18916 946 1 2 . 1 1 93 93 THR H H 93 8.252 8.252 7.647 0.605 18916 947 1 3 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.715 -0.933 18916 948 1 3 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.344 1.534 18916 949 1 3 . 1 1 4 4 GLN CB C 4 29.441 29.441 29.745 -0.304 18916 950 1 3 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.598 -0.044 18916 951 1 3 . 1 1 7 7 LYS C C 7 178.298 178.298 177.549 0.749 18916 952 1 3 . 1 1 7 7 LYS CA C 7 54.750 54.750 56.346 -1.596 18916 953 1 3 . 1 1 7 7 LYS CB C 7 32.593 32.593 32.113 0.480 18916 954 1 3 . 1 1 8 8 ILE N N 8 119.676 119.676 121.693 -2.017 18916 955 1 3 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.730 -0.146 18916 956 1 3 . 1 1 8 8 ILE C C 8 177.164 177.164 176.519 0.645 18916 957 1 3 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.224 1.688 18916 958 1 3 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.871 1.103 18916 959 1 3 . 1 1 8 8 ILE H H 8 7.633 7.633 7.650 -0.017 18916 960 1 3 . 1 1 9 9 PHE N N 9 113.639 113.639 113.346 0.293 18916 961 1 3 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.789 0.123 18916 962 1 3 . 1 1 9 9 PHE C C 9 174.520 174.520 176.273 -1.753 18916 963 1 3 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.652 0.387 18916 964 1 3 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.664 -0.950 18916 965 1 3 . 1 1 9 9 PHE H H 9 8.403 8.403 7.534 0.869 18916 966 1 3 . 1 1 10 10 LYS N N 10 120.104 120.104 122.447 -2.343 18916 967 1 3 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.176 -0.033 18916 968 1 3 . 1 1 10 10 LYS C C 10 177.600 177.600 177.294 0.306 18916 969 1 3 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.966 -0.458 18916 970 1 3 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.304 0.136 18916 971 1 3 . 1 1 10 10 LYS H H 10 7.328 7.328 7.406 -0.078 18916 972 1 3 . 1 1 11 11 ASN N N 11 116.960 116.960 114.902 2.058 18916 973 1 3 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.766 -0.221 18916 974 1 3 . 1 1 11 11 ASN C C 11 175.566 175.566 174.365 1.201 18916 975 1 3 . 1 1 11 11 ASN CA C 11 55.479 55.479 52.648 2.831 18916 976 1 3 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.267 -0.739 18916 977 1 3 . 1 1 11 11 ASN H H 11 8.984 8.984 8.470 0.514 18916 978 1 3 . 1 1 12 12 CYS N N 12 118.344 118.344 120.203 -1.859 18916 979 1 3 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.754 0.372 18916 980 1 3 . 1 1 12 12 CYS C C 12 175.014 175.014 172.985 2.029 18916 981 1 3 . 1 1 12 12 CYS CA C 12 59.549 59.549 57.857 1.692 18916 982 1 3 . 1 1 12 12 CYS CB C 12 29.319 29.319 29.465 -0.146 18916 983 1 3 . 1 1 12 12 CYS H H 12 8.460 8.460 7.819 0.641 18916 984 1 3 . 1 1 13 13 VAL N N 13 128.765 128.765 128.047 0.718 18916 985 1 3 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.286 0.103 18916 986 1 3 . 1 1 13 13 VAL C C 13 174.912 174.912 174.379 0.533 18916 987 1 3 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.693 0.601 18916 988 1 3 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.975 0.493 18916 989 1 3 . 1 1 13 13 VAL H H 13 9.878 9.878 8.742 1.136 18916 990 1 3 . 1 1 14 14 ILE N N 14 128.270 128.270 126.444 1.826 18916 991 1 3 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.198 0.002 18916 992 1 3 . 1 1 14 14 ILE C C 14 174.098 174.098 174.881 -0.783 18916 993 1 3 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.606 0.698 18916 994 1 3 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.745 0.799 18916 995 1 3 . 1 1 14 14 ILE H H 14 8.841 8.841 8.357 0.484 18916 996 1 3 . 1 1 15 15 TYR N N 15 125.475 125.475 128.002 -2.527 18916 997 1 3 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.449 -0.340 18916 998 1 3 . 1 1 15 15 TYR C C 15 173.023 173.023 173.877 -0.854 18916 999 1 3 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.563 0.323 18916 1000 1 3 . 1 1 15 15 TYR CB C 15 42.813 42.813 42.239 0.574 18916 1001 1 3 . 1 1 15 15 TYR H H 15 8.023 8.023 9.063 -1.040 18916 1002 1 3 . 1 1 16 16 ILE N N 16 128.262 128.262 123.883 4.379 18916 1003 1 3 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.158 0.209 18916 1004 1 3 . 1 1 16 16 ILE C C 16 173.895 173.895 173.205 0.690 18916 1005 1 3 . 1 1 16 16 ILE CA C 16 59.688 59.688 59.792 -0.104 18916 1006 1 3 . 1 1 16 16 ILE CB C 16 36.912 36.912 40.345 -3.433 18916 1007 1 3 . 1 1 16 16 ILE H H 16 8.708 8.708 8.012 0.696 18916 1008 1 3 . 1 1 17 17 ASN N N 17 126.842 126.842 122.369 4.473 18916 1009 1 3 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.754 -0.093 18916 1010 1 3 . 1 1 17 17 ASN C C 17 174.171 174.171 174.193 -0.022 18916 1011 1 3 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.686 1.201 18916 1012 1 3 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.522 1.422 18916 1013 1 3 . 1 1 17 17 ASN H H 17 8.974 8.974 8.438 0.536 18916 1014 1 3 . 1 1 18 18 GLY N N 18 113.508 113.508 111.937 1.571 18916 1015 1 3 . 1 1 18 18 GLY C C 18 172.529 172.529 173.487 -0.958 18916 1016 1 3 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.827 0.358 18916 1017 1 3 . 1 1 18 18 GLY H H 18 8.727 8.727 8.179 0.548 18916 1018 1 3 . 1 1 19 19 TYR N N 19 121.021 121.021 121.502 -0.481 18916 1019 1 3 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.629 -0.179 18916 1020 1 3 . 1 1 19 19 TYR C C 19 176.147 176.147 175.081 1.066 18916 1021 1 3 . 1 1 19 19 TYR CA C 19 58.982 58.982 57.743 1.239 18916 1022 1 3 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.721 -0.020 18916 1023 1 3 . 1 1 19 19 TYR H H 19 8.651 8.651 8.264 0.387 18916 1024 1 3 . 1 1 20 20 THR N N 20 117.677 117.677 115.991 1.686 18916 1025 1 3 . 1 1 20 20 THR HA H 20 4.279 4.279 4.577 -0.298 18916 1026 1 3 . 1 1 20 20 THR C C 20 171.803 171.803 173.786 -1.983 18916 1027 1 3 . 1 1 20 20 THR CA C 20 59.986 59.986 60.148 -0.161 18916 1028 1 3 . 1 1 20 20 THR CB C 20 73.362 73.362 70.989 2.373 18916 1029 1 3 . 1 1 20 20 THR H H 20 7.242 7.242 8.240 -0.998 18916 1030 1 3 . 1 1 21 21 LYS N N 21 120.592 120.592 124.197 -3.605 18916 1031 1 3 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.703 -0.656 18916 1032 1 3 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.823 1.207 18916 1033 1 3 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.007 2.819 18916 1034 1 3 . 1 1 21 21 LYS H H 21 7.718 7.718 8.472 -0.754 18916 1035 1 3 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.476 0.114 18916 1036 1 3 . 1 1 22 22 PRO C C 22 175.043 175.043 176.866 -1.823 18916 1037 1 3 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.298 0.650 18916 1038 1 3 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.647 1.893 18916 1039 1 3 . 1 1 23 23 GLY N N 23 105.352 105.352 106.346 -0.994 18916 1040 1 3 . 1 1 23 23 GLY C C 23 172.762 172.762 175.900 -3.138 18916 1041 1 3 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.588 0.292 18916 1042 1 3 . 1 1 23 23 GLY H H 23 8.356 8.356 8.546 -0.190 18916 1043 1 3 . 1 1 24 24 ARG N N 24 119.274 119.274 123.130 -3.856 18916 1044 1 3 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.672 -0.397 18916 1045 1 3 . 1 1 24 24 ARG C C 24 176.263 176.263 178.090 -1.827 18916 1046 1 3 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.778 1.142 18916 1047 1 3 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.508 0.824 18916 1048 1 3 . 1 1 24 24 ARG H H 24 7.813 7.813 8.682 -0.869 18916 1049 1 3 . 1 1 25 25 LEU N N 25 116.403 116.403 115.939 0.464 18916 1050 1 3 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.088 -0.398 18916 1051 1 3 . 1 1 25 25 LEU C C 25 179.562 179.562 178.725 0.837 18916 1052 1 3 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.713 0.678 18916 1053 1 3 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.868 -0.024 18916 1054 1 3 . 1 1 25 25 LEU H H 25 8.156 8.156 7.907 0.249 18916 1055 1 3 . 1 1 26 26 GLN N N 26 118.294 118.294 118.859 -0.565 18916 1056 1 3 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.355 -0.389 18916 1057 1 3 . 1 1 26 26 GLN C C 26 179.358 179.358 178.618 0.740 18916 1058 1 3 . 1 1 26 26 GLN CA C 26 59.322 59.322 57.877 1.445 18916 1059 1 3 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.517 -0.460 18916 1060 1 3 . 1 1 26 26 GLN H H 26 7.423 7.423 7.594 -0.171 18916 1061 1 3 . 1 1 27 27 LEU N N 27 119.419 119.419 120.135 -0.716 18916 1062 1 3 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.711 0.217 18916 1063 1 3 . 1 1 27 27 LEU C C 27 178.777 178.777 178.853 -0.076 18916 1064 1 3 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.439 -0.415 18916 1065 1 3 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.730 0.161 18916 1066 1 3 . 1 1 27 27 LEU H H 27 8.127 8.127 8.262 -0.135 18916 1067 1 3 . 1 1 28 28 HIS N N 28 118.332 118.332 117.380 0.952 18916 1068 1 3 . 1 1 28 28 HIS HA H 28 3.742 3.742 4.089 -0.347 18916 1069 1 3 . 1 1 28 28 HIS C C 28 177.121 177.121 177.717 -0.596 18916 1070 1 3 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.102 -1.304 18916 1071 1 3 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.791 -0.350 18916 1072 1 3 . 1 1 28 28 HIS H H 28 8.727 8.727 7.760 0.967 18916 1073 1 3 . 1 1 29 29 GLU N N 29 116.699 116.699 120.351 -3.652 18916 1074 1 3 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.951 0.027 18916 1075 1 3 . 1 1 29 29 GLU C C 29 178.951 178.951 179.049 -0.098 18916 1076 1 3 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.301 -0.025 18916 1077 1 3 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.540 0.144 18916 1078 1 3 . 1 1 29 29 GLU H H 29 7.518 7.518 7.814 -0.296 18916 1079 1 3 . 1 1 30 30 MET N N 30 118.090 118.090 117.577 0.513 18916 1080 1 3 . 1 1 30 30 MET HA H 30 4.055 4.055 4.245 -0.190 18916 1081 1 3 . 1 1 30 30 MET C C 30 177.992 177.992 178.944 -0.952 18916 1082 1 3 . 1 1 30 30 MET CA C 30 60.040 60.040 57.361 2.679 18916 1083 1 3 . 1 1 30 30 MET CB C 30 34.522 34.522 31.909 2.613 18916 1084 1 3 . 1 1 30 30 MET H H 30 7.766 7.766 8.023 -0.257 18916 1085 1 3 . 1 1 31 31 ILE N N 31 118.458 118.458 119.505 -1.047 18916 1086 1 3 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.279 -0.027 18916 1087 1 3 . 1 1 31 31 ILE C C 31 178.007 178.007 178.215 -0.208 18916 1088 1 3 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.250 -0.359 18916 1089 1 3 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.577 0.605 18916 1090 1 3 . 1 1 31 31 ILE H H 31 8.337 8.337 7.828 0.509 18916 1091 1 3 . 1 1 32 32 VAL N N 32 117.878 117.878 120.585 -2.707 18916 1092 1 3 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.064 -0.061 18916 1093 1 3 . 1 1 32 32 VAL C C 32 180.884 180.884 179.009 1.875 18916 1094 1 3 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.991 -0.615 18916 1095 1 3 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.907 0.090 18916 1096 1 3 . 1 1 32 32 VAL H H 32 7.888 7.888 7.948 -0.060 18916 1097 1 3 . 1 1 33 33 LEU N N 33 123.609 123.609 117.537 6.072 18916 1098 1 3 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.096 -0.023 18916 1099 1 3 . 1 1 33 33 LEU C C 33 177.498 177.498 177.131 0.367 18916 1100 1 3 . 1 1 33 33 LEU CA C 33 57.662 57.662 56.850 0.812 18916 1101 1 3 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.697 1.593 18916 1102 1 3 . 1 1 33 33 LEU H H 33 8.281 8.281 7.970 0.311 18916 1103 1 3 . 1 1 34 34 HIS N N 34 113.272 113.272 114.801 -1.529 18916 1104 1 3 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.780 -0.065 18916 1105 1 3 . 1 1 34 34 HIS C C 34 175.464 175.464 175.496 -0.032 18916 1106 1 3 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.748 0.648 18916 1107 1 3 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.876 -0.108 18916 1108 1 3 . 1 1 34 34 HIS H H 34 7.319 7.319 7.578 -0.259 18916 1109 1 3 . 1 1 35 35 GLY N N 35 104.307 104.307 107.023 -2.716 18916 1110 1 3 . 1 1 35 35 GLY C C 35 174.985 174.985 174.666 0.319 18916 1111 1 3 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.218 2.096 18916 1112 1 3 . 1 1 35 35 GLY H H 35 7.392 7.392 8.181 -0.789 18916 1113 1 3 . 1 1 36 36 GLY N N 36 108.630 108.630 108.623 0.007 18916 1114 1 3 . 1 1 36 36 GLY C C 36 171.701 171.701 173.525 -1.824 18916 1115 1 3 . 1 1 36 36 GLY CA C 36 44.392 44.392 44.068 0.324 18916 1116 1 3 . 1 1 36 36 GLY H H 36 8.763 8.763 8.223 0.540 18916 1117 1 3 . 1 1 37 37 LYS N N 37 115.119 115.119 118.617 -3.498 18916 1118 1 3 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.753 -0.139 18916 1119 1 3 . 1 1 37 37 LYS C C 37 174.302 174.302 175.681 -1.379 18916 1120 1 3 . 1 1 37 37 LYS CA C 37 54.319 54.319 53.631 0.688 18916 1121 1 3 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.598 0.652 18916 1122 1 3 . 1 1 37 37 LYS H H 37 7.406 7.406 8.137 -0.731 18916 1123 1 3 . 1 1 38 38 PHE N N 38 117.196 117.196 117.262 -0.066 18916 1124 1 3 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.607 0.281 18916 1125 1 3 . 1 1 38 38 PHE C C 38 173.604 173.604 174.150 -0.546 18916 1126 1 3 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.202 -0.349 18916 1127 1 3 . 1 1 38 38 PHE CB C 38 43.379 43.379 41.657 1.722 18916 1128 1 3 . 1 1 38 38 PHE H H 38 7.844 7.844 7.600 0.244 18916 1129 1 3 . 1 1 39 39 LEU N N 39 119.576 119.576 122.653 -3.077 18916 1130 1 3 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.684 -0.080 18916 1131 1 3 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.723 -1.062 18916 1132 1 3 . 1 1 39 39 LEU CB C 39 45.901 45.901 46.028 -0.127 18916 1133 1 3 . 1 1 39 39 LEU H H 39 8.223 8.223 8.436 -0.213 18916 1134 1 3 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.682 -0.043 18916 1135 1 3 . 1 1 40 40 HIS C C 40 174.694 174.694 174.560 0.134 18916 1136 1 3 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.404 1.266 18916 1137 1 3 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.871 1.019 18916 1138 1 3 . 1 1 41 41 TYR N N 41 115.005 115.005 117.090 -2.085 18916 1139 1 3 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.554 0.106 18916 1140 1 3 . 1 1 41 41 TYR C C 41 173.023 173.023 173.746 -0.723 18916 1141 1 3 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.492 -1.594 18916 1142 1 3 . 1 1 41 41 TYR CB C 41 40.313 40.313 41.060 -0.747 18916 1143 1 3 . 1 1 41 41 TYR H H 41 7.363 7.363 8.047 -0.684 18916 1144 1 3 . 1 1 42 42 LEU N N 42 121.687 121.687 126.705 -5.018 18916 1145 1 3 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.204 -0.316 18916 1146 1 3 . 1 1 42 42 LEU CA C 42 54.041 54.041 54.524 -0.483 18916 1147 1 3 . 1 1 42 42 LEU CB C 42 41.096 41.096 39.692 1.404 18916 1148 1 3 . 1 1 42 42 LEU H H 42 8.252 8.252 7.741 0.511 18916 1149 1 3 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.122 0.112 18916 1150 1 3 . 1 1 46 46 LYS CA C 46 56.885 56.885 58.053 -1.168 18916 1151 1 3 . 1 1 46 46 LYS CB C 46 32.542 32.542 30.435 2.107 18916 1152 1 3 . 1 1 47 47 THR HA H 47 4.168 4.168 4.148 0.020 18916 1153 1 3 . 1 1 47 47 THR C C 47 174.186 174.186 173.889 0.297 18916 1154 1 3 . 1 1 47 47 THR CA C 47 62.706 62.706 63.263 -0.557 18916 1155 1 3 . 1 1 47 47 THR CB C 47 69.762 69.762 69.592 0.170 18916 1156 1 3 . 1 1 48 48 VAL N N 48 123.218 123.218 118.674 4.544 18916 1157 1 3 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.309 -0.466 18916 1158 1 3 . 1 1 48 48 VAL C C 48 174.985 174.985 174.367 0.618 18916 1159 1 3 . 1 1 48 48 VAL CA C 48 62.146 62.146 60.408 1.738 18916 1160 1 3 . 1 1 48 48 VAL CB C 48 33.167 33.167 35.127 -1.960 18916 1161 1 3 . 1 1 48 48 VAL H H 48 7.771 7.771 7.083 0.688 18916 1162 1 3 . 1 1 49 49 THR N N 49 116.982 116.982 117.319 -0.337 18916 1163 1 3 . 1 1 49 49 THR HA H 49 4.319 4.319 4.543 -0.224 18916 1164 1 3 . 1 1 49 49 THR C C 49 176.118 176.118 173.494 2.624 18916 1165 1 3 . 1 1 49 49 THR CA C 49 62.831 62.831 61.570 1.261 18916 1166 1 3 . 1 1 49 49 THR CB C 49 69.114 69.114 69.978 -0.864 18916 1167 1 3 . 1 1 49 49 THR H H 49 9.798 9.798 8.187 1.611 18916 1168 1 3 . 1 1 50 50 HIS N N 50 121.799 121.799 119.939 1.860 18916 1169 1 3 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.325 -0.409 18916 1170 1 3 . 1 1 50 50 HIS C C 50 172.849 172.849 173.128 -0.279 18916 1171 1 3 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.890 1.764 18916 1172 1 3 . 1 1 50 50 HIS CB C 50 34.649 34.649 33.188 1.460 18916 1173 1 3 . 1 1 50 50 HIS H H 50 7.596 7.596 7.883 -0.287 18916 1174 1 3 . 1 1 51 51 ILE N N 51 123.013 123.013 124.087 -1.074 18916 1175 1 3 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.866 0.114 18916 1176 1 3 . 1 1 51 51 ILE C C 51 174.505 174.505 175.021 -0.516 18916 1177 1 3 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.043 -1.076 18916 1178 1 3 . 1 1 51 51 ILE CB C 51 39.153 39.153 41.040 -1.887 18916 1179 1 3 . 1 1 51 51 ILE H H 51 8.996 8.996 8.310 0.686 18916 1180 1 3 . 1 1 52 52 VAL N N 52 127.413 127.413 126.728 0.685 18916 1181 1 3 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.568 0.734 18916 1182 1 3 . 1 1 52 52 VAL C C 52 174.084 174.084 174.449 -0.365 18916 1183 1 3 . 1 1 52 52 VAL CA C 52 59.207 59.207 61.683 -2.476 18916 1184 1 3 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.482 0.777 18916 1185 1 3 . 1 1 52 52 VAL H H 52 8.821 8.821 8.615 0.206 18916 1186 1 3 . 1 1 53 53 ALA N N 53 127.601 127.601 129.057 -1.456 18916 1187 1 3 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.367 -0.745 18916 1188 1 3 . 1 1 53 53 ALA C C 53 174.680 174.680 175.984 -1.304 18916 1189 1 3 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.742 0.168 18916 1190 1 3 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.953 0.207 18916 1191 1 3 . 1 1 53 53 ALA H H 53 8.967 8.967 8.626 0.341 18916 1192 1 3 . 1 1 54 54 SER N N 54 113.005 113.005 117.087 -4.082 18916 1193 1 3 . 1 1 54 54 SER HA H 54 4.657 4.657 4.400 0.257 18916 1194 1 3 . 1 1 54 54 SER C C 54 174.229 174.229 174.258 -0.029 18916 1195 1 3 . 1 1 54 54 SER CA C 54 59.671 59.671 59.986 -0.315 18916 1196 1 3 . 1 1 54 54 SER CB C 54 64.852 64.852 63.751 1.101 18916 1197 1 3 . 1 1 54 54 SER H H 54 9.303 9.303 8.890 0.413 18916 1198 1 3 . 1 1 55 55 ASN N N 55 117.475 117.475 117.859 -0.384 18916 1199 1 3 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.882 -0.281 18916 1200 1 3 . 1 1 55 55 ASN C C 55 173.052 173.052 173.130 -0.078 18916 1201 1 3 . 1 1 55 55 ASN CA C 55 53.125 53.125 53.143 -0.018 18916 1202 1 3 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.364 0.247 18916 1203 1 3 . 1 1 55 55 ASN H H 55 7.917 7.917 8.119 -0.202 18916 1204 1 3 . 1 1 56 56 LEU N N 56 122.146 122.146 124.632 -2.486 18916 1205 1 3 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.953 -0.153 18916 1206 1 3 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.675 0.230 18916 1207 1 3 . 1 1 56 56 LEU CB C 56 44.592 44.592 45.439 -0.847 18916 1208 1 3 . 1 1 56 56 LEU H H 56 8.792 8.792 8.442 0.350 18916 1209 1 3 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.578 -0.013 18916 1210 1 3 . 1 1 57 57 PRO CA C 57 62.190 62.190 63.176 -0.986 18916 1211 1 3 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.348 0.151 18916 1212 1 3 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.938 -0.018 18916 1213 1 3 . 1 1 58 58 LEU C C 58 178.806 178.806 178.818 -0.012 18916 1214 1 3 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.764 0.408 18916 1215 1 3 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.587 0.002 18916 1216 1 3 . 1 1 59 59 LYS N N 59 115.039 115.039 119.097 -4.058 18916 1217 1 3 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.016 -0.044 18916 1218 1 3 . 1 1 59 59 LYS C C 59 179.053 179.053 178.793 0.260 18916 1219 1 3 . 1 1 59 59 LYS CA C 59 59.524 59.524 59.466 0.058 18916 1220 1 3 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.919 0.492 18916 1221 1 3 . 1 1 59 59 LYS H H 59 8.763 8.763 8.401 0.362 18916 1222 1 3 . 1 1 60 60 LYS N N 60 116.433 116.433 118.414 -1.981 18916 1223 1 3 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.981 -0.021 18916 1224 1 3 . 1 1 60 60 LYS C C 60 176.874 176.874 179.238 -2.364 18916 1225 1 3 . 1 1 60 60 LYS CA C 60 55.721 55.721 57.942 -2.221 18916 1226 1 3 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.834 0.099 18916 1227 1 3 . 1 1 60 60 LYS H H 60 7.158 7.158 7.491 -0.333 18916 1228 1 3 . 1 1 61 61 ARG N N 61 120.369 120.369 119.631 0.738 18916 1229 1 3 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.148 -0.324 18916 1230 1 3 . 1 1 61 61 ARG C C 61 179.213 179.213 177.949 1.264 18916 1231 1 3 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.600 0.214 18916 1232 1 3 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.150 -0.280 18916 1233 1 3 . 1 1 61 61 ARG H H 61 7.902 7.902 7.937 -0.035 18916 1234 1 3 . 1 1 62 62 ILE N N 62 117.956 117.956 117.664 0.292 18916 1235 1 3 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.687 0.121 18916 1236 1 3 . 1 1 62 62 ILE C C 62 178.966 178.966 178.555 0.411 18916 1237 1 3 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.406 -0.244 18916 1238 1 3 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.843 0.177 18916 1239 1 3 . 1 1 62 62 ILE H H 62 7.727 7.727 7.496 0.231 18916 1240 1 3 . 1 1 63 63 GLU N N 63 121.877 121.877 120.377 1.500 18916 1241 1 3 . 1 1 63 63 GLU HA H 63 3.950 3.950 3.950 -0.000 18916 1242 1 3 . 1 1 63 63 GLU C C 63 178.792 178.792 178.196 0.596 18916 1243 1 3 . 1 1 63 63 GLU CA C 63 59.302 59.302 59.143 0.159 18916 1244 1 3 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.632 0.190 18916 1245 1 3 . 1 1 63 63 GLU H H 63 7.713 7.713 7.741 -0.028 18916 1246 1 3 . 1 1 64 64 PHE N N 64 115.684 115.684 116.272 -0.588 18916 1247 1 3 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.853 0.225 18916 1248 1 3 . 1 1 64 64 PHE C C 64 175.886 175.886 175.786 0.100 18916 1249 1 3 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.640 -1.781 18916 1250 1 3 . 1 1 64 64 PHE CB C 64 37.431 37.431 37.975 -0.544 18916 1251 1 3 . 1 1 64 64 PHE H H 64 8.077 8.077 8.011 0.066 18916 1252 1 3 . 1 1 65 65 ALA N N 65 122.616 122.616 124.185 -1.569 18916 1253 1 3 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.093 0.071 18916 1254 1 3 . 1 1 65 65 ALA C C 65 178.356 178.356 178.089 0.267 18916 1255 1 3 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.640 0.781 18916 1256 1 3 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.659 0.584 18916 1257 1 3 . 1 1 65 65 ALA H H 65 7.290 7.290 7.265 0.025 18916 1258 1 3 . 1 1 66 66 ASN N N 66 112.567 112.567 114.611 -2.044 18916 1259 1 3 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.408 0.197 18916 1260 1 3 . 1 1 66 66 ASN C C 66 174.374 174.374 175.085 -0.711 18916 1261 1 3 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.531 -1.177 18916 1262 1 3 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.598 -0.679 18916 1263 1 3 . 1 1 66 66 ASN H H 66 8.602 8.602 8.256 0.346 18916 1264 1 3 . 1 1 67 67 TYR N N 67 118.682 118.682 117.745 0.937 18916 1265 1 3 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.541 -0.013 18916 1266 1 3 . 1 1 67 67 TYR C C 67 175.072 175.072 175.744 -0.672 18916 1267 1 3 . 1 1 67 67 TYR CA C 67 56.641 56.641 56.253 0.388 18916 1268 1 3 . 1 1 67 67 TYR CB C 67 40.822 40.822 39.655 1.167 18916 1269 1 3 . 1 1 67 67 TYR H H 67 7.873 7.873 7.343 0.530 18916 1270 1 3 . 1 1 68 68 LYS N N 68 121.419 121.419 123.878 -2.459 18916 1271 1 3 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.361 -0.561 18916 1272 1 3 . 1 1 68 68 LYS C C 68 174.491 174.491 176.120 -1.629 18916 1273 1 3 . 1 1 68 68 LYS CA C 68 56.246 56.246 55.276 0.970 18916 1274 1 3 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.181 2.483 18916 1275 1 3 . 1 1 68 68 LYS H H 68 7.771 7.771 8.493 -0.722 18916 1276 1 3 . 1 1 69 69 VAL N N 69 126.113 126.113 121.048 5.065 18916 1277 1 3 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.822 0.360 18916 1278 1 3 . 1 1 69 69 VAL C C 69 176.365 176.365 175.434 0.931 18916 1279 1 3 . 1 1 69 69 VAL CA C 69 60.879 60.879 61.422 -0.543 18916 1280 1 3 . 1 1 69 69 VAL CB C 69 32.355 32.355 32.199 0.156 18916 1281 1 3 . 1 1 69 69 VAL H H 69 8.384 8.384 7.857 0.527 18916 1282 1 3 . 1 1 70 70 VAL N N 70 120.358 120.358 119.637 0.721 18916 1283 1 3 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.086 0.291 18916 1284 1 3 . 1 1 70 70 VAL C C 70 174.040 174.040 175.362 -1.322 18916 1285 1 3 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.678 -0.829 18916 1286 1 3 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.991 0.762 18916 1287 1 3 . 1 1 70 70 VAL H H 70 9.390 9.390 9.181 0.209 18916 1288 1 3 . 1 1 71 71 SER N N 71 114.634 114.634 116.585 -1.951 18916 1289 1 3 . 1 1 71 71 SER HA H 71 5.630 5.630 5.529 0.101 18916 1290 1 3 . 1 1 71 71 SER CA C 71 60.584 60.584 55.883 4.701 18916 1291 1 3 . 1 1 71 71 SER CB C 71 60.367 60.367 62.646 -2.279 18916 1292 1 3 . 1 1 71 71 SER H H 71 8.354 8.354 8.226 0.128 18916 1293 1 3 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.287 -0.151 18916 1294 1 3 . 1 1 72 72 PRO C C 72 177.193 177.193 177.852 -0.659 18916 1295 1 3 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.456 -0.394 18916 1296 1 3 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.811 0.528 18916 1297 1 3 . 1 1 73 73 ASP N N 73 115.868 115.868 118.086 -2.218 18916 1298 1 3 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.307 -0.105 18916 1299 1 3 . 1 1 73 73 ASP C C 73 175.450 175.450 177.848 -2.398 18916 1300 1 3 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.414 -1.988 18916 1301 1 3 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.872 -0.517 18916 1302 1 3 . 1 1 73 73 ASP H H 73 8.427 8.427 8.578 -0.151 18916 1303 1 3 . 1 1 74 74 TRP N N 74 121.252 121.252 121.645 -0.393 18916 1304 1 3 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.493 -0.875 18916 1305 1 3 . 1 1 74 74 TRP C C 74 178.472 178.472 177.342 1.130 18916 1306 1 3 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.404 -0.389 18916 1307 1 3 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.216 -0.486 18916 1308 1 3 . 1 1 74 74 TRP H H 74 7.833 7.833 7.521 0.312 18916 1309 1 3 . 1 1 75 75 ILE N N 75 116.185 116.185 118.404 -2.219 18916 1310 1 3 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.394 -0.150 18916 1311 1 3 . 1 1 75 75 ILE C C 75 176.728 176.728 177.879 -1.151 18916 1312 1 3 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.692 -1.797 18916 1313 1 3 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.244 -0.023 18916 1314 1 3 . 1 1 75 75 ILE H H 75 6.969 6.969 7.447 -0.478 18916 1315 1 3 . 1 1 76 76 VAL N N 76 117.042 117.042 119.395 -2.353 18916 1316 1 3 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.425 -0.229 18916 1317 1 3 . 1 1 76 76 VAL C C 76 178.675 178.675 177.847 0.828 18916 1318 1 3 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.543 -0.598 18916 1319 1 3 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.386 1.259 18916 1320 1 3 . 1 1 76 76 VAL H H 76 7.056 7.056 8.009 -0.953 18916 1321 1 3 . 1 1 77 77 ASP N N 77 120.009 120.009 118.435 1.574 18916 1322 1 3 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.367 -0.063 18916 1323 1 3 . 1 1 77 77 ASP C C 77 178.515 178.515 178.264 0.251 18916 1324 1 3 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.200 -0.202 18916 1325 1 3 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.876 -2.026 18916 1326 1 3 . 1 1 77 77 ASP H H 77 9.171 9.171 7.967 1.204 18916 1327 1 3 . 1 1 78 78 SER N N 78 117.973 117.973 116.055 1.918 18916 1328 1 3 . 1 1 78 78 SER HA H 78 4.391 4.391 4.166 0.225 18916 1329 1 3 . 1 1 78 78 SER C C 78 175.290 175.290 176.184 -0.894 18916 1330 1 3 . 1 1 78 78 SER CA C 78 62.948 62.948 62.031 0.917 18916 1331 1 3 . 1 1 78 78 SER CB C 78 63.080 63.080 62.828 0.252 18916 1332 1 3 . 1 1 78 78 SER H H 78 7.056 7.056 7.722 -0.666 18916 1333 1 3 . 1 1 79 79 VAL N N 79 119.889 119.889 121.052 -1.163 18916 1334 1 3 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.134 -0.226 18916 1335 1 3 . 1 1 79 79 VAL C C 79 179.169 179.169 177.302 1.867 18916 1336 1 3 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.846 1.018 18916 1337 1 3 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.447 -0.617 18916 1338 1 3 . 1 1 79 79 VAL H H 79 7.596 7.596 7.582 0.014 18916 1339 1 3 . 1 1 80 80 LYS N N 80 121.062 121.062 118.725 2.337 18916 1340 1 3 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.004 -0.114 18916 1341 1 3 . 1 1 80 80 LYS C C 80 178.806 178.806 178.455 0.351 18916 1342 1 3 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.782 0.997 18916 1343 1 3 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.461 -0.129 18916 1344 1 3 . 1 1 80 80 LYS H H 80 7.946 7.946 7.518 0.428 18916 1345 1 3 . 1 1 81 81 GLU N N 81 115.870 115.870 116.451 -0.581 18916 1346 1 3 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.312 -0.184 18916 1347 1 3 . 1 1 81 81 GLU C C 81 174.912 174.912 176.709 -1.797 18916 1348 1 3 . 1 1 81 81 GLU CA C 81 56.470 56.470 56.138 0.332 18916 1349 1 3 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.722 -0.109 18916 1350 1 3 . 1 1 81 81 GLU H H 81 8.063 8.063 7.853 0.210 18916 1351 1 3 . 1 1 82 82 ALA N N 82 122.380 122.380 120.712 1.668 18916 1352 1 3 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.989 -0.281 18916 1353 1 3 . 1 1 82 82 ALA C C 82 175.711 175.711 176.181 -0.470 18916 1354 1 3 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.363 -0.902 18916 1355 1 3 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.427 -0.846 18916 1356 1 3 . 1 1 82 82 ALA H H 82 7.931 7.931 7.799 0.132 18916 1357 1 3 . 1 1 83 83 ARG N N 83 115.619 115.619 116.162 -0.543 18916 1358 1 3 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.654 -0.464 18916 1359 1 3 . 1 1 83 83 ARG C C 83 172.050 172.050 174.132 -2.082 18916 1360 1 3 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.781 1.381 18916 1361 1 3 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.866 -0.511 18916 1362 1 3 . 1 1 83 83 ARG H H 83 8.165 8.165 7.529 0.636 18916 1363 1 3 . 1 1 84 84 LEU N N 84 120.648 120.648 123.050 -2.402 18916 1364 1 3 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.420 -0.704 18916 1365 1 3 . 1 1 84 84 LEU C C 84 176.917 176.917 175.594 1.323 18916 1366 1 3 . 1 1 84 84 LEU CA C 84 54.985 54.985 53.904 1.081 18916 1367 1 3 . 1 1 84 84 LEU CB C 84 41.311 41.311 41.938 -0.627 18916 1368 1 3 . 1 1 84 84 LEU H H 84 8.325 8.325 8.415 -0.090 18916 1369 1 3 . 1 1 85 85 LEU N N 85 132.955 132.955 130.192 2.763 18916 1370 1 3 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.951 -0.354 18916 1371 1 3 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.902 1.746 18916 1372 1 3 . 1 1 85 85 LEU CB C 85 40.363 40.363 42.662 -2.299 18916 1373 1 3 . 1 1 85 85 LEU H H 85 7.946 7.946 8.185 -0.239 18916 1374 1 3 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.257 0.328 18916 1375 1 3 . 1 1 86 86 PRO C C 86 178.835 178.835 177.452 1.383 18916 1376 1 3 . 1 1 86 86 PRO CA C 86 63.775 63.775 62.997 0.778 18916 1377 1 3 . 1 1 86 86 PRO CB C 86 31.549 31.549 30.911 0.638 18916 1378 1 3 . 1 1 87 87 TRP N N 87 128.323 128.323 126.896 1.427 18916 1379 1 3 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.754 -0.119 18916 1380 1 3 . 1 1 87 87 TRP C C 87 177.963 177.963 177.232 0.731 18916 1381 1 3 . 1 1 87 87 TRP CA C 87 59.553 59.553 58.879 0.674 18916 1382 1 3 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.280 -0.319 18916 1383 1 3 . 1 1 87 87 TRP H H 87 8.369 8.369 7.895 0.474 18916 1384 1 3 . 1 1 88 88 GLN N N 88 120.928 120.928 117.492 3.436 18916 1385 1 3 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.946 -1.041 18916 1386 1 3 . 1 1 88 88 GLN C C 88 178.196 178.196 176.287 1.909 18916 1387 1 3 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.992 1.930 18916 1388 1 3 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.541 -1.081 18916 1389 1 3 . 1 1 88 88 GLN H H 88 8.354 8.354 7.826 0.528 18916 1390 1 3 . 1 1 89 89 ASN N N 89 116.452 116.452 116.249 0.203 18916 1391 1 3 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.422 -0.123 18916 1392 1 3 . 1 1 89 89 ASN C C 89 174.752 174.752 176.025 -1.273 18916 1393 1 3 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.494 -0.363 18916 1394 1 3 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.611 -1.250 18916 1395 1 3 . 1 1 89 89 ASN H H 89 7.304 7.304 7.521 -0.217 18916 1396 1 3 . 1 1 90 90 TYR N N 90 118.336 118.336 116.566 1.770 18916 1397 1 3 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.536 0.078 18916 1398 1 3 . 1 1 90 90 TYR C C 90 174.534 174.534 175.476 -0.942 18916 1399 1 3 . 1 1 90 90 TYR CA C 90 57.534 57.534 57.955 -0.421 18916 1400 1 3 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.802 1.351 18916 1401 1 3 . 1 1 90 90 TYR H H 90 8.048 8.048 7.315 0.733 18916 1402 1 3 . 1 1 91 91 SER N N 91 114.053 114.053 116.746 -2.693 18916 1403 1 3 . 1 1 91 91 SER HA H 91 5.015 5.015 4.734 0.281 18916 1404 1 3 . 1 1 91 91 SER C C 91 176.205 176.205 175.480 0.725 18916 1405 1 3 . 1 1 91 91 SER CA C 91 58.037 58.037 58.757 -0.720 18916 1406 1 3 . 1 1 91 91 SER CB C 91 64.342 64.342 62.976 1.366 18916 1407 1 3 . 1 1 91 91 SER H H 91 7.012 7.012 7.611 -0.599 18916 1408 1 3 . 1 1 92 92 LEU N N 92 126.106 126.106 128.596 -2.490 18916 1409 1 3 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.479 0.126 18916 1410 1 3 . 1 1 92 92 LEU C C 92 177.687 177.687 178.392 -0.705 18916 1411 1 3 . 1 1 92 92 LEU CA C 92 55.405 55.405 55.200 0.205 18916 1412 1 3 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.030 1.857 18916 1413 1 3 . 1 1 92 92 LEU H H 92 8.777 8.777 8.432 0.345 18916 1414 1 3 . 1 1 93 93 THR N N 93 112.458 112.458 110.911 1.547 18916 1415 1 3 . 1 1 93 93 THR HA H 93 4.489 4.489 4.061 0.428 18916 1416 1 3 . 1 1 93 93 THR C C 93 173.851 173.851 174.961 -1.110 18916 1417 1 3 . 1 1 93 93 THR CA C 93 61.318 61.318 63.936 -2.618 18916 1418 1 3 . 1 1 93 93 THR CB C 93 69.853 69.853 69.350 0.503 18916 1419 1 3 . 1 1 93 93 THR H H 93 8.252 8.252 7.618 0.634 18916 1420 1 4 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.321 -0.539 18916 1421 1 4 . 1 1 4 4 GLN CA C 4 56.878 56.878 56.468 0.410 18916 1422 1 4 . 1 1 4 4 GLN CB C 4 29.441 29.441 29.476 -0.035 18916 1423 1 4 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.257 0.297 18916 1424 1 4 . 1 1 7 7 LYS C C 7 178.298 178.298 177.591 0.707 18916 1425 1 4 . 1 1 7 7 LYS CA C 7 54.750 54.750 56.457 -1.707 18916 1426 1 4 . 1 1 7 7 LYS CB C 7 32.593 32.593 31.013 1.580 18916 1427 1 4 . 1 1 8 8 ILE N N 8 119.676 119.676 121.472 -1.796 18916 1428 1 4 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.565 0.019 18916 1429 1 4 . 1 1 8 8 ILE C C 8 177.164 177.164 176.023 1.141 18916 1430 1 4 . 1 1 8 8 ILE CA C 8 65.912 65.912 63.846 2.066 18916 1431 1 4 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.737 1.237 18916 1432 1 4 . 1 1 8 8 ILE H H 8 7.633 7.633 7.774 -0.141 18916 1433 1 4 . 1 1 9 9 PHE N N 9 113.639 113.639 111.722 1.917 18916 1434 1 4 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.767 0.145 18916 1435 1 4 . 1 1 9 9 PHE C C 9 174.520 174.520 175.937 -1.417 18916 1436 1 4 . 1 1 9 9 PHE CA C 9 57.039 57.039 55.984 1.055 18916 1437 1 4 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.131 -0.417 18916 1438 1 4 . 1 1 9 9 PHE H H 9 8.403 8.403 7.603 0.800 18916 1439 1 4 . 1 1 10 10 LYS N N 10 120.104 120.104 121.458 -1.354 18916 1440 1 4 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.166 -0.023 18916 1441 1 4 . 1 1 10 10 LYS C C 10 177.600 177.600 177.343 0.257 18916 1442 1 4 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.959 -0.451 18916 1443 1 4 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.338 0.102 18916 1444 1 4 . 1 1 10 10 LYS H H 10 7.328 7.328 7.458 -0.130 18916 1445 1 4 . 1 1 11 11 ASN N N 11 116.960 116.960 112.738 4.222 18916 1446 1 4 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.728 -0.183 18916 1447 1 4 . 1 1 11 11 ASN C C 11 175.566 175.566 174.977 0.589 18916 1448 1 4 . 1 1 11 11 ASN CA C 11 55.479 55.479 53.158 2.321 18916 1449 1 4 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.381 -0.853 18916 1450 1 4 . 1 1 11 11 ASN H H 11 8.984 8.984 8.655 0.329 18916 1451 1 4 . 1 1 12 12 CYS N N 12 118.344 118.344 120.975 -2.631 18916 1452 1 4 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.752 0.374 18916 1453 1 4 . 1 1 12 12 CYS C C 12 175.014 175.014 173.705 1.309 18916 1454 1 4 . 1 1 12 12 CYS CA C 12 59.549 59.549 59.247 0.302 18916 1455 1 4 . 1 1 12 12 CYS CB C 12 29.319 29.319 29.498 -0.179 18916 1456 1 4 . 1 1 12 12 CYS H H 12 8.460 8.460 7.843 0.617 18916 1457 1 4 . 1 1 13 13 VAL N N 13 128.765 128.765 126.025 2.740 18916 1458 1 4 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.588 -0.199 18916 1459 1 4 . 1 1 13 13 VAL C C 13 174.912 174.912 174.766 0.146 18916 1460 1 4 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.613 0.681 18916 1461 1 4 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.834 0.634 18916 1462 1 4 . 1 1 13 13 VAL H H 13 9.878 9.878 9.045 0.833 18916 1463 1 4 . 1 1 14 14 ILE N N 14 128.270 128.270 127.712 0.558 18916 1464 1 4 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.015 0.185 18916 1465 1 4 . 1 1 14 14 ILE C C 14 174.098 174.098 174.573 -0.475 18916 1466 1 4 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.563 0.741 18916 1467 1 4 . 1 1 14 14 ILE CB C 14 41.544 41.544 41.077 0.467 18916 1468 1 4 . 1 1 14 14 ILE H H 14 8.841 8.841 8.915 -0.074 18916 1469 1 4 . 1 1 15 15 TYR N N 15 125.475 125.475 128.445 -2.970 18916 1470 1 4 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.294 -0.185 18916 1471 1 4 . 1 1 15 15 TYR C C 15 173.023 173.023 173.793 -0.770 18916 1472 1 4 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.713 0.173 18916 1473 1 4 . 1 1 15 15 TYR CB C 15 42.813 42.813 40.960 1.853 18916 1474 1 4 . 1 1 15 15 TYR H H 15 8.023 8.023 8.945 -0.922 18916 1475 1 4 . 1 1 16 16 ILE N N 16 128.262 128.262 128.755 -0.493 18916 1476 1 4 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.319 0.048 18916 1477 1 4 . 1 1 16 16 ILE C C 16 173.895 173.895 174.251 -0.356 18916 1478 1 4 . 1 1 16 16 ILE CA C 16 59.688 59.688 60.556 -0.868 18916 1479 1 4 . 1 1 16 16 ILE CB C 16 36.912 36.912 38.866 -1.954 18916 1480 1 4 . 1 1 16 16 ILE H H 16 8.708 8.708 8.737 -0.029 18916 1481 1 4 . 1 1 17 17 ASN N N 17 126.842 126.842 123.872 2.970 18916 1482 1 4 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.759 -0.098 18916 1483 1 4 . 1 1 17 17 ASN C C 17 174.171 174.171 174.577 -0.406 18916 1484 1 4 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.937 0.950 18916 1485 1 4 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.489 1.455 18916 1486 1 4 . 1 1 17 17 ASN H H 17 8.974 8.974 8.422 0.552 18916 1487 1 4 . 1 1 18 18 GLY N N 18 113.508 113.508 112.293 1.215 18916 1488 1 4 . 1 1 18 18 GLY C C 18 172.529 172.529 173.785 -1.256 18916 1489 1 4 . 1 1 18 18 GLY CA C 18 45.185 45.185 45.087 0.098 18916 1490 1 4 . 1 1 18 18 GLY H H 18 8.727 8.727 8.312 0.415 18916 1491 1 4 . 1 1 19 19 TYR N N 19 121.021 121.021 122.609 -1.588 18916 1492 1 4 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.567 -0.117 18916 1493 1 4 . 1 1 19 19 TYR C C 19 176.147 176.147 175.190 0.957 18916 1494 1 4 . 1 1 19 19 TYR CA C 19 58.982 58.982 58.555 0.427 18916 1495 1 4 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.633 0.068 18916 1496 1 4 . 1 1 19 19 TYR H H 19 8.651 8.651 8.714 -0.063 18916 1497 1 4 . 1 1 20 20 THR N N 20 117.677 117.677 113.411 4.266 18916 1498 1 4 . 1 1 20 20 THR HA H 20 4.279 4.279 4.618 -0.339 18916 1499 1 4 . 1 1 20 20 THR C C 20 171.803 171.803 172.506 -0.703 18916 1500 1 4 . 1 1 20 20 THR CA C 20 59.986 59.986 60.877 -0.891 18916 1501 1 4 . 1 1 20 20 THR CB C 20 73.362 73.362 71.073 2.289 18916 1502 1 4 . 1 1 20 20 THR H H 20 7.242 7.242 8.349 -1.107 18916 1503 1 4 . 1 1 21 21 LYS N N 21 120.592 120.592 125.295 -4.703 18916 1504 1 4 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.835 -0.788 18916 1505 1 4 . 1 1 21 21 LYS CA C 21 54.030 54.030 51.930 2.100 18916 1506 1 4 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.883 1.943 18916 1507 1 4 . 1 1 21 21 LYS H H 21 7.718 7.718 8.507 -0.789 18916 1508 1 4 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.435 0.155 18916 1509 1 4 . 1 1 22 22 PRO C C 22 175.043 175.043 176.768 -1.725 18916 1510 1 4 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.439 0.509 18916 1511 1 4 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.434 2.106 18916 1512 1 4 . 1 1 23 23 GLY N N 23 105.352 105.352 105.812 -0.460 18916 1513 1 4 . 1 1 23 23 GLY C C 23 172.762 172.762 176.194 -3.432 18916 1514 1 4 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.956 -0.076 18916 1515 1 4 . 1 1 23 23 GLY H H 23 8.356 8.356 8.445 -0.089 18916 1516 1 4 . 1 1 24 24 ARG N N 24 119.274 119.274 124.298 -5.024 18916 1517 1 4 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.673 -0.398 18916 1518 1 4 . 1 1 24 24 ARG C C 24 176.263 176.263 178.131 -1.868 18916 1519 1 4 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.734 1.186 18916 1520 1 4 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.462 0.869 18916 1521 1 4 . 1 1 24 24 ARG H H 24 7.813 7.813 8.760 -0.947 18916 1522 1 4 . 1 1 25 25 LEU N N 25 116.403 116.403 116.345 0.058 18916 1523 1 4 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.217 -0.527 18916 1524 1 4 . 1 1 25 25 LEU C C 25 179.562 179.562 178.926 0.636 18916 1525 1 4 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.550 0.841 18916 1526 1 4 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.826 0.018 18916 1527 1 4 . 1 1 25 25 LEU H H 25 8.156 8.156 7.966 0.190 18916 1528 1 4 . 1 1 26 26 GLN N N 26 118.294 118.294 118.729 -0.435 18916 1529 1 4 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.315 -0.349 18916 1530 1 4 . 1 1 26 26 GLN C C 26 179.358 179.358 178.583 0.775 18916 1531 1 4 . 1 1 26 26 GLN CA C 26 59.322 59.322 57.747 1.575 18916 1532 1 4 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.548 -0.491 18916 1533 1 4 . 1 1 26 26 GLN H H 26 7.423 7.423 7.715 -0.292 18916 1534 1 4 . 1 1 27 27 LEU N N 27 119.419 119.419 120.331 -0.912 18916 1535 1 4 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.695 0.233 18916 1536 1 4 . 1 1 27 27 LEU C C 27 178.777 178.777 178.975 -0.198 18916 1537 1 4 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.343 -0.320 18916 1538 1 4 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.548 0.342 18916 1539 1 4 . 1 1 27 27 LEU H H 27 8.127 8.127 7.817 0.310 18916 1540 1 4 . 1 1 28 28 HIS N N 28 118.332 118.332 117.424 0.908 18916 1541 1 4 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.933 -0.191 18916 1542 1 4 . 1 1 28 28 HIS C C 28 177.121 177.121 177.794 -0.673 18916 1543 1 4 . 1 1 28 28 HIS CA C 28 57.798 57.798 60.191 -2.393 18916 1544 1 4 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.301 0.140 18916 1545 1 4 . 1 1 28 28 HIS H H 28 8.727 8.727 8.195 0.532 18916 1546 1 4 . 1 1 29 29 GLU N N 29 116.699 116.699 119.879 -3.180 18916 1547 1 4 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.992 -0.014 18916 1548 1 4 . 1 1 29 29 GLU C C 29 178.951 178.951 179.076 -0.125 18916 1549 1 4 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.152 0.124 18916 1550 1 4 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.551 0.133 18916 1551 1 4 . 1 1 29 29 GLU H H 29 7.518 7.518 7.640 -0.122 18916 1552 1 4 . 1 1 30 30 MET N N 30 118.090 118.090 117.543 0.547 18916 1553 1 4 . 1 1 30 30 MET HA H 30 4.055 4.055 4.272 -0.217 18916 1554 1 4 . 1 1 30 30 MET C C 30 177.992 177.992 178.815 -0.823 18916 1555 1 4 . 1 1 30 30 MET CA C 30 60.040 60.040 57.262 2.778 18916 1556 1 4 . 1 1 30 30 MET CB C 30 34.522 34.522 31.646 2.876 18916 1557 1 4 . 1 1 30 30 MET H H 30 7.766 7.766 7.963 -0.197 18916 1558 1 4 . 1 1 31 31 ILE N N 31 118.458 118.458 120.088 -1.630 18916 1559 1 4 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.487 -0.235 18916 1560 1 4 . 1 1 31 31 ILE C C 31 178.007 178.007 178.266 -0.259 18916 1561 1 4 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.546 -0.655 18916 1562 1 4 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.467 0.715 18916 1563 1 4 . 1 1 31 31 ILE H H 31 8.337 8.337 8.033 0.304 18916 1564 1 4 . 1 1 32 32 VAL N N 32 117.878 117.878 120.927 -3.049 18916 1565 1 4 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.270 -0.267 18916 1566 1 4 . 1 1 32 32 VAL C C 32 180.884 180.884 178.951 1.933 18916 1567 1 4 . 1 1 32 32 VAL CA C 32 65.376 65.376 66.537 -1.161 18916 1568 1 4 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.867 0.130 18916 1569 1 4 . 1 1 32 32 VAL H H 32 7.888 7.888 8.059 -0.171 18916 1570 1 4 . 1 1 33 33 LEU N N 33 123.609 123.609 117.367 6.242 18916 1571 1 4 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.168 -0.095 18916 1572 1 4 . 1 1 33 33 LEU C C 33 177.498 177.498 177.041 0.457 18916 1573 1 4 . 1 1 33 33 LEU CA C 33 57.662 57.662 56.148 1.514 18916 1574 1 4 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.212 2.078 18916 1575 1 4 . 1 1 33 33 LEU H H 33 8.281 8.281 8.137 0.144 18916 1576 1 4 . 1 1 34 34 HIS N N 34 113.272 113.272 115.961 -2.689 18916 1577 1 4 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.930 -0.215 18916 1578 1 4 . 1 1 34 34 HIS C C 34 175.464 175.464 175.323 0.141 18916 1579 1 4 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.388 1.008 18916 1580 1 4 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.340 0.428 18916 1581 1 4 . 1 1 34 34 HIS H H 34 7.319 7.319 7.637 -0.318 18916 1582 1 4 . 1 1 35 35 GLY N N 35 104.307 104.307 106.712 -2.405 18916 1583 1 4 . 1 1 35 35 GLY C C 35 174.985 174.985 175.245 -0.260 18916 1584 1 4 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.366 1.948 18916 1585 1 4 . 1 1 35 35 GLY H H 35 7.392 7.392 8.103 -0.711 18916 1586 1 4 . 1 1 36 36 GLY N N 36 108.630 108.630 109.260 -0.630 18916 1587 1 4 . 1 1 36 36 GLY C C 36 171.701 171.701 173.553 -1.852 18916 1588 1 4 . 1 1 36 36 GLY CA C 36 44.392 44.392 44.574 -0.182 18916 1589 1 4 . 1 1 36 36 GLY H H 36 8.763 8.763 8.330 0.433 18916 1590 1 4 . 1 1 37 37 LYS N N 37 115.119 115.119 120.652 -5.533 18916 1591 1 4 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.997 -0.383 18916 1592 1 4 . 1 1 37 37 LYS C C 37 174.302 174.302 175.592 -1.290 18916 1593 1 4 . 1 1 37 37 LYS CA C 37 54.319 54.319 53.655 0.664 18916 1594 1 4 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.312 0.938 18916 1595 1 4 . 1 1 37 37 LYS H H 37 7.406 7.406 8.083 -0.677 18916 1596 1 4 . 1 1 38 38 PHE N N 38 117.196 117.196 116.132 1.064 18916 1597 1 4 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.824 0.064 18916 1598 1 4 . 1 1 38 38 PHE C C 38 173.604 173.604 174.216 -0.612 18916 1599 1 4 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.905 -1.053 18916 1600 1 4 . 1 1 38 38 PHE CB C 38 43.379 43.379 42.343 1.036 18916 1601 1 4 . 1 1 38 38 PHE H H 38 7.844 7.844 8.002 -0.158 18916 1602 1 4 . 1 1 39 39 LEU N N 39 119.576 119.576 122.970 -3.394 18916 1603 1 4 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.763 -0.159 18916 1604 1 4 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.719 -1.058 18916 1605 1 4 . 1 1 39 39 LEU CB C 39 45.901 45.901 43.538 2.363 18916 1606 1 4 . 1 1 39 39 LEU H H 39 8.223 8.223 8.440 -0.217 18916 1607 1 4 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.580 0.059 18916 1608 1 4 . 1 1 40 40 HIS C C 40 174.694 174.694 174.959 -0.265 18916 1609 1 4 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.798 0.872 18916 1610 1 4 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.415 1.475 18916 1611 1 4 . 1 1 41 41 TYR N N 41 115.005 115.005 114.197 0.808 18916 1612 1 4 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.501 0.159 18916 1613 1 4 . 1 1 41 41 TYR C C 41 173.023 173.023 173.338 -0.315 18916 1614 1 4 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.133 -1.236 18916 1615 1 4 . 1 1 41 41 TYR CB C 41 40.313 40.313 39.123 1.190 18916 1616 1 4 . 1 1 41 41 TYR H H 41 7.363 7.363 7.689 -0.326 18916 1617 1 4 . 1 1 42 42 LEU N N 42 121.687 121.687 121.315 0.372 18916 1618 1 4 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.364 -0.476 18916 1619 1 4 . 1 1 42 42 LEU CA C 42 54.041 54.041 55.584 -1.543 18916 1620 1 4 . 1 1 42 42 LEU CB C 42 41.096 41.096 41.544 -0.448 18916 1621 1 4 . 1 1 42 42 LEU H H 42 8.252 8.252 7.940 0.312 18916 1622 1 4 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.667 -0.433 18916 1623 1 4 . 1 1 46 46 LYS CA C 46 56.885 56.885 56.901 -0.016 18916 1624 1 4 . 1 1 46 46 LYS CB C 46 32.542 32.542 31.444 1.099 18916 1625 1 4 . 1 1 47 47 THR HA H 47 4.168 4.168 4.294 -0.126 18916 1626 1 4 . 1 1 47 47 THR C C 47 174.186 174.186 174.416 -0.230 18916 1627 1 4 . 1 1 47 47 THR CA C 47 62.706 62.706 62.936 -0.230 18916 1628 1 4 . 1 1 47 47 THR CB C 47 69.762 69.762 69.792 -0.030 18916 1629 1 4 . 1 1 48 48 VAL N N 48 123.218 123.218 121.141 2.077 18916 1630 1 4 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.389 -0.546 18916 1631 1 4 . 1 1 48 48 VAL C C 48 174.985 174.985 175.212 -0.227 18916 1632 1 4 . 1 1 48 48 VAL CA C 48 62.146 62.146 61.252 0.895 18916 1633 1 4 . 1 1 48 48 VAL CB C 48 33.167 33.167 33.068 0.099 18916 1634 1 4 . 1 1 48 48 VAL H H 48 7.771 7.771 7.739 0.032 18916 1635 1 4 . 1 1 49 49 THR N N 49 116.982 116.982 117.992 -1.010 18916 1636 1 4 . 1 1 49 49 THR HA H 49 4.319 4.319 4.330 -0.011 18916 1637 1 4 . 1 1 49 49 THR C C 49 176.118 176.118 173.980 2.138 18916 1638 1 4 . 1 1 49 49 THR CA C 49 62.831 62.831 61.791 1.040 18916 1639 1 4 . 1 1 49 49 THR CB C 49 69.114 69.114 70.202 -1.088 18916 1640 1 4 . 1 1 49 49 THR H H 49 9.798 9.798 8.328 1.470 18916 1641 1 4 . 1 1 50 50 HIS N N 50 121.799 121.799 119.312 2.487 18916 1642 1 4 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.261 -0.345 18916 1643 1 4 . 1 1 50 50 HIS C C 50 172.849 172.849 173.515 -0.666 18916 1644 1 4 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.874 1.780 18916 1645 1 4 . 1 1 50 50 HIS CB C 50 34.649 34.649 32.949 1.700 18916 1646 1 4 . 1 1 50 50 HIS H H 50 7.596 7.596 8.029 -0.433 18916 1647 1 4 . 1 1 51 51 ILE N N 51 123.013 123.013 123.302 -0.289 18916 1648 1 4 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.943 0.037 18916 1649 1 4 . 1 1 51 51 ILE C C 51 174.505 174.505 174.397 0.108 18916 1650 1 4 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.111 -1.144 18916 1651 1 4 . 1 1 51 51 ILE CB C 51 39.153 39.153 41.470 -2.317 18916 1652 1 4 . 1 1 51 51 ILE H H 51 8.996 8.996 8.278 0.718 18916 1653 1 4 . 1 1 52 52 VAL N N 52 127.413 127.413 126.057 1.356 18916 1654 1 4 . 1 1 52 52 VAL HA H 52 5.302 5.302 5.070 0.232 18916 1655 1 4 . 1 1 52 52 VAL C C 52 174.084 174.084 174.181 -0.097 18916 1656 1 4 . 1 1 52 52 VAL CA C 52 59.207 59.207 60.316 -1.109 18916 1657 1 4 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.971 0.288 18916 1658 1 4 . 1 1 52 52 VAL H H 52 8.821 8.821 8.672 0.149 18916 1659 1 4 . 1 1 53 53 ALA N N 53 127.601 127.601 129.804 -2.203 18916 1660 1 4 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.301 -0.679 18916 1661 1 4 . 1 1 53 53 ALA C C 53 174.680 174.680 176.326 -1.646 18916 1662 1 4 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.644 0.266 18916 1663 1 4 . 1 1 53 53 ALA CB C 53 23.160 23.160 23.221 -0.062 18916 1664 1 4 . 1 1 53 53 ALA H H 53 8.967 8.967 8.747 0.220 18916 1665 1 4 . 1 1 54 54 SER N N 54 113.005 113.005 116.117 -3.112 18916 1666 1 4 . 1 1 54 54 SER HA H 54 4.657 4.657 4.404 0.253 18916 1667 1 4 . 1 1 54 54 SER C C 54 174.229 174.229 174.311 -0.082 18916 1668 1 4 . 1 1 54 54 SER CA C 54 59.671 59.671 60.211 -0.540 18916 1669 1 4 . 1 1 54 54 SER CB C 54 64.852 64.852 64.132 0.720 18916 1670 1 4 . 1 1 54 54 SER H H 54 9.303 9.303 8.378 0.925 18916 1671 1 4 . 1 1 55 55 ASN N N 55 117.475 117.475 116.852 0.623 18916 1672 1 4 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.895 -0.294 18916 1673 1 4 . 1 1 55 55 ASN C C 55 173.052 173.052 172.956 0.096 18916 1674 1 4 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.483 0.642 18916 1675 1 4 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.479 0.131 18916 1676 1 4 . 1 1 55 55 ASN H H 55 7.917 7.917 7.937 -0.020 18916 1677 1 4 . 1 1 56 56 LEU N N 56 122.146 122.146 122.495 -0.349 18916 1678 1 4 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.917 -0.117 18916 1679 1 4 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.643 0.262 18916 1680 1 4 . 1 1 56 56 LEU CB C 56 44.592 44.592 44.955 -0.363 18916 1681 1 4 . 1 1 56 56 LEU H H 56 8.792 8.792 8.554 0.238 18916 1682 1 4 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.533 0.032 18916 1683 1 4 . 1 1 57 57 PRO CA C 57 62.190 62.190 63.077 -0.887 18916 1684 1 4 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.403 0.097 18916 1685 1 4 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.960 -0.040 18916 1686 1 4 . 1 1 58 58 LEU C C 58 178.806 178.806 178.836 -0.030 18916 1687 1 4 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.670 0.502 18916 1688 1 4 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.725 -0.136 18916 1689 1 4 . 1 1 59 59 LYS N N 59 115.039 115.039 120.083 -5.044 18916 1690 1 4 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.001 -0.029 18916 1691 1 4 . 1 1 59 59 LYS C C 59 179.053 179.053 178.342 0.711 18916 1692 1 4 . 1 1 59 59 LYS CA C 59 59.524 59.524 59.044 0.480 18916 1693 1 4 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.648 0.763 18916 1694 1 4 . 1 1 59 59 LYS H H 59 8.763 8.763 8.321 0.442 18916 1695 1 4 . 1 1 60 60 LYS N N 60 116.433 116.433 117.672 -1.239 18916 1696 1 4 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.845 0.115 18916 1697 1 4 . 1 1 60 60 LYS C C 60 176.874 176.874 179.384 -2.510 18916 1698 1 4 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.423 -2.702 18916 1699 1 4 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.840 0.093 18916 1700 1 4 . 1 1 60 60 LYS H H 60 7.158 7.158 7.472 -0.314 18916 1701 1 4 . 1 1 61 61 ARG N N 61 120.369 120.369 120.117 0.252 18916 1702 1 4 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.152 -0.328 18916 1703 1 4 . 1 1 61 61 ARG C C 61 179.213 179.213 178.189 1.024 18916 1704 1 4 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.414 0.400 18916 1705 1 4 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.238 -0.368 18916 1706 1 4 . 1 1 61 61 ARG H H 61 7.902 7.902 7.947 -0.045 18916 1707 1 4 . 1 1 62 62 ILE N N 62 117.956 117.956 118.569 -0.613 18916 1708 1 4 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.750 0.058 18916 1709 1 4 . 1 1 62 62 ILE C C 62 178.966 178.966 178.799 0.167 18916 1710 1 4 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.728 -0.566 18916 1711 1 4 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.896 0.123 18916 1712 1 4 . 1 1 62 62 ILE H H 62 7.727 7.727 7.963 -0.236 18916 1713 1 4 . 1 1 63 63 GLU N N 63 121.877 121.877 121.697 0.180 18916 1714 1 4 . 1 1 63 63 GLU HA H 63 3.950 3.950 3.995 -0.045 18916 1715 1 4 . 1 1 63 63 GLU C C 63 178.792 178.792 178.286 0.506 18916 1716 1 4 . 1 1 63 63 GLU CA C 63 59.302 59.302 59.183 0.119 18916 1717 1 4 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.620 0.202 18916 1718 1 4 . 1 1 63 63 GLU H H 63 7.713 7.713 7.826 -0.113 18916 1719 1 4 . 1 1 64 64 PHE N N 64 115.684 115.684 116.630 -0.946 18916 1720 1 4 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.808 0.270 18916 1721 1 4 . 1 1 64 64 PHE C C 64 175.886 175.886 175.100 0.786 18916 1722 1 4 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.436 -1.577 18916 1723 1 4 . 1 1 64 64 PHE CB C 64 37.431 37.431 37.495 -0.064 18916 1724 1 4 . 1 1 64 64 PHE H H 64 8.077 8.077 7.749 0.328 18916 1725 1 4 . 1 1 65 65 ALA N N 65 122.616 122.616 122.253 0.363 18916 1726 1 4 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.267 -0.103 18916 1727 1 4 . 1 1 65 65 ALA C C 65 178.356 178.356 178.334 0.022 18916 1728 1 4 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.178 1.243 18916 1729 1 4 . 1 1 65 65 ALA CB C 65 19.243 19.243 19.108 0.135 18916 1730 1 4 . 1 1 65 65 ALA H H 65 7.290 7.290 7.216 0.074 18916 1731 1 4 . 1 1 66 66 ASN N N 66 112.567 112.567 114.834 -2.267 18916 1732 1 4 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.667 -0.062 18916 1733 1 4 . 1 1 66 66 ASN C C 66 174.374 174.374 175.240 -0.866 18916 1734 1 4 . 1 1 66 66 ASN CA C 66 53.354 53.354 55.252 -1.898 18916 1735 1 4 . 1 1 66 66 ASN CB C 66 37.919 37.919 39.007 -1.088 18916 1736 1 4 . 1 1 66 66 ASN H H 66 8.602 8.602 8.528 0.074 18916 1737 1 4 . 1 1 67 67 TYR N N 67 118.682 118.682 117.888 0.794 18916 1738 1 4 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.472 0.056 18916 1739 1 4 . 1 1 67 67 TYR C C 67 175.072 175.072 176.480 -1.408 18916 1740 1 4 . 1 1 67 67 TYR CA C 67 56.641 56.641 57.810 -1.169 18916 1741 1 4 . 1 1 67 67 TYR CB C 67 40.822 40.822 39.218 1.604 18916 1742 1 4 . 1 1 67 67 TYR H H 67 7.873 7.873 7.555 0.318 18916 1743 1 4 . 1 1 68 68 LYS N N 68 121.419 121.419 123.826 -2.407 18916 1744 1 4 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.269 -0.469 18916 1745 1 4 . 1 1 68 68 LYS C C 68 174.491 174.491 175.893 -1.402 18916 1746 1 4 . 1 1 68 68 LYS CA C 68 56.246 56.246 54.952 1.294 18916 1747 1 4 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.057 2.607 18916 1748 1 4 . 1 1 68 68 LYS H H 68 7.771 7.771 8.333 -0.562 18916 1749 1 4 . 1 1 69 69 VAL N N 69 126.113 126.113 122.474 3.639 18916 1750 1 4 . 1 1 69 69 VAL HA H 69 5.182 5.182 5.106 0.076 18916 1751 1 4 . 1 1 69 69 VAL C C 69 176.365 176.365 175.623 0.742 18916 1752 1 4 . 1 1 69 69 VAL CA C 69 60.879 60.879 61.330 -0.451 18916 1753 1 4 . 1 1 69 69 VAL CB C 69 32.355 32.355 32.376 -0.021 18916 1754 1 4 . 1 1 69 69 VAL H H 69 8.384 8.384 7.815 0.569 18916 1755 1 4 . 1 1 70 70 VAL N N 70 120.358 120.358 120.706 -0.348 18916 1756 1 4 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.137 0.240 18916 1757 1 4 . 1 1 70 70 VAL C C 70 174.040 174.040 175.097 -1.057 18916 1758 1 4 . 1 1 70 70 VAL CA C 70 57.849 57.849 59.404 -1.555 18916 1759 1 4 . 1 1 70 70 VAL CB C 70 36.753 36.753 36.129 0.624 18916 1760 1 4 . 1 1 70 70 VAL H H 70 9.390 9.390 9.067 0.323 18916 1761 1 4 . 1 1 71 71 SER N N 71 114.634 114.634 116.010 -1.376 18916 1762 1 4 . 1 1 71 71 SER HA H 71 5.630 5.630 5.658 -0.028 18916 1763 1 4 . 1 1 71 71 SER CA C 71 60.584 60.584 55.753 4.831 18916 1764 1 4 . 1 1 71 71 SER CB C 71 60.367 60.367 62.528 -2.161 18916 1765 1 4 . 1 1 71 71 SER H H 71 8.354 8.354 8.280 0.074 18916 1766 1 4 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.319 -0.183 18916 1767 1 4 . 1 1 72 72 PRO C C 72 177.193 177.193 177.661 -0.468 18916 1768 1 4 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.350 -0.288 18916 1769 1 4 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.789 0.550 18916 1770 1 4 . 1 1 73 73 ASP N N 73 115.868 115.868 117.947 -2.079 18916 1771 1 4 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.301 -0.099 18916 1772 1 4 . 1 1 73 73 ASP C C 73 175.450 175.450 177.695 -2.245 18916 1773 1 4 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.461 -2.035 18916 1774 1 4 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.759 -0.404 18916 1775 1 4 . 1 1 73 73 ASP H H 73 8.427 8.427 8.576 -0.149 18916 1776 1 4 . 1 1 74 74 TRP N N 74 121.252 121.252 121.456 -0.204 18916 1777 1 4 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.460 -0.842 18916 1778 1 4 . 1 1 74 74 TRP C C 74 178.472 178.472 177.432 1.040 18916 1779 1 4 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.360 -0.345 18916 1780 1 4 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.280 -0.550 18916 1781 1 4 . 1 1 74 74 TRP H H 74 7.833 7.833 7.409 0.424 18916 1782 1 4 . 1 1 75 75 ILE N N 75 116.185 116.185 118.685 -2.500 18916 1783 1 4 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.505 -0.261 18916 1784 1 4 . 1 1 75 75 ILE C C 75 176.728 176.728 177.827 -1.099 18916 1785 1 4 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.606 -1.711 18916 1786 1 4 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.076 0.145 18916 1787 1 4 . 1 1 75 75 ILE H H 75 6.969 6.969 7.280 -0.311 18916 1788 1 4 . 1 1 76 76 VAL N N 76 117.042 117.042 119.754 -2.712 18916 1789 1 4 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.417 -0.221 18916 1790 1 4 . 1 1 76 76 VAL C C 76 178.675 178.675 177.819 0.856 18916 1791 1 4 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.609 -0.664 18916 1792 1 4 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.317 1.327 18916 1793 1 4 . 1 1 76 76 VAL H H 76 7.056 7.056 7.906 -0.850 18916 1794 1 4 . 1 1 77 77 ASP N N 77 120.009 120.009 118.463 1.546 18916 1795 1 4 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.354 -0.050 18916 1796 1 4 . 1 1 77 77 ASP C C 77 178.515 178.515 178.292 0.223 18916 1797 1 4 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.147 -0.149 18916 1798 1 4 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.767 -1.917 18916 1799 1 4 . 1 1 77 77 ASP H H 77 9.171 9.171 7.885 1.286 18916 1800 1 4 . 1 1 78 78 SER N N 78 117.973 117.973 116.438 1.535 18916 1801 1 4 . 1 1 78 78 SER HA H 78 4.391 4.391 4.109 0.282 18916 1802 1 4 . 1 1 78 78 SER C C 78 175.290 175.290 176.205 -0.915 18916 1803 1 4 . 1 1 78 78 SER CA C 78 62.948 62.948 62.017 0.932 18916 1804 1 4 . 1 1 78 78 SER CB C 78 63.080 63.080 63.137 -0.057 18916 1805 1 4 . 1 1 78 78 SER H H 78 7.056 7.056 7.548 -0.492 18916 1806 1 4 . 1 1 79 79 VAL N N 79 119.889 119.889 121.788 -1.899 18916 1807 1 4 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.321 -0.413 18916 1808 1 4 . 1 1 79 79 VAL C C 79 179.169 179.169 177.600 1.569 18916 1809 1 4 . 1 1 79 79 VAL CA C 79 66.864 66.864 66.070 0.793 18916 1810 1 4 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.418 -0.588 18916 1811 1 4 . 1 1 79 79 VAL H H 79 7.596 7.596 7.745 -0.149 18916 1812 1 4 . 1 1 80 80 LYS N N 80 121.062 121.062 118.652 2.410 18916 1813 1 4 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.027 -0.137 18916 1814 1 4 . 1 1 80 80 LYS C C 80 178.806 178.806 178.336 0.470 18916 1815 1 4 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.875 0.904 18916 1816 1 4 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.397 -0.066 18916 1817 1 4 . 1 1 80 80 LYS H H 80 7.946 7.946 7.590 0.356 18916 1818 1 4 . 1 1 81 81 GLU N N 81 115.870 115.870 116.359 -0.489 18916 1819 1 4 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.346 -0.218 18916 1820 1 4 . 1 1 81 81 GLU C C 81 174.912 174.912 176.370 -1.458 18916 1821 1 4 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.730 0.740 18916 1822 1 4 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.814 -0.201 18916 1823 1 4 . 1 1 81 81 GLU H H 81 8.063 8.063 7.635 0.428 18916 1824 1 4 . 1 1 82 82 ALA N N 82 122.380 122.380 120.093 2.287 18916 1825 1 4 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.896 -0.188 18916 1826 1 4 . 1 1 82 82 ALA C C 82 175.711 175.711 175.892 -0.181 18916 1827 1 4 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.445 -0.984 18916 1828 1 4 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.208 -0.627 18916 1829 1 4 . 1 1 82 82 ALA H H 82 7.931 7.931 7.744 0.187 18916 1830 1 4 . 1 1 83 83 ARG N N 83 115.619 115.619 115.290 0.329 18916 1831 1 4 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.563 -0.373 18916 1832 1 4 . 1 1 83 83 ARG C C 83 172.050 172.050 174.024 -1.974 18916 1833 1 4 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.790 1.372 18916 1834 1 4 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.715 -0.360 18916 1835 1 4 . 1 1 83 83 ARG H H 83 8.165 8.165 7.528 0.637 18916 1836 1 4 . 1 1 84 84 LEU N N 84 120.648 120.648 122.695 -2.047 18916 1837 1 4 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.331 -0.615 18916 1838 1 4 . 1 1 84 84 LEU C C 84 176.917 176.917 175.787 1.130 18916 1839 1 4 . 1 1 84 84 LEU CA C 84 54.985 54.985 53.890 1.095 18916 1840 1 4 . 1 1 84 84 LEU CB C 84 41.311 41.311 42.278 -0.967 18916 1841 1 4 . 1 1 84 84 LEU H H 84 8.325 8.325 8.380 -0.055 18916 1842 1 4 . 1 1 85 85 LEU N N 85 132.955 132.955 129.713 3.242 18916 1843 1 4 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.922 -0.325 18916 1844 1 4 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.966 1.682 18916 1845 1 4 . 1 1 85 85 LEU CB C 85 40.363 40.363 42.904 -2.541 18916 1846 1 4 . 1 1 85 85 LEU H H 85 7.946 7.946 8.190 -0.244 18916 1847 1 4 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.511 0.074 18916 1848 1 4 . 1 1 86 86 PRO C C 86 178.835 178.835 178.155 0.680 18916 1849 1 4 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.298 0.477 18916 1850 1 4 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.401 0.148 18916 1851 1 4 . 1 1 87 87 TRP N N 87 128.323 128.323 126.224 2.099 18916 1852 1 4 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.654 -0.019 18916 1853 1 4 . 1 1 87 87 TRP C C 87 177.963 177.963 177.143 0.820 18916 1854 1 4 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.413 0.140 18916 1855 1 4 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.574 -0.613 18916 1856 1 4 . 1 1 87 87 TRP H H 87 8.369 8.369 8.681 -0.312 18916 1857 1 4 . 1 1 88 88 GLN N N 88 120.928 120.928 118.421 2.507 18916 1858 1 4 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.614 -0.709 18916 1859 1 4 . 1 1 88 88 GLN C C 88 178.196 178.196 177.576 0.620 18916 1860 1 4 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.696 2.226 18916 1861 1 4 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.118 -0.658 18916 1862 1 4 . 1 1 88 88 GLN H H 88 8.354 8.354 7.677 0.677 18916 1863 1 4 . 1 1 89 89 ASN N N 89 116.452 116.452 118.128 -1.676 18916 1864 1 4 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.406 -0.107 18916 1865 1 4 . 1 1 89 89 ASN C C 89 174.752 174.752 175.730 -0.978 18916 1866 1 4 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.650 -0.519 18916 1867 1 4 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.537 -1.176 18916 1868 1 4 . 1 1 89 89 ASN H H 89 7.304 7.304 7.629 -0.325 18916 1869 1 4 . 1 1 90 90 TYR N N 90 118.336 118.336 115.205 3.131 18916 1870 1 4 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.701 -0.087 18916 1871 1 4 . 1 1 90 90 TYR C C 90 174.534 174.534 174.730 -0.196 18916 1872 1 4 . 1 1 90 90 TYR CA C 90 57.534 57.534 56.326 1.208 18916 1873 1 4 . 1 1 90 90 TYR CB C 90 40.153 40.153 39.056 1.097 18916 1874 1 4 . 1 1 90 90 TYR H H 90 8.048 8.048 7.561 0.487 18916 1875 1 4 . 1 1 91 91 SER N N 91 114.053 114.053 116.768 -2.715 18916 1876 1 4 . 1 1 91 91 SER HA H 91 5.015 5.015 4.776 0.239 18916 1877 1 4 . 1 1 91 91 SER C C 91 176.205 176.205 175.473 0.732 18916 1878 1 4 . 1 1 91 91 SER CA C 91 58.037 58.037 58.657 -0.620 18916 1879 1 4 . 1 1 91 91 SER CB C 91 64.342 64.342 63.518 0.824 18916 1880 1 4 . 1 1 91 91 SER H H 91 7.012 7.012 7.332 -0.320 18916 1881 1 4 . 1 1 92 92 LEU N N 92 126.106 126.106 128.637 -2.531 18916 1882 1 4 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.689 -0.084 18916 1883 1 4 . 1 1 92 92 LEU C C 92 177.687 177.687 178.414 -0.727 18916 1884 1 4 . 1 1 92 92 LEU CA C 92 55.405 55.405 54.373 1.032 18916 1885 1 4 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.158 1.729 18916 1886 1 4 . 1 1 92 92 LEU H H 92 8.777 8.777 8.640 0.137 18916 1887 1 4 . 1 1 93 93 THR N N 93 112.458 112.458 113.309 -0.851 18916 1888 1 4 . 1 1 93 93 THR HA H 93 4.489 4.489 4.149 0.340 18916 1889 1 4 . 1 1 93 93 THR C C 93 173.851 173.851 175.039 -1.188 18916 1890 1 4 . 1 1 93 93 THR CA C 93 61.318 61.318 64.115 -2.797 18916 1891 1 4 . 1 1 93 93 THR CB C 93 69.853 69.853 69.305 0.548 18916 1892 1 4 . 1 1 93 93 THR H H 93 8.252 8.252 7.600 0.652 18916 1893 1 5 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.531 -0.749 18916 1894 1 5 . 1 1 4 4 GLN CA C 4 56.878 56.878 56.119 0.759 18916 1895 1 5 . 1 1 4 4 GLN CB C 4 29.441 29.441 28.805 0.636 18916 1896 1 5 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.542 0.012 18916 1897 1 5 . 1 1 7 7 LYS C C 7 178.298 178.298 178.107 0.191 18916 1898 1 5 . 1 1 7 7 LYS CA C 7 54.750 54.750 56.302 -1.552 18916 1899 1 5 . 1 1 7 7 LYS CB C 7 32.593 32.593 32.146 0.447 18916 1900 1 5 . 1 1 8 8 ILE N N 8 119.676 119.676 121.394 -1.718 18916 1901 1 5 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.520 0.064 18916 1902 1 5 . 1 1 8 8 ILE C C 8 177.164 177.164 175.848 1.316 18916 1903 1 5 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.073 1.839 18916 1904 1 5 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.763 1.211 18916 1905 1 5 . 1 1 8 8 ILE H H 8 7.633 7.633 7.504 0.129 18916 1906 1 5 . 1 1 9 9 PHE N N 9 113.639 113.639 111.418 2.221 18916 1907 1 5 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.725 0.187 18916 1908 1 5 . 1 1 9 9 PHE C C 9 174.520 174.520 176.393 -1.873 18916 1909 1 5 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.370 0.669 18916 1910 1 5 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.593 -0.879 18916 1911 1 5 . 1 1 9 9 PHE H H 9 8.403 8.403 7.486 0.917 18916 1912 1 5 . 1 1 10 10 LYS N N 10 120.104 120.104 123.413 -3.309 18916 1913 1 5 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.370 -0.227 18916 1914 1 5 . 1 1 10 10 LYS C C 10 177.600 177.600 177.559 0.041 18916 1915 1 5 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.402 0.106 18916 1916 1 5 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.513 -0.073 18916 1917 1 5 . 1 1 10 10 LYS H H 10 7.328 7.328 7.529 -0.201 18916 1918 1 5 . 1 1 11 11 ASN N N 11 116.960 116.960 114.862 2.098 18916 1919 1 5 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.769 -0.224 18916 1920 1 5 . 1 1 11 11 ASN C C 11 175.566 175.566 175.346 0.220 18916 1921 1 5 . 1 1 11 11 ASN CA C 11 55.479 55.479 52.787 2.692 18916 1922 1 5 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.455 -0.927 18916 1923 1 5 . 1 1 11 11 ASN H H 11 8.984 8.984 8.742 0.242 18916 1924 1 5 . 1 1 12 12 CYS N N 12 118.344 118.344 120.625 -2.281 18916 1925 1 5 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.669 0.457 18916 1926 1 5 . 1 1 12 12 CYS C C 12 175.014 175.014 173.279 1.735 18916 1927 1 5 . 1 1 12 12 CYS CA C 12 59.549 59.549 58.464 1.085 18916 1928 1 5 . 1 1 12 12 CYS CB C 12 29.319 29.319 31.223 -1.904 18916 1929 1 5 . 1 1 12 12 CYS H H 12 8.460 8.460 7.807 0.653 18916 1930 1 5 . 1 1 13 13 VAL N N 13 128.765 128.765 124.988 3.777 18916 1931 1 5 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.540 -0.151 18916 1932 1 5 . 1 1 13 13 VAL C C 13 174.912 174.912 174.931 -0.019 18916 1933 1 5 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.716 0.578 18916 1934 1 5 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.649 0.819 18916 1935 1 5 . 1 1 13 13 VAL H H 13 9.878 9.878 8.999 0.879 18916 1936 1 5 . 1 1 14 14 ILE N N 14 128.270 128.270 127.442 0.828 18916 1937 1 5 . 1 1 14 14 ILE HA H 14 5.200 5.200 4.995 0.205 18916 1938 1 5 . 1 1 14 14 ILE C C 14 174.098 174.098 175.064 -0.966 18916 1939 1 5 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.861 0.444 18916 1940 1 5 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.489 1.054 18916 1941 1 5 . 1 1 14 14 ILE H H 14 8.841 8.841 8.616 0.225 18916 1942 1 5 . 1 1 15 15 TYR N N 15 125.475 125.475 129.989 -4.514 18916 1943 1 5 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.222 -0.113 18916 1944 1 5 . 1 1 15 15 TYR C C 15 173.023 173.023 174.178 -1.155 18916 1945 1 5 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.792 0.094 18916 1946 1 5 . 1 1 15 15 TYR CB C 15 42.813 42.813 39.858 2.955 18916 1947 1 5 . 1 1 15 15 TYR H H 15 8.023 8.023 9.081 -1.058 18916 1948 1 5 . 1 1 16 16 ILE N N 16 128.262 128.262 129.598 -1.336 18916 1949 1 5 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.092 0.275 18916 1950 1 5 . 1 1 16 16 ILE C C 16 173.895 173.895 174.784 -0.889 18916 1951 1 5 . 1 1 16 16 ILE CA C 16 59.688 59.688 61.383 -1.696 18916 1952 1 5 . 1 1 16 16 ILE CB C 16 36.912 36.912 38.067 -1.155 18916 1953 1 5 . 1 1 16 16 ILE H H 16 8.708 8.708 8.366 0.342 18916 1954 1 5 . 1 1 17 17 ASN N N 17 126.842 126.842 125.133 1.709 18916 1955 1 5 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.585 0.076 18916 1956 1 5 . 1 1 17 17 ASN C C 17 174.171 174.171 174.612 -0.441 18916 1957 1 5 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.748 1.139 18916 1958 1 5 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.234 1.710 18916 1959 1 5 . 1 1 17 17 ASN H H 17 8.974 8.974 8.534 0.440 18916 1960 1 5 . 1 1 18 18 GLY N N 18 113.508 113.508 112.864 0.644 18916 1961 1 5 . 1 1 18 18 GLY C C 18 172.529 172.529 173.633 -1.104 18916 1962 1 5 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.717 0.468 18916 1963 1 5 . 1 1 18 18 GLY H H 18 8.727 8.727 8.061 0.666 18916 1964 1 5 . 1 1 19 19 TYR N N 19 121.021 121.021 121.134 -0.113 18916 1965 1 5 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.410 0.040 18916 1966 1 5 . 1 1 19 19 TYR C C 19 176.147 176.147 175.693 0.454 18916 1967 1 5 . 1 1 19 19 TYR CA C 19 58.982 58.982 58.594 0.388 18916 1968 1 5 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.308 0.393 18916 1969 1 5 . 1 1 19 19 TYR H H 19 8.651 8.651 8.408 0.243 18916 1970 1 5 . 1 1 20 20 THR N N 20 117.677 117.677 115.281 2.396 18916 1971 1 5 . 1 1 20 20 THR HA H 20 4.279 4.279 4.642 -0.363 18916 1972 1 5 . 1 1 20 20 THR C C 20 171.803 171.803 173.705 -1.902 18916 1973 1 5 . 1 1 20 20 THR CA C 20 59.986 59.986 60.013 -0.027 18916 1974 1 5 . 1 1 20 20 THR CB C 20 73.362 73.362 70.955 2.407 18916 1975 1 5 . 1 1 20 20 THR H H 20 7.242 7.242 7.961 -0.719 18916 1976 1 5 . 1 1 21 21 LYS N N 21 120.592 120.592 123.071 -2.479 18916 1977 1 5 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.687 -0.640 18916 1978 1 5 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.917 1.113 18916 1979 1 5 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.653 2.173 18916 1980 1 5 . 1 1 21 21 LYS H H 21 7.718 7.718 8.467 -0.749 18916 1981 1 5 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.483 0.107 18916 1982 1 5 . 1 1 22 22 PRO C C 22 175.043 175.043 176.643 -1.600 18916 1983 1 5 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.220 0.728 18916 1984 1 5 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.833 1.707 18916 1985 1 5 . 1 1 23 23 GLY N N 23 105.352 105.352 106.426 -1.074 18916 1986 1 5 . 1 1 23 23 GLY C C 23 172.762 172.762 175.854 -3.092 18916 1987 1 5 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.569 0.311 18916 1988 1 5 . 1 1 23 23 GLY H H 23 8.356 8.356 8.578 -0.222 18916 1989 1 5 . 1 1 24 24 ARG N N 24 119.274 119.274 122.480 -3.206 18916 1990 1 5 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.623 -0.348 18916 1991 1 5 . 1 1 24 24 ARG C C 24 176.263 176.263 178.039 -1.776 18916 1992 1 5 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.804 1.116 18916 1993 1 5 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.483 0.848 18916 1994 1 5 . 1 1 24 24 ARG H H 24 7.813 7.813 8.636 -0.823 18916 1995 1 5 . 1 1 25 25 LEU N N 25 116.403 116.403 115.670 0.733 18916 1996 1 5 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.420 -0.730 18916 1997 1 5 . 1 1 25 25 LEU C C 25 179.562 179.562 178.924 0.638 18916 1998 1 5 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.385 1.006 18916 1999 1 5 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.824 0.020 18916 2000 1 5 . 1 1 25 25 LEU H H 25 8.156 8.156 7.951 0.205 18916 2001 1 5 . 1 1 26 26 GLN N N 26 118.294 118.294 118.907 -0.613 18916 2002 1 5 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.117 -0.151 18916 2003 1 5 . 1 1 26 26 GLN C C 26 179.358 179.358 178.543 0.815 18916 2004 1 5 . 1 1 26 26 GLN CA C 26 59.322 59.322 58.050 1.272 18916 2005 1 5 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.387 -0.330 18916 2006 1 5 . 1 1 26 26 GLN H H 26 7.423 7.423 7.497 -0.074 18916 2007 1 5 . 1 1 27 27 LEU N N 27 119.419 119.419 120.177 -0.758 18916 2008 1 5 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.734 0.194 18916 2009 1 5 . 1 1 27 27 LEU C C 27 178.777 178.777 178.871 -0.094 18916 2010 1 5 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.242 -0.219 18916 2011 1 5 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.593 0.297 18916 2012 1 5 . 1 1 27 27 LEU H H 27 8.127 8.127 8.203 -0.076 18916 2013 1 5 . 1 1 28 28 HIS N N 28 118.332 118.332 117.938 0.394 18916 2014 1 5 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.933 -0.191 18916 2015 1 5 . 1 1 28 28 HIS C C 28 177.121 177.121 177.841 -0.720 18916 2016 1 5 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.671 -1.873 18916 2017 1 5 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.418 0.023 18916 2018 1 5 . 1 1 28 28 HIS H H 28 8.727 8.727 8.115 0.612 18916 2019 1 5 . 1 1 29 29 GLU N N 29 116.699 116.699 119.037 -2.338 18916 2020 1 5 . 1 1 29 29 GLU HA H 29 3.978 3.978 4.050 -0.072 18916 2021 1 5 . 1 1 29 29 GLU C C 29 178.951 178.951 179.095 -0.144 18916 2022 1 5 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.013 0.263 18916 2023 1 5 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.214 0.470 18916 2024 1 5 . 1 1 29 29 GLU H H 29 7.518 7.518 7.701 -0.183 18916 2025 1 5 . 1 1 30 30 MET N N 30 118.090 118.090 118.089 0.001 18916 2026 1 5 . 1 1 30 30 MET HA H 30 4.055 4.055 4.248 -0.193 18916 2027 1 5 . 1 1 30 30 MET C C 30 177.992 177.992 179.170 -1.178 18916 2028 1 5 . 1 1 30 30 MET CA C 30 60.040 60.040 57.762 2.278 18916 2029 1 5 . 1 1 30 30 MET CB C 30 34.522 34.522 32.024 2.498 18916 2030 1 5 . 1 1 30 30 MET H H 30 7.766 7.766 7.748 0.018 18916 2031 1 5 . 1 1 31 31 ILE N N 31 118.458 118.458 119.858 -1.400 18916 2032 1 5 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.360 -0.108 18916 2033 1 5 . 1 1 31 31 ILE C C 31 178.007 178.007 178.440 -0.433 18916 2034 1 5 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.304 -0.413 18916 2035 1 5 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.659 0.523 18916 2036 1 5 . 1 1 31 31 ILE H H 31 8.337 8.337 8.301 0.036 18916 2037 1 5 . 1 1 32 32 VAL N N 32 117.878 117.878 120.176 -2.298 18916 2038 1 5 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.253 -0.250 18916 2039 1 5 . 1 1 32 32 VAL C C 32 180.884 180.884 178.758 2.126 18916 2040 1 5 . 1 1 32 32 VAL CA C 32 65.376 65.376 66.376 -1.000 18916 2041 1 5 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.797 0.200 18916 2042 1 5 . 1 1 32 32 VAL H H 32 7.888 7.888 8.054 -0.166 18916 2043 1 5 . 1 1 33 33 LEU N N 33 123.609 123.609 118.687 4.922 18916 2044 1 5 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.066 0.007 18916 2045 1 5 . 1 1 33 33 LEU C C 33 177.498 177.498 177.858 -0.360 18916 2046 1 5 . 1 1 33 33 LEU CA C 33 57.662 57.662 57.281 0.381 18916 2047 1 5 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.696 1.594 18916 2048 1 5 . 1 1 33 33 LEU H H 33 8.281 8.281 7.661 0.620 18916 2049 1 5 . 1 1 34 34 HIS N N 34 113.272 113.272 114.813 -1.541 18916 2050 1 5 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.782 -0.067 18916 2051 1 5 . 1 1 34 34 HIS C C 34 175.464 175.464 175.486 -0.022 18916 2052 1 5 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.504 0.892 18916 2053 1 5 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.368 0.400 18916 2054 1 5 . 1 1 34 34 HIS H H 34 7.319 7.319 7.620 -0.301 18916 2055 1 5 . 1 1 35 35 GLY N N 35 104.307 104.307 106.649 -2.342 18916 2056 1 5 . 1 1 35 35 GLY C C 35 174.985 174.985 175.155 -0.170 18916 2057 1 5 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.217 2.097 18916 2058 1 5 . 1 1 35 35 GLY H H 35 7.392 7.392 7.959 -0.567 18916 2059 1 5 . 1 1 36 36 GLY N N 36 108.630 108.630 109.191 -0.561 18916 2060 1 5 . 1 1 36 36 GLY C C 36 171.701 171.701 174.040 -2.339 18916 2061 1 5 . 1 1 36 36 GLY CA C 36 44.392 44.392 44.743 -0.351 18916 2062 1 5 . 1 1 36 36 GLY H H 36 8.763 8.763 8.158 0.605 18916 2063 1 5 . 1 1 37 37 LYS N N 37 115.119 115.119 123.122 -8.003 18916 2064 1 5 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.954 -0.340 18916 2065 1 5 . 1 1 37 37 LYS C C 37 174.302 174.302 175.611 -1.309 18916 2066 1 5 . 1 1 37 37 LYS CA C 37 54.319 54.319 54.261 0.058 18916 2067 1 5 . 1 1 37 37 LYS CB C 37 37.250 37.250 35.306 1.944 18916 2068 1 5 . 1 1 37 37 LYS H H 37 7.406 7.406 8.089 -0.683 18916 2069 1 5 . 1 1 38 38 PHE N N 38 117.196 117.196 118.919 -1.723 18916 2070 1 5 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.492 0.396 18916 2071 1 5 . 1 1 38 38 PHE C C 38 173.604 173.604 174.262 -0.658 18916 2072 1 5 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.284 -0.432 18916 2073 1 5 . 1 1 38 38 PHE CB C 38 43.379 43.379 41.900 1.480 18916 2074 1 5 . 1 1 38 38 PHE H H 38 7.844 7.844 8.373 -0.529 18916 2075 1 5 . 1 1 39 39 LEU N N 39 119.576 119.576 124.096 -4.520 18916 2076 1 5 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.778 -0.174 18916 2077 1 5 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.431 -0.770 18916 2078 1 5 . 1 1 39 39 LEU CB C 39 45.901 45.901 44.127 1.774 18916 2079 1 5 . 1 1 39 39 LEU H H 39 8.223 8.223 8.591 -0.368 18916 2080 1 5 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.509 0.130 18916 2081 1 5 . 1 1 40 40 HIS C C 40 174.694 174.694 174.525 0.169 18916 2082 1 5 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.830 0.841 18916 2083 1 5 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.541 1.349 18916 2084 1 5 . 1 1 41 41 TYR N N 41 115.005 115.005 118.093 -3.088 18916 2085 1 5 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.327 0.333 18916 2086 1 5 . 1 1 41 41 TYR C C 41 173.023 173.023 173.310 -0.287 18916 2087 1 5 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.174 -1.276 18916 2088 1 5 . 1 1 41 41 TYR CB C 41 40.313 40.313 39.712 0.601 18916 2089 1 5 . 1 1 41 41 TYR H H 41 7.363 7.363 7.375 -0.012 18916 2090 1 5 . 1 1 42 42 LEU N N 42 121.687 121.687 125.343 -3.656 18916 2091 1 5 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.298 -0.410 18916 2092 1 5 . 1 1 42 42 LEU CA C 42 54.041 54.041 54.295 -0.255 18916 2093 1 5 . 1 1 42 42 LEU CB C 42 41.096 41.096 42.780 -1.684 18916 2094 1 5 . 1 1 42 42 LEU H H 42 8.252 8.252 7.360 0.892 18916 2095 1 5 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.354 -0.120 18916 2096 1 5 . 1 1 46 46 LYS CA C 46 56.885 56.885 56.851 0.034 18916 2097 1 5 . 1 1 46 46 LYS CB C 46 32.542 32.542 31.118 1.424 18916 2098 1 5 . 1 1 47 47 THR HA H 47 4.168 4.168 4.441 -0.273 18916 2099 1 5 . 1 1 47 47 THR C C 47 174.186 174.186 173.922 0.264 18916 2100 1 5 . 1 1 47 47 THR CA C 47 62.706 62.706 62.045 0.661 18916 2101 1 5 . 1 1 47 47 THR CB C 47 69.762 69.762 69.911 -0.149 18916 2102 1 5 . 1 1 48 48 VAL N N 48 123.218 123.218 121.288 1.930 18916 2103 1 5 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.542 -0.699 18916 2104 1 5 . 1 1 48 48 VAL C C 48 174.985 174.985 174.825 0.160 18916 2105 1 5 . 1 1 48 48 VAL CA C 48 62.146 62.146 60.167 1.979 18916 2106 1 5 . 1 1 48 48 VAL CB C 48 33.167 33.167 34.833 -1.666 18916 2107 1 5 . 1 1 48 48 VAL H H 48 7.771 7.771 7.365 0.406 18916 2108 1 5 . 1 1 49 49 THR N N 49 116.982 116.982 118.032 -1.050 18916 2109 1 5 . 1 1 49 49 THR HA H 49 4.319 4.319 4.368 -0.049 18916 2110 1 5 . 1 1 49 49 THR C C 49 176.118 176.118 173.880 2.238 18916 2111 1 5 . 1 1 49 49 THR CA C 49 62.831 62.831 62.382 0.449 18916 2112 1 5 . 1 1 49 49 THR CB C 49 69.114 69.114 70.292 -1.178 18916 2113 1 5 . 1 1 49 49 THR H H 49 9.798 9.798 8.401 1.397 18916 2114 1 5 . 1 1 50 50 HIS N N 50 121.799 121.799 120.138 1.661 18916 2115 1 5 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.257 -0.341 18916 2116 1 5 . 1 1 50 50 HIS C C 50 172.849 172.849 173.434 -0.585 18916 2117 1 5 . 1 1 50 50 HIS CA C 50 56.654 56.654 55.016 1.638 18916 2118 1 5 . 1 1 50 50 HIS CB C 50 34.649 34.649 32.459 2.190 18916 2119 1 5 . 1 1 50 50 HIS H H 50 7.596 7.596 7.956 -0.360 18916 2120 1 5 . 1 1 51 51 ILE N N 51 123.013 123.013 125.061 -2.048 18916 2121 1 5 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.843 0.137 18916 2122 1 5 . 1 1 51 51 ILE C C 51 174.505 174.505 174.714 -0.209 18916 2123 1 5 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.144 -1.177 18916 2124 1 5 . 1 1 51 51 ILE CB C 51 39.153 39.153 40.127 -0.974 18916 2125 1 5 . 1 1 51 51 ILE H H 51 8.996 8.996 8.331 0.665 18916 2126 1 5 . 1 1 52 52 VAL N N 52 127.413 127.413 128.420 -1.007 18916 2127 1 5 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.664 0.638 18916 2128 1 5 . 1 1 52 52 VAL C C 52 174.084 174.084 174.529 -0.445 18916 2129 1 5 . 1 1 52 52 VAL CA C 52 59.207 59.207 61.228 -2.021 18916 2130 1 5 . 1 1 52 52 VAL CB C 52 33.259 33.259 31.601 1.658 18916 2131 1 5 . 1 1 52 52 VAL H H 52 8.821 8.821 8.247 0.574 18916 2132 1 5 . 1 1 53 53 ALA N N 53 127.601 127.601 129.842 -2.241 18916 2133 1 5 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.111 -0.489 18916 2134 1 5 . 1 1 53 53 ALA C C 53 174.680 174.680 176.297 -1.617 18916 2135 1 5 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.651 0.259 18916 2136 1 5 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.769 0.391 18916 2137 1 5 . 1 1 53 53 ALA H H 53 8.967 8.967 8.504 0.463 18916 2138 1 5 . 1 1 54 54 SER N N 54 113.005 113.005 115.829 -2.824 18916 2139 1 5 . 1 1 54 54 SER HA H 54 4.657 4.657 4.446 0.211 18916 2140 1 5 . 1 1 54 54 SER C C 54 174.229 174.229 174.285 -0.056 18916 2141 1 5 . 1 1 54 54 SER CA C 54 59.671 59.671 59.080 0.591 18916 2142 1 5 . 1 1 54 54 SER CB C 54 64.852 64.852 63.770 1.082 18916 2143 1 5 . 1 1 54 54 SER H H 54 9.303 9.303 8.785 0.518 18916 2144 1 5 . 1 1 55 55 ASN N N 55 117.475 117.475 119.475 -2.000 18916 2145 1 5 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.859 -0.258 18916 2146 1 5 . 1 1 55 55 ASN C C 55 173.052 173.052 173.285 -0.233 18916 2147 1 5 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.842 0.283 18916 2148 1 5 . 1 1 55 55 ASN CB C 55 40.610 40.610 39.800 0.810 18916 2149 1 5 . 1 1 55 55 ASN H H 55 7.917 7.917 8.215 -0.298 18916 2150 1 5 . 1 1 56 56 LEU N N 56 122.146 122.146 126.273 -4.127 18916 2151 1 5 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.936 -0.136 18916 2152 1 5 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.227 0.678 18916 2153 1 5 . 1 1 56 56 LEU CB C 56 44.592 44.592 44.528 0.064 18916 2154 1 5 . 1 1 56 56 LEU H H 56 8.792 8.792 8.519 0.273 18916 2155 1 5 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.729 -0.164 18916 2156 1 5 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.580 -0.390 18916 2157 1 5 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.992 -0.493 18916 2158 1 5 . 1 1 58 58 LEU HA H 58 3.920 3.920 4.002 -0.082 18916 2159 1 5 . 1 1 58 58 LEU C C 58 178.806 178.806 178.686 0.120 18916 2160 1 5 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.177 0.995 18916 2161 1 5 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.466 0.123 18916 2162 1 5 . 1 1 59 59 LYS N N 59 115.039 115.039 119.912 -4.873 18916 2163 1 5 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.027 -0.055 18916 2164 1 5 . 1 1 59 59 LYS C C 59 179.053 179.053 178.941 0.112 18916 2165 1 5 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.979 0.545 18916 2166 1 5 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.374 1.037 18916 2167 1 5 . 1 1 59 59 LYS H H 59 8.763 8.763 8.444 0.319 18916 2168 1 5 . 1 1 60 60 LYS N N 60 116.433 116.433 118.408 -1.975 18916 2169 1 5 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.864 0.096 18916 2170 1 5 . 1 1 60 60 LYS C C 60 176.874 176.874 179.218 -2.344 18916 2171 1 5 . 1 1 60 60 LYS CA C 60 55.721 55.721 57.288 -1.567 18916 2172 1 5 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.747 0.186 18916 2173 1 5 . 1 1 60 60 LYS H H 60 7.158 7.158 7.561 -0.403 18916 2174 1 5 . 1 1 61 61 ARG N N 61 120.369 120.369 120.741 -0.372 18916 2175 1 5 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.168 -0.344 18916 2176 1 5 . 1 1 61 61 ARG C C 61 179.213 179.213 178.033 1.180 18916 2177 1 5 . 1 1 61 61 ARG CA C 61 59.814 59.814 58.703 1.111 18916 2178 1 5 . 1 1 61 61 ARG CB C 61 29.870 29.870 29.610 0.260 18916 2179 1 5 . 1 1 61 61 ARG H H 61 7.902 7.902 7.951 -0.049 18916 2180 1 5 . 1 1 62 62 ILE N N 62 117.956 117.956 117.377 0.579 18916 2181 1 5 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.771 0.037 18916 2182 1 5 . 1 1 62 62 ILE C C 62 178.966 178.966 178.339 0.627 18916 2183 1 5 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.685 -0.523 18916 2184 1 5 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.926 0.093 18916 2185 1 5 . 1 1 62 62 ILE H H 62 7.727 7.727 7.670 0.057 18916 2186 1 5 . 1 1 63 63 GLU N N 63 121.877 121.877 121.377 0.500 18916 2187 1 5 . 1 1 63 63 GLU HA H 63 3.950 3.950 3.959 -0.009 18916 2188 1 5 . 1 1 63 63 GLU C C 63 178.792 178.792 177.192 1.600 18916 2189 1 5 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.940 0.362 18916 2190 1 5 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.703 0.119 18916 2191 1 5 . 1 1 63 63 GLU H H 63 7.713 7.713 7.646 0.067 18916 2192 1 5 . 1 1 64 64 PHE N N 64 115.684 115.684 115.760 -0.076 18916 2193 1 5 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.842 0.236 18916 2194 1 5 . 1 1 64 64 PHE C C 64 175.886 175.886 175.394 0.492 18916 2195 1 5 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.191 -1.332 18916 2196 1 5 . 1 1 64 64 PHE CB C 64 37.431 37.431 38.399 -0.968 18916 2197 1 5 . 1 1 64 64 PHE H H 64 8.077 8.077 7.696 0.381 18916 2198 1 5 . 1 1 65 65 ALA N N 65 122.616 122.616 124.507 -1.891 18916 2199 1 5 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.271 -0.107 18916 2200 1 5 . 1 1 65 65 ALA C C 65 178.356 178.356 178.476 -0.120 18916 2201 1 5 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.944 0.478 18916 2202 1 5 . 1 1 65 65 ALA CB C 65 19.243 19.243 19.047 0.196 18916 2203 1 5 . 1 1 65 65 ALA H H 65 7.290 7.290 7.243 0.047 18916 2204 1 5 . 1 1 66 66 ASN N N 66 112.567 112.567 115.427 -2.860 18916 2205 1 5 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.542 0.063 18916 2206 1 5 . 1 1 66 66 ASN C C 66 174.374 174.374 174.941 -0.567 18916 2207 1 5 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.442 -1.088 18916 2208 1 5 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.448 -0.529 18916 2209 1 5 . 1 1 66 66 ASN H H 66 8.602 8.602 8.779 -0.177 18916 2210 1 5 . 1 1 67 67 TYR N N 67 118.682 118.682 117.181 1.501 18916 2211 1 5 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.272 0.256 18916 2212 1 5 . 1 1 67 67 TYR C C 67 175.072 175.072 175.681 -0.609 18916 2213 1 5 . 1 1 67 67 TYR CA C 67 56.641 56.641 57.785 -1.144 18916 2214 1 5 . 1 1 67 67 TYR CB C 67 40.822 40.822 38.652 2.170 18916 2215 1 5 . 1 1 67 67 TYR H H 67 7.873 7.873 7.727 0.146 18916 2216 1 5 . 1 1 68 68 LYS N N 68 121.419 121.419 123.221 -1.802 18916 2217 1 5 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.111 -0.311 18916 2218 1 5 . 1 1 68 68 LYS C C 68 174.491 174.491 175.694 -1.203 18916 2219 1 5 . 1 1 68 68 LYS CA C 68 56.246 56.246 54.662 1.584 18916 2220 1 5 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.062 2.602 18916 2221 1 5 . 1 1 68 68 LYS H H 68 7.771 7.771 8.358 -0.587 18916 2222 1 5 . 1 1 69 69 VAL N N 69 126.113 126.113 125.926 0.187 18916 2223 1 5 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.834 0.348 18916 2224 1 5 . 1 1 69 69 VAL C C 69 176.365 176.365 175.975 0.390 18916 2225 1 5 . 1 1 69 69 VAL CA C 69 60.879 60.879 62.973 -2.094 18916 2226 1 5 . 1 1 69 69 VAL CB C 69 32.355 32.355 32.131 0.224 18916 2227 1 5 . 1 1 69 69 VAL H H 69 8.384 8.384 7.796 0.588 18916 2228 1 5 . 1 1 70 70 VAL N N 70 120.358 120.358 122.883 -2.525 18916 2229 1 5 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.064 0.313 18916 2230 1 5 . 1 1 70 70 VAL C C 70 174.040 174.040 174.937 -0.897 18916 2231 1 5 . 1 1 70 70 VAL CA C 70 57.849 57.849 59.110 -1.261 18916 2232 1 5 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.914 0.839 18916 2233 1 5 . 1 1 70 70 VAL H H 70 9.390 9.390 8.869 0.521 18916 2234 1 5 . 1 1 71 71 SER N N 71 114.634 114.634 116.277 -1.643 18916 2235 1 5 . 1 1 71 71 SER HA H 71 5.630 5.630 5.469 0.161 18916 2236 1 5 . 1 1 71 71 SER CA C 71 60.584 60.584 55.700 4.884 18916 2237 1 5 . 1 1 71 71 SER CB C 71 60.367 60.367 62.713 -2.346 18916 2238 1 5 . 1 1 71 71 SER H H 71 8.354 8.354 8.126 0.228 18916 2239 1 5 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.309 -0.173 18916 2240 1 5 . 1 1 72 72 PRO C C 72 177.193 177.193 177.634 -0.441 18916 2241 1 5 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.515 -0.453 18916 2242 1 5 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.839 0.500 18916 2243 1 5 . 1 1 73 73 ASP N N 73 115.868 115.868 118.435 -2.567 18916 2244 1 5 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.388 -0.186 18916 2245 1 5 . 1 1 73 73 ASP C C 73 175.450 175.450 177.809 -2.359 18916 2246 1 5 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.018 -1.592 18916 2247 1 5 . 1 1 73 73 ASP CB C 73 39.355 39.355 40.033 -0.679 18916 2248 1 5 . 1 1 73 73 ASP H H 73 8.427 8.427 8.494 -0.067 18916 2249 1 5 . 1 1 74 74 TRP N N 74 121.252 121.252 121.685 -0.433 18916 2250 1 5 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.205 -0.587 18916 2251 1 5 . 1 1 74 74 TRP C C 74 178.472 178.472 177.253 1.219 18916 2252 1 5 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.475 -0.460 18916 2253 1 5 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.236 -0.506 18916 2254 1 5 . 1 1 74 74 TRP H H 74 7.833 7.833 7.535 0.298 18916 2255 1 5 . 1 1 75 75 ILE N N 75 116.185 116.185 118.989 -2.804 18916 2256 1 5 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.732 -0.488 18916 2257 1 5 . 1 1 75 75 ILE C C 75 176.728 176.728 178.115 -1.387 18916 2258 1 5 . 1 1 75 75 ILE CA C 75 62.895 62.895 63.954 -1.059 18916 2259 1 5 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.916 -0.695 18916 2260 1 5 . 1 1 75 75 ILE H H 75 6.969 6.969 7.358 -0.389 18916 2261 1 5 . 1 1 76 76 VAL N N 76 117.042 117.042 120.418 -3.376 18916 2262 1 5 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.426 -0.230 18916 2263 1 5 . 1 1 76 76 VAL C C 76 178.675 178.675 177.796 0.879 18916 2264 1 5 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.060 -0.115 18916 2265 1 5 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.468 1.177 18916 2266 1 5 . 1 1 76 76 VAL H H 76 7.056 7.056 7.535 -0.479 18916 2267 1 5 . 1 1 77 77 ASP N N 77 120.009 120.009 118.021 1.988 18916 2268 1 5 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.351 -0.047 18916 2269 1 5 . 1 1 77 77 ASP C C 77 178.515 178.515 178.175 0.340 18916 2270 1 5 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.247 -0.249 18916 2271 1 5 . 1 1 77 77 ASP CB C 77 38.850 38.850 41.149 -2.299 18916 2272 1 5 . 1 1 77 77 ASP H H 77 9.171 9.171 8.000 1.171 18916 2273 1 5 . 1 1 78 78 SER N N 78 117.973 117.973 115.719 2.254 18916 2274 1 5 . 1 1 78 78 SER HA H 78 4.391 4.391 4.042 0.349 18916 2275 1 5 . 1 1 78 78 SER C C 78 175.290 175.290 176.373 -1.083 18916 2276 1 5 . 1 1 78 78 SER CA C 78 62.948 62.948 61.627 1.321 18916 2277 1 5 . 1 1 78 78 SER CB C 78 63.080 63.080 62.948 0.132 18916 2278 1 5 . 1 1 78 78 SER H H 78 7.056 7.056 7.485 -0.429 18916 2279 1 5 . 1 1 79 79 VAL N N 79 119.889 119.889 122.905 -3.016 18916 2280 1 5 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.476 -0.568 18916 2281 1 5 . 1 1 79 79 VAL C C 79 179.169 179.169 177.941 1.228 18916 2282 1 5 . 1 1 79 79 VAL CA C 79 66.864 66.864 66.184 0.680 18916 2283 1 5 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.248 -0.418 18916 2284 1 5 . 1 1 79 79 VAL H H 79 7.596 7.596 7.620 -0.024 18916 2285 1 5 . 1 1 80 80 LYS N N 80 121.062 121.062 119.285 1.777 18916 2286 1 5 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.001 -0.111 18916 2287 1 5 . 1 1 80 80 LYS C C 80 178.806 178.806 178.611 0.195 18916 2288 1 5 . 1 1 80 80 LYS CA C 80 59.779 59.779 59.081 0.697 18916 2289 1 5 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.251 0.080 18916 2290 1 5 . 1 1 80 80 LYS H H 80 7.946 7.946 7.355 0.591 18916 2291 1 5 . 1 1 81 81 GLU N N 81 115.870 115.870 116.519 -0.649 18916 2292 1 5 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.310 -0.182 18916 2293 1 5 . 1 1 81 81 GLU C C 81 174.912 174.912 176.587 -1.675 18916 2294 1 5 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.888 0.582 18916 2295 1 5 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.521 0.092 18916 2296 1 5 . 1 1 81 81 GLU H H 81 8.063 8.063 7.821 0.242 18916 2297 1 5 . 1 1 82 82 ALA N N 82 122.380 122.380 120.514 1.866 18916 2298 1 5 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.847 -0.139 18916 2299 1 5 . 1 1 82 82 ALA C C 82 175.711 175.711 176.191 -0.480 18916 2300 1 5 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.369 -0.908 18916 2301 1 5 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.289 -0.708 18916 2302 1 5 . 1 1 82 82 ALA H H 82 7.931 7.931 7.761 0.170 18916 2303 1 5 . 1 1 83 83 ARG N N 83 115.619 115.619 114.930 0.689 18916 2304 1 5 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.606 -0.416 18916 2305 1 5 . 1 1 83 83 ARG C C 83 172.050 172.050 173.893 -1.843 18916 2306 1 5 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.834 1.327 18916 2307 1 5 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.553 -0.198 18916 2308 1 5 . 1 1 83 83 ARG H H 83 8.165 8.165 7.580 0.585 18916 2309 1 5 . 1 1 84 84 LEU N N 84 120.648 120.648 121.858 -1.210 18916 2310 1 5 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.270 -0.554 18916 2311 1 5 . 1 1 84 84 LEU C C 84 176.917 176.917 175.876 1.041 18916 2312 1 5 . 1 1 84 84 LEU CA C 84 54.985 54.985 53.377 1.607 18916 2313 1 5 . 1 1 84 84 LEU CB C 84 41.311 41.311 42.562 -1.250 18916 2314 1 5 . 1 1 84 84 LEU H H 84 8.325 8.325 8.370 -0.045 18916 2315 1 5 . 1 1 85 85 LEU N N 85 132.955 132.955 129.582 3.373 18916 2316 1 5 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.968 -0.371 18916 2317 1 5 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.517 2.131 18916 2318 1 5 . 1 1 85 85 LEU CB C 85 40.363 40.363 42.753 -2.390 18916 2319 1 5 . 1 1 85 85 LEU H H 85 7.946 7.946 8.366 -0.420 18916 2320 1 5 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.765 -0.180 18916 2321 1 5 . 1 1 86 86 PRO C C 86 178.835 178.835 178.349 0.486 18916 2322 1 5 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.025 0.750 18916 2323 1 5 . 1 1 86 86 PRO CB C 86 31.549 31.549 32.440 -0.891 18916 2324 1 5 . 1 1 87 87 TRP N N 87 128.323 128.323 124.050 4.273 18916 2325 1 5 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.896 -0.261 18916 2326 1 5 . 1 1 87 87 TRP C C 87 177.963 177.963 177.005 0.958 18916 2327 1 5 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.881 -0.328 18916 2328 1 5 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.814 -0.853 18916 2329 1 5 . 1 1 87 87 TRP H H 87 8.369 8.369 8.801 -0.432 18916 2330 1 5 . 1 1 88 88 GLN N N 88 120.928 120.928 118.649 2.279 18916 2331 1 5 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.366 -0.461 18916 2332 1 5 . 1 1 88 88 GLN C C 88 178.196 178.196 177.532 0.664 18916 2333 1 5 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.839 2.083 18916 2334 1 5 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.251 -0.791 18916 2335 1 5 . 1 1 88 88 GLN H H 88 8.354 8.354 7.852 0.502 18916 2336 1 5 . 1 1 89 89 ASN N N 89 116.452 116.452 118.208 -1.756 18916 2337 1 5 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.435 -0.136 18916 2338 1 5 . 1 1 89 89 ASN C C 89 174.752 174.752 176.303 -1.551 18916 2339 1 5 . 1 1 89 89 ASN CA C 89 54.131 54.131 55.423 -1.292 18916 2340 1 5 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.706 -1.345 18916 2341 1 5 . 1 1 89 89 ASN H H 89 7.304 7.304 7.726 -0.422 18916 2342 1 5 . 1 1 90 90 TYR N N 90 118.336 118.336 116.163 2.173 18916 2343 1 5 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.611 0.003 18916 2344 1 5 . 1 1 90 90 TYR C C 90 174.534 174.534 175.179 -0.645 18916 2345 1 5 . 1 1 90 90 TYR CA C 90 57.534 57.534 56.946 0.588 18916 2346 1 5 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.739 1.414 18916 2347 1 5 . 1 1 90 90 TYR H H 90 8.048 8.048 7.733 0.315 18916 2348 1 5 . 1 1 91 91 SER N N 91 114.053 114.053 116.387 -2.334 18916 2349 1 5 . 1 1 91 91 SER HA H 91 5.015 5.015 4.725 0.290 18916 2350 1 5 . 1 1 91 91 SER C C 91 176.205 176.205 175.307 0.898 18916 2351 1 5 . 1 1 91 91 SER CA C 91 58.037 58.037 58.165 -0.128 18916 2352 1 5 . 1 1 91 91 SER CB C 91 64.342 64.342 63.159 1.183 18916 2353 1 5 . 1 1 91 91 SER H H 91 7.012 7.012 7.747 -0.735 18916 2354 1 5 . 1 1 92 92 LEU N N 92 126.106 126.106 128.993 -2.887 18916 2355 1 5 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.398 0.207 18916 2356 1 5 . 1 1 92 92 LEU C C 92 177.687 177.687 178.545 -0.858 18916 2357 1 5 . 1 1 92 92 LEU CA C 92 55.405 55.405 56.506 -1.101 18916 2358 1 5 . 1 1 92 92 LEU CB C 92 42.887 42.887 42.236 0.651 18916 2359 1 5 . 1 1 92 92 LEU H H 92 8.777 8.777 8.797 -0.020 18916 2360 1 5 . 1 1 93 93 THR N N 93 112.458 112.458 113.666 -1.208 18916 2361 1 5 . 1 1 93 93 THR HA H 93 4.489 4.489 4.052 0.437 18916 2362 1 5 . 1 1 93 93 THR C C 93 173.851 173.851 175.627 -1.776 18916 2363 1 5 . 1 1 93 93 THR CA C 93 61.318 61.318 65.657 -4.339 18916 2364 1 5 . 1 1 93 93 THR CB C 93 69.853 69.853 68.940 0.913 18916 2365 1 5 . 1 1 93 93 THR H H 93 8.252 8.252 7.905 0.347 18916 2366 1 6 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.611 -0.829 18916 2367 1 6 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.453 1.425 18916 2368 1 6 . 1 1 4 4 GLN CB C 4 29.441 29.441 29.484 -0.043 18916 2369 1 6 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.507 0.047 18916 2370 1 6 . 1 1 7 7 LYS C C 7 178.298 178.298 177.305 0.993 18916 2371 1 6 . 1 1 7 7 LYS CA C 7 54.750 54.750 55.693 -0.943 18916 2372 1 6 . 1 1 7 7 LYS CB C 7 32.593 32.593 32.325 0.268 18916 2373 1 6 . 1 1 8 8 ILE N N 8 119.676 119.676 121.917 -2.241 18916 2374 1 6 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.634 -0.050 18916 2375 1 6 . 1 1 8 8 ILE C C 8 177.164 177.164 176.441 0.723 18916 2376 1 6 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.683 1.229 18916 2377 1 6 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.993 0.981 18916 2378 1 6 . 1 1 8 8 ILE H H 8 7.633 7.633 7.608 0.025 18916 2379 1 6 . 1 1 9 9 PHE N N 9 113.639 113.639 112.868 0.771 18916 2380 1 6 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.806 0.106 18916 2381 1 6 . 1 1 9 9 PHE C C 9 174.520 174.520 176.417 -1.897 18916 2382 1 6 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.269 0.770 18916 2383 1 6 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.419 -0.705 18916 2384 1 6 . 1 1 9 9 PHE H H 9 8.403 8.403 7.661 0.742 18916 2385 1 6 . 1 1 10 10 LYS N N 10 120.104 120.104 122.447 -2.343 18916 2386 1 6 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.315 -0.172 18916 2387 1 6 . 1 1 10 10 LYS C C 10 177.600 177.600 177.614 -0.014 18916 2388 1 6 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.888 -0.380 18916 2389 1 6 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.357 0.083 18916 2390 1 6 . 1 1 10 10 LYS H H 10 7.328 7.328 7.605 -0.277 18916 2391 1 6 . 1 1 11 11 ASN N N 11 116.960 116.960 113.732 3.228 18916 2392 1 6 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.770 -0.225 18916 2393 1 6 . 1 1 11 11 ASN C C 11 175.566 175.566 175.311 0.255 18916 2394 1 6 . 1 1 11 11 ASN CA C 11 55.479 55.479 52.785 2.695 18916 2395 1 6 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.076 -0.548 18916 2396 1 6 . 1 1 11 11 ASN H H 11 8.984 8.984 8.710 0.274 18916 2397 1 6 . 1 1 12 12 CYS N N 12 118.344 118.344 119.986 -1.642 18916 2398 1 6 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.560 0.566 18916 2399 1 6 . 1 1 12 12 CYS C C 12 175.014 175.014 173.117 1.897 18916 2400 1 6 . 1 1 12 12 CYS CA C 12 59.549 59.549 58.495 1.054 18916 2401 1 6 . 1 1 12 12 CYS CB C 12 29.319 29.319 31.620 -2.301 18916 2402 1 6 . 1 1 12 12 CYS H H 12 8.460 8.460 7.837 0.623 18916 2403 1 6 . 1 1 13 13 VAL N N 13 128.765 128.765 124.203 4.562 18916 2404 1 6 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.570 -0.181 18916 2405 1 6 . 1 1 13 13 VAL C C 13 174.912 174.912 174.690 0.222 18916 2406 1 6 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.544 0.750 18916 2407 1 6 . 1 1 13 13 VAL CB C 13 33.468 33.468 33.217 0.251 18916 2408 1 6 . 1 1 13 13 VAL H H 13 9.878 9.878 8.696 1.182 18916 2409 1 6 . 1 1 14 14 ILE N N 14 128.270 128.270 125.692 2.578 18916 2410 1 6 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.154 0.046 18916 2411 1 6 . 1 1 14 14 ILE C C 14 174.098 174.098 175.467 -1.369 18916 2412 1 6 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.801 0.503 18916 2413 1 6 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.300 1.244 18916 2414 1 6 . 1 1 14 14 ILE H H 14 8.841 8.841 8.474 0.367 18916 2415 1 6 . 1 1 15 15 TYR N N 15 125.475 125.475 129.071 -3.596 18916 2416 1 6 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.407 -0.298 18916 2417 1 6 . 1 1 15 15 TYR C C 15 173.023 173.023 173.773 -0.750 18916 2418 1 6 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.753 0.133 18916 2419 1 6 . 1 1 15 15 TYR CB C 15 42.813 42.813 42.446 0.367 18916 2420 1 6 . 1 1 15 15 TYR H H 15 8.023 8.023 9.193 -1.170 18916 2421 1 6 . 1 1 16 16 ILE N N 16 128.262 128.262 124.790 3.472 18916 2422 1 6 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.319 0.048 18916 2423 1 6 . 1 1 16 16 ILE C C 16 173.895 173.895 173.825 0.070 18916 2424 1 6 . 1 1 16 16 ILE CA C 16 59.688 59.688 59.816 -0.128 18916 2425 1 6 . 1 1 16 16 ILE CB C 16 36.912 36.912 39.598 -2.686 18916 2426 1 6 . 1 1 16 16 ILE H H 16 8.708 8.708 8.102 0.606 18916 2427 1 6 . 1 1 17 17 ASN N N 17 126.842 126.842 125.295 1.547 18916 2428 1 6 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.735 -0.074 18916 2429 1 6 . 1 1 17 17 ASN C C 17 174.171 174.171 174.696 -0.525 18916 2430 1 6 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.457 1.430 18916 2431 1 6 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.649 1.295 18916 2432 1 6 . 1 1 17 17 ASN H H 17 8.974 8.974 8.504 0.470 18916 2433 1 6 . 1 1 18 18 GLY N N 18 113.508 113.508 111.692 1.816 18916 2434 1 6 . 1 1 18 18 GLY C C 18 172.529 172.529 173.339 -0.810 18916 2435 1 6 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.865 0.320 18916 2436 1 6 . 1 1 18 18 GLY H H 18 8.727 8.727 8.215 0.512 18916 2437 1 6 . 1 1 19 19 TYR N N 19 121.021 121.021 122.966 -1.945 18916 2438 1 6 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.660 -0.210 18916 2439 1 6 . 1 1 19 19 TYR C C 19 176.147 176.147 174.967 1.180 18916 2440 1 6 . 1 1 19 19 TYR CA C 19 58.982 58.982 57.216 1.766 18916 2441 1 6 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.824 -0.123 18916 2442 1 6 . 1 1 19 19 TYR H H 19 8.651 8.651 8.565 0.086 18916 2443 1 6 . 1 1 20 20 THR N N 20 117.677 117.677 115.438 2.239 18916 2444 1 6 . 1 1 20 20 THR HA H 20 4.279 4.279 4.580 -0.301 18916 2445 1 6 . 1 1 20 20 THR C C 20 171.803 171.803 173.791 -1.988 18916 2446 1 6 . 1 1 20 20 THR CA C 20 59.986 59.986 60.220 -0.234 18916 2447 1 6 . 1 1 20 20 THR CB C 20 73.362 73.362 70.969 2.393 18916 2448 1 6 . 1 1 20 20 THR H H 20 7.242 7.242 8.389 -1.147 18916 2449 1 6 . 1 1 21 21 LYS N N 21 120.592 120.592 125.055 -4.463 18916 2450 1 6 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.735 -0.688 18916 2451 1 6 . 1 1 21 21 LYS CA C 21 54.030 54.030 53.211 0.819 18916 2452 1 6 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.840 1.986 18916 2453 1 6 . 1 1 21 21 LYS H H 21 7.718 7.718 8.554 -0.836 18916 2454 1 6 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.492 0.098 18916 2455 1 6 . 1 1 22 22 PRO C C 22 175.043 175.043 176.985 -1.942 18916 2456 1 6 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.412 0.536 18916 2457 1 6 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.671 1.869 18916 2458 1 6 . 1 1 23 23 GLY N N 23 105.352 105.352 107.293 -1.941 18916 2459 1 6 . 1 1 23 23 GLY C C 23 172.762 172.762 175.772 -3.010 18916 2460 1 6 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.391 0.489 18916 2461 1 6 . 1 1 23 23 GLY H H 23 8.356 8.356 8.557 -0.201 18916 2462 1 6 . 1 1 24 24 ARG N N 24 119.274 119.274 122.187 -2.913 18916 2463 1 6 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.746 -0.471 18916 2464 1 6 . 1 1 24 24 ARG C C 24 176.263 176.263 178.111 -1.848 18916 2465 1 6 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.991 0.929 18916 2466 1 6 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.569 0.762 18916 2467 1 6 . 1 1 24 24 ARG H H 24 7.813 7.813 8.757 -0.944 18916 2468 1 6 . 1 1 25 25 LEU N N 25 116.403 116.403 117.096 -0.693 18916 2469 1 6 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.248 -0.558 18916 2470 1 6 . 1 1 25 25 LEU C C 25 179.562 179.562 178.770 0.792 18916 2471 1 6 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.389 1.002 18916 2472 1 6 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.393 0.451 18916 2473 1 6 . 1 1 25 25 LEU H H 25 8.156 8.156 7.792 0.364 18916 2474 1 6 . 1 1 26 26 GLN N N 26 118.294 118.294 119.087 -0.793 18916 2475 1 6 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.083 -0.117 18916 2476 1 6 . 1 1 26 26 GLN C C 26 179.358 179.358 178.453 0.905 18916 2477 1 6 . 1 1 26 26 GLN CA C 26 59.322 59.322 58.182 1.139 18916 2478 1 6 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.314 -0.257 18916 2479 1 6 . 1 1 26 26 GLN H H 26 7.423 7.423 7.501 -0.078 18916 2480 1 6 . 1 1 27 27 LEU N N 27 119.419 119.419 119.770 -0.351 18916 2481 1 6 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.723 0.205 18916 2482 1 6 . 1 1 27 27 LEU C C 27 178.777 178.777 179.004 -0.227 18916 2483 1 6 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.329 -0.305 18916 2484 1 6 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.579 0.311 18916 2485 1 6 . 1 1 27 27 LEU H H 27 8.127 8.127 7.778 0.349 18916 2486 1 6 . 1 1 28 28 HIS N N 28 118.332 118.332 117.253 1.079 18916 2487 1 6 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.968 -0.226 18916 2488 1 6 . 1 1 28 28 HIS C C 28 177.121 177.121 177.742 -0.621 18916 2489 1 6 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.593 -1.795 18916 2490 1 6 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.508 -0.066 18916 2491 1 6 . 1 1 28 28 HIS H H 28 8.727 8.727 7.978 0.749 18916 2492 1 6 . 1 1 29 29 GLU N N 29 116.699 116.699 119.529 -2.830 18916 2493 1 6 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.960 0.018 18916 2494 1 6 . 1 1 29 29 GLU C C 29 178.951 178.951 178.940 0.011 18916 2495 1 6 . 1 1 29 29 GLU CA C 29 59.276 59.276 58.950 0.326 18916 2496 1 6 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.194 0.490 18916 2497 1 6 . 1 1 29 29 GLU H H 29 7.518 7.518 7.802 -0.284 18916 2498 1 6 . 1 1 30 30 MET N N 30 118.090 118.090 118.399 -0.309 18916 2499 1 6 . 1 1 30 30 MET HA H 30 4.055 4.055 4.233 -0.178 18916 2500 1 6 . 1 1 30 30 MET C C 30 177.992 177.992 179.106 -1.114 18916 2501 1 6 . 1 1 30 30 MET CA C 30 60.040 60.040 57.361 2.679 18916 2502 1 6 . 1 1 30 30 MET CB C 30 34.522 34.522 31.734 2.788 18916 2503 1 6 . 1 1 30 30 MET H H 30 7.766 7.766 7.855 -0.089 18916 2504 1 6 . 1 1 31 31 ILE N N 31 118.458 118.458 119.647 -1.189 18916 2505 1 6 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.402 -0.150 18916 2506 1 6 . 1 1 31 31 ILE C C 31 178.007 178.007 178.193 -0.186 18916 2507 1 6 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.555 -0.664 18916 2508 1 6 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.365 0.817 18916 2509 1 6 . 1 1 31 31 ILE H H 31 8.337 8.337 8.228 0.109 18916 2510 1 6 . 1 1 32 32 VAL N N 32 117.878 117.878 120.274 -2.396 18916 2511 1 6 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.204 -0.201 18916 2512 1 6 . 1 1 32 32 VAL C C 32 180.884 180.884 179.249 1.635 18916 2513 1 6 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.670 -0.294 18916 2514 1 6 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.238 0.759 18916 2515 1 6 . 1 1 32 32 VAL H H 32 7.888 7.888 7.597 0.291 18916 2516 1 6 . 1 1 33 33 LEU N N 33 123.609 123.609 119.196 4.413 18916 2517 1 6 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.089 -0.016 18916 2518 1 6 . 1 1 33 33 LEU C C 33 177.498 177.498 177.962 -0.464 18916 2519 1 6 . 1 1 33 33 LEU CA C 33 57.662 57.662 57.250 0.412 18916 2520 1 6 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.643 1.647 18916 2521 1 6 . 1 1 33 33 LEU H H 33 8.281 8.281 8.090 0.191 18916 2522 1 6 . 1 1 34 34 HIS N N 34 113.272 113.272 113.897 -0.625 18916 2523 1 6 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.724 -0.009 18916 2524 1 6 . 1 1 34 34 HIS C C 34 175.464 175.464 175.487 -0.023 18916 2525 1 6 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.281 1.115 18916 2526 1 6 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.156 0.612 18916 2527 1 6 . 1 1 34 34 HIS H H 34 7.319 7.319 7.671 -0.352 18916 2528 1 6 . 1 1 35 35 GLY N N 35 104.307 104.307 106.664 -2.357 18916 2529 1 6 . 1 1 35 35 GLY C C 35 174.985 174.985 174.838 0.147 18916 2530 1 6 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.497 1.817 18916 2531 1 6 . 1 1 35 35 GLY H H 35 7.392 7.392 8.081 -0.689 18916 2532 1 6 . 1 1 36 36 GLY N N 36 108.630 108.630 108.439 0.191 18916 2533 1 6 . 1 1 36 36 GLY C C 36 171.701 171.701 173.400 -1.699 18916 2534 1 6 . 1 1 36 36 GLY CA C 36 44.392 44.392 44.051 0.341 18916 2535 1 6 . 1 1 36 36 GLY H H 36 8.763 8.763 8.313 0.450 18916 2536 1 6 . 1 1 37 37 LYS N N 37 115.119 115.119 119.044 -3.925 18916 2537 1 6 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.993 -0.379 18916 2538 1 6 . 1 1 37 37 LYS C C 37 174.302 174.302 175.751 -1.449 18916 2539 1 6 . 1 1 37 37 LYS CA C 37 54.319 54.319 53.765 0.554 18916 2540 1 6 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.436 0.814 18916 2541 1 6 . 1 1 37 37 LYS H H 37 7.406 7.406 8.082 -0.676 18916 2542 1 6 . 1 1 38 38 PHE N N 38 117.196 117.196 117.475 -0.279 18916 2543 1 6 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.551 0.337 18916 2544 1 6 . 1 1 38 38 PHE C C 38 173.604 173.604 173.839 -0.235 18916 2545 1 6 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.227 -0.375 18916 2546 1 6 . 1 1 38 38 PHE CB C 38 43.379 43.379 42.172 1.207 18916 2547 1 6 . 1 1 38 38 PHE H H 38 7.844 7.844 8.237 -0.393 18916 2548 1 6 . 1 1 39 39 LEU N N 39 119.576 119.576 122.129 -2.553 18916 2549 1 6 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.523 0.081 18916 2550 1 6 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.280 -0.619 18916 2551 1 6 . 1 1 39 39 LEU CB C 39 45.901 45.901 45.555 0.346 18916 2552 1 6 . 1 1 39 39 LEU H H 39 8.223 8.223 8.363 -0.140 18916 2553 1 6 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.563 0.076 18916 2554 1 6 . 1 1 40 40 HIS C C 40 174.694 174.694 174.717 -0.023 18916 2555 1 6 . 1 1 40 40 HIS CA C 40 58.670 58.670 56.763 1.907 18916 2556 1 6 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.892 0.998 18916 2557 1 6 . 1 1 41 41 TYR N N 41 115.005 115.005 118.664 -3.659 18916 2558 1 6 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.496 0.164 18916 2559 1 6 . 1 1 41 41 TYR C C 41 173.023 173.023 173.690 -0.667 18916 2560 1 6 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.435 -1.537 18916 2561 1 6 . 1 1 41 41 TYR CB C 41 40.313 40.313 40.454 -0.141 18916 2562 1 6 . 1 1 41 41 TYR H H 41 7.363 7.363 7.941 -0.578 18916 2563 1 6 . 1 1 42 42 LEU N N 42 121.687 121.687 124.569 -2.882 18916 2564 1 6 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.360 -0.472 18916 2565 1 6 . 1 1 42 42 LEU CA C 42 54.041 54.041 53.835 0.206 18916 2566 1 6 . 1 1 42 42 LEU CB C 42 41.096 41.096 42.438 -1.342 18916 2567 1 6 . 1 1 42 42 LEU H H 42 8.252 8.252 7.661 0.591 18916 2568 1 6 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.626 -0.392 18916 2569 1 6 . 1 1 46 46 LYS CA C 46 56.885 56.885 56.321 0.564 18916 2570 1 6 . 1 1 46 46 LYS CB C 46 32.542 32.542 31.298 1.244 18916 2571 1 6 . 1 1 47 47 THR HA H 47 4.168 4.168 4.179 -0.011 18916 2572 1 6 . 1 1 47 47 THR C C 47 174.186 174.186 173.895 0.291 18916 2573 1 6 . 1 1 47 47 THR CA C 47 62.706 62.706 63.763 -1.056 18916 2574 1 6 . 1 1 47 47 THR CB C 47 69.762 69.762 69.264 0.498 18916 2575 1 6 . 1 1 48 48 VAL N N 48 123.218 123.218 119.495 3.723 18916 2576 1 6 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.472 -0.629 18916 2577 1 6 . 1 1 48 48 VAL C C 48 174.985 174.985 174.425 0.560 18916 2578 1 6 . 1 1 48 48 VAL CA C 48 62.146 62.146 59.870 2.276 18916 2579 1 6 . 1 1 48 48 VAL CB C 48 33.167 33.167 34.387 -1.220 18916 2580 1 6 . 1 1 48 48 VAL H H 48 7.771 7.771 7.064 0.707 18916 2581 1 6 . 1 1 49 49 THR N N 49 116.982 116.982 118.629 -1.647 18916 2582 1 6 . 1 1 49 49 THR HA H 49 4.319 4.319 4.443 -0.124 18916 2583 1 6 . 1 1 49 49 THR C C 49 176.118 176.118 174.166 1.952 18916 2584 1 6 . 1 1 49 49 THR CA C 49 62.831 62.831 61.785 1.046 18916 2585 1 6 . 1 1 49 49 THR CB C 49 69.114 69.114 70.026 -0.912 18916 2586 1 6 . 1 1 49 49 THR H H 49 9.798 9.798 8.237 1.561 18916 2587 1 6 . 1 1 50 50 HIS N N 50 121.799 121.799 119.294 2.505 18916 2588 1 6 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.276 -0.360 18916 2589 1 6 . 1 1 50 50 HIS C C 50 172.849 172.849 173.613 -0.764 18916 2590 1 6 . 1 1 50 50 HIS CA C 50 56.654 56.654 53.580 3.074 18916 2591 1 6 . 1 1 50 50 HIS CB C 50 34.649 34.649 32.729 1.920 18916 2592 1 6 . 1 1 50 50 HIS H H 50 7.596 7.596 7.791 -0.195 18916 2593 1 6 . 1 1 51 51 ILE N N 51 123.013 123.013 123.680 -0.667 18916 2594 1 6 . 1 1 51 51 ILE HA H 51 4.980 4.980 5.086 -0.106 18916 2595 1 6 . 1 1 51 51 ILE C C 51 174.505 174.505 174.735 -0.230 18916 2596 1 6 . 1 1 51 51 ILE CA C 51 58.967 58.967 59.794 -0.827 18916 2597 1 6 . 1 1 51 51 ILE CB C 51 39.153 39.153 41.423 -2.270 18916 2598 1 6 . 1 1 51 51 ILE H H 51 8.996 8.996 8.474 0.522 18916 2599 1 6 . 1 1 52 52 VAL N N 52 127.413 127.413 126.810 0.603 18916 2600 1 6 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.635 0.667 18916 2601 1 6 . 1 1 52 52 VAL C C 52 174.084 174.084 174.361 -0.277 18916 2602 1 6 . 1 1 52 52 VAL CA C 52 59.207 59.207 61.556 -2.349 18916 2603 1 6 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.312 0.947 18916 2604 1 6 . 1 1 52 52 VAL H H 52 8.821 8.821 8.785 0.036 18916 2605 1 6 . 1 1 53 53 ALA N N 53 127.601 127.601 129.767 -2.166 18916 2606 1 6 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.113 -0.491 18916 2607 1 6 . 1 1 53 53 ALA C C 53 174.680 174.680 176.098 -1.418 18916 2608 1 6 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.791 0.119 18916 2609 1 6 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.662 0.498 18916 2610 1 6 . 1 1 53 53 ALA H H 53 8.967 8.967 8.672 0.295 18916 2611 1 6 . 1 1 54 54 SER N N 54 113.005 113.005 117.501 -4.496 18916 2612 1 6 . 1 1 54 54 SER HA H 54 4.657 4.657 4.476 0.181 18916 2613 1 6 . 1 1 54 54 SER C C 54 174.229 174.229 174.515 -0.286 18916 2614 1 6 . 1 1 54 54 SER CA C 54 59.671 59.671 59.226 0.445 18916 2615 1 6 . 1 1 54 54 SER CB C 54 64.852 64.852 63.913 0.939 18916 2616 1 6 . 1 1 54 54 SER H H 54 9.303 9.303 8.811 0.492 18916 2617 1 6 . 1 1 55 55 ASN N N 55 117.475 117.475 119.373 -1.898 18916 2618 1 6 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.889 -0.288 18916 2619 1 6 . 1 1 55 55 ASN C C 55 173.052 173.052 173.445 -0.393 18916 2620 1 6 . 1 1 55 55 ASN CA C 55 53.125 53.125 53.092 0.033 18916 2621 1 6 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.120 0.490 18916 2622 1 6 . 1 1 55 55 ASN H H 55 7.917 7.917 8.392 -0.475 18916 2623 1 6 . 1 1 56 56 LEU N N 56 122.146 122.146 125.844 -3.698 18916 2624 1 6 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.733 0.067 18916 2625 1 6 . 1 1 56 56 LEU CA C 56 51.905 51.905 52.195 -0.290 18916 2626 1 6 . 1 1 56 56 LEU CB C 56 44.592 44.592 42.207 2.385 18916 2627 1 6 . 1 1 56 56 LEU H H 56 8.792 8.792 8.512 0.280 18916 2628 1 6 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.492 0.073 18916 2629 1 6 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.629 -0.439 18916 2630 1 6 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.411 0.088 18916 2631 1 6 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.924 -0.004 18916 2632 1 6 . 1 1 58 58 LEU C C 58 178.806 178.806 178.909 -0.103 18916 2633 1 6 . 1 1 58 58 LEU CA C 58 59.172 59.172 59.125 0.047 18916 2634 1 6 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.575 0.014 18916 2635 1 6 . 1 1 59 59 LYS N N 59 115.039 115.039 119.204 -4.165 18916 2636 1 6 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.097 -0.125 18916 2637 1 6 . 1 1 59 59 LYS C C 59 179.053 179.053 178.487 0.566 18916 2638 1 6 . 1 1 59 59 LYS CA C 59 59.524 59.524 59.107 0.417 18916 2639 1 6 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.519 0.892 18916 2640 1 6 . 1 1 59 59 LYS H H 59 8.763 8.763 8.350 0.413 18916 2641 1 6 . 1 1 60 60 LYS N N 60 116.433 116.433 118.642 -2.209 18916 2642 1 6 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.843 0.117 18916 2643 1 6 . 1 1 60 60 LYS C C 60 176.874 176.874 179.196 -2.322 18916 2644 1 6 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.063 -2.342 18916 2645 1 6 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.657 0.276 18916 2646 1 6 . 1 1 60 60 LYS H H 60 7.158 7.158 8.243 -1.085 18916 2647 1 6 . 1 1 61 61 ARG N N 61 120.369 120.369 120.879 -0.510 18916 2648 1 6 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.223 -0.399 18916 2649 1 6 . 1 1 61 61 ARG C C 61 179.213 179.213 178.191 1.022 18916 2650 1 6 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.331 0.483 18916 2651 1 6 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.248 -0.378 18916 2652 1 6 . 1 1 61 61 ARG H H 61 7.902 7.902 7.917 -0.015 18916 2653 1 6 . 1 1 62 62 ILE N N 62 117.956 117.956 118.185 -0.229 18916 2654 1 6 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.800 0.008 18916 2655 1 6 . 1 1 62 62 ILE C C 62 178.966 178.966 178.511 0.455 18916 2656 1 6 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.532 -0.370 18916 2657 1 6 . 1 1 62 62 ILE CB C 62 38.019 38.019 38.164 -0.145 18916 2658 1 6 . 1 1 62 62 ILE H H 62 7.727 7.727 7.465 0.262 18916 2659 1 6 . 1 1 63 63 GLU N N 63 121.877 121.877 120.558 1.319 18916 2660 1 6 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.086 -0.136 18916 2661 1 6 . 1 1 63 63 GLU C C 63 178.792 178.792 178.849 -0.057 18916 2662 1 6 . 1 1 63 63 GLU CA C 63 59.302 59.302 59.140 0.162 18916 2663 1 6 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.574 0.248 18916 2664 1 6 . 1 1 63 63 GLU H H 63 7.713 7.713 8.065 -0.352 18916 2665 1 6 . 1 1 64 64 PHE N N 64 115.684 115.684 116.923 -1.239 18916 2666 1 6 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.899 0.179 18916 2667 1 6 . 1 1 64 64 PHE C C 64 175.886 175.886 175.141 0.745 18916 2668 1 6 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.809 -1.950 18916 2669 1 6 . 1 1 64 64 PHE CB C 64 37.431 37.431 37.474 -0.043 18916 2670 1 6 . 1 1 64 64 PHE H H 64 8.077 8.077 7.920 0.157 18916 2671 1 6 . 1 1 65 65 ALA N N 65 122.616 122.616 122.474 0.142 18916 2672 1 6 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.297 -0.133 18916 2673 1 6 . 1 1 65 65 ALA C C 65 178.356 178.356 178.472 -0.116 18916 2674 1 6 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.184 1.237 18916 2675 1 6 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.902 0.341 18916 2676 1 6 . 1 1 65 65 ALA H H 65 7.290 7.290 7.276 0.014 18916 2677 1 6 . 1 1 66 66 ASN N N 66 112.567 112.567 115.261 -2.694 18916 2678 1 6 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.580 0.025 18916 2679 1 6 . 1 1 66 66 ASN C C 66 174.374 174.374 175.499 -1.125 18916 2680 1 6 . 1 1 66 66 ASN CA C 66 53.354 53.354 55.508 -2.154 18916 2681 1 6 . 1 1 66 66 ASN CB C 66 37.919 37.919 39.151 -1.232 18916 2682 1 6 . 1 1 66 66 ASN H H 66 8.602 8.602 7.838 0.764 18916 2683 1 6 . 1 1 67 67 TYR N N 67 118.682 118.682 118.160 0.522 18916 2684 1 6 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.521 0.007 18916 2685 1 6 . 1 1 67 67 TYR C C 67 175.072 175.072 176.378 -1.306 18916 2686 1 6 . 1 1 67 67 TYR CA C 67 56.641 56.641 58.507 -1.866 18916 2687 1 6 . 1 1 67 67 TYR CB C 67 40.822 40.822 39.714 1.108 18916 2688 1 6 . 1 1 67 67 TYR H H 67 7.873 7.873 7.796 0.077 18916 2689 1 6 . 1 1 68 68 LYS N N 68 121.419 121.419 123.185 -1.766 18916 2690 1 6 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.340 -0.540 18916 2691 1 6 . 1 1 68 68 LYS C C 68 174.491 174.491 175.766 -1.275 18916 2692 1 6 . 1 1 68 68 LYS CA C 68 56.246 56.246 56.095 0.151 18916 2693 1 6 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.476 2.188 18916 2694 1 6 . 1 1 68 68 LYS H H 68 7.771 7.771 8.597 -0.826 18916 2695 1 6 . 1 1 69 69 VAL N N 69 126.113 126.113 122.558 3.555 18916 2696 1 6 . 1 1 69 69 VAL HA H 69 5.182 5.182 5.271 -0.089 18916 2697 1 6 . 1 1 69 69 VAL C C 69 176.365 176.365 175.558 0.807 18916 2698 1 6 . 1 1 69 69 VAL CA C 69 60.879 60.879 61.204 -0.325 18916 2699 1 6 . 1 1 69 69 VAL CB C 69 32.355 32.355 32.612 -0.257 18916 2700 1 6 . 1 1 69 69 VAL H H 69 8.384 8.384 7.973 0.411 18916 2701 1 6 . 1 1 70 70 VAL N N 70 120.358 120.358 119.880 0.478 18916 2702 1 6 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.175 0.202 18916 2703 1 6 . 1 1 70 70 VAL C C 70 174.040 174.040 175.236 -1.196 18916 2704 1 6 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.776 -0.927 18916 2705 1 6 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.745 1.008 18916 2706 1 6 . 1 1 70 70 VAL H H 70 9.390 9.390 8.768 0.622 18916 2707 1 6 . 1 1 71 71 SER N N 71 114.634 114.634 116.710 -2.076 18916 2708 1 6 . 1 1 71 71 SER HA H 71 5.630 5.630 5.510 0.120 18916 2709 1 6 . 1 1 71 71 SER CA C 71 60.584 60.584 55.768 4.816 18916 2710 1 6 . 1 1 71 71 SER CB C 71 60.367 60.367 62.264 -1.897 18916 2711 1 6 . 1 1 71 71 SER H H 71 8.354 8.354 8.196 0.158 18916 2712 1 6 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.285 -0.149 18916 2713 1 6 . 1 1 72 72 PRO C C 72 177.193 177.193 177.885 -0.692 18916 2714 1 6 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.528 -0.466 18916 2715 1 6 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.751 0.588 18916 2716 1 6 . 1 1 73 73 ASP N N 73 115.868 115.868 118.724 -2.856 18916 2717 1 6 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.363 -0.161 18916 2718 1 6 . 1 1 73 73 ASP C C 73 175.450 175.450 178.059 -2.609 18916 2719 1 6 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.310 -1.884 18916 2720 1 6 . 1 1 73 73 ASP CB C 73 39.355 39.355 40.125 -0.770 18916 2721 1 6 . 1 1 73 73 ASP H H 73 8.427 8.427 8.500 -0.073 18916 2722 1 6 . 1 1 74 74 TRP N N 74 121.252 121.252 121.193 0.059 18916 2723 1 6 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.440 -0.822 18916 2724 1 6 . 1 1 74 74 TRP C C 74 178.472 178.472 177.763 0.709 18916 2725 1 6 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.023 -0.008 18916 2726 1 6 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.350 -0.620 18916 2727 1 6 . 1 1 74 74 TRP H H 74 7.833 7.833 7.693 0.140 18916 2728 1 6 . 1 1 75 75 ILE N N 75 116.185 116.185 119.927 -3.742 18916 2729 1 6 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.695 -0.451 18916 2730 1 6 . 1 1 75 75 ILE C C 75 176.728 176.728 178.098 -1.370 18916 2731 1 6 . 1 1 75 75 ILE CA C 75 62.895 62.895 63.852 -0.958 18916 2732 1 6 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.907 -0.686 18916 2733 1 6 . 1 1 75 75 ILE H H 75 6.969 6.969 7.432 -0.463 18916 2734 1 6 . 1 1 76 76 VAL N N 76 117.042 117.042 120.238 -3.196 18916 2735 1 6 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.383 -0.187 18916 2736 1 6 . 1 1 76 76 VAL C C 76 178.675 178.675 177.713 0.962 18916 2737 1 6 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.288 -0.343 18916 2738 1 6 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.394 1.251 18916 2739 1 6 . 1 1 76 76 VAL H H 76 7.056 7.056 8.134 -1.078 18916 2740 1 6 . 1 1 77 77 ASP N N 77 120.009 120.009 117.975 2.034 18916 2741 1 6 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.358 -0.054 18916 2742 1 6 . 1 1 77 77 ASP C C 77 178.515 178.515 178.239 0.276 18916 2743 1 6 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.108 -0.110 18916 2744 1 6 . 1 1 77 77 ASP CB C 77 38.850 38.850 41.077 -2.227 18916 2745 1 6 . 1 1 77 77 ASP H H 77 9.171 9.171 8.008 1.163 18916 2746 1 6 . 1 1 78 78 SER N N 78 117.973 117.973 115.649 2.324 18916 2747 1 6 . 1 1 78 78 SER HA H 78 4.391 4.391 4.188 0.203 18916 2748 1 6 . 1 1 78 78 SER C C 78 175.290 175.290 176.457 -1.167 18916 2749 1 6 . 1 1 78 78 SER CA C 78 62.948 62.948 61.593 1.355 18916 2750 1 6 . 1 1 78 78 SER CB C 78 63.080 63.080 62.969 0.111 18916 2751 1 6 . 1 1 78 78 SER H H 78 7.056 7.056 7.595 -0.539 18916 2752 1 6 . 1 1 79 79 VAL N N 79 119.889 119.889 123.407 -3.518 18916 2753 1 6 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.712 -0.804 18916 2754 1 6 . 1 1 79 79 VAL C C 79 179.169 179.169 178.551 0.618 18916 2755 1 6 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.949 0.915 18916 2756 1 6 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.329 -0.499 18916 2757 1 6 . 1 1 79 79 VAL H H 79 7.596 7.596 7.735 -0.139 18916 2758 1 6 . 1 1 80 80 LYS N N 80 121.062 121.062 119.877 1.185 18916 2759 1 6 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.034 -0.144 18916 2760 1 6 . 1 1 80 80 LYS C C 80 178.806 178.806 178.406 0.400 18916 2761 1 6 . 1 1 80 80 LYS CA C 80 59.779 59.779 59.148 0.631 18916 2762 1 6 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.434 -0.103 18916 2763 1 6 . 1 1 80 80 LYS H H 80 7.946 7.946 7.601 0.345 18916 2764 1 6 . 1 1 81 81 GLU N N 81 115.870 115.870 115.354 0.516 18916 2765 1 6 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.409 -0.281 18916 2766 1 6 . 1 1 81 81 GLU C C 81 174.912 174.912 176.108 -1.196 18916 2767 1 6 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.371 1.099 18916 2768 1 6 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.854 -0.241 18916 2769 1 6 . 1 1 81 81 GLU H H 81 8.063 8.063 7.934 0.129 18916 2770 1 6 . 1 1 82 82 ALA N N 82 122.380 122.380 121.093 1.287 18916 2771 1 6 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.989 -0.281 18916 2772 1 6 . 1 1 82 82 ALA C C 82 175.711 175.711 176.003 -0.292 18916 2773 1 6 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.208 -0.747 18916 2774 1 6 . 1 1 82 82 ALA CB C 82 16.581 16.581 16.889 -0.308 18916 2775 1 6 . 1 1 82 82 ALA H H 82 7.931 7.931 7.871 0.060 18916 2776 1 6 . 1 1 83 83 ARG N N 83 115.619 115.619 115.120 0.499 18916 2777 1 6 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.548 -0.358 18916 2778 1 6 . 1 1 83 83 ARG C C 83 172.050 172.050 173.949 -1.899 18916 2779 1 6 . 1 1 83 83 ARG CA C 83 55.162 55.162 54.121 1.041 18916 2780 1 6 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.189 0.166 18916 2781 1 6 . 1 1 83 83 ARG H H 83 8.165 8.165 7.536 0.629 18916 2782 1 6 . 1 1 84 84 LEU N N 84 120.648 120.648 122.930 -2.282 18916 2783 1 6 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.414 -0.698 18916 2784 1 6 . 1 1 84 84 LEU C C 84 176.917 176.917 175.481 1.436 18916 2785 1 6 . 1 1 84 84 LEU CA C 84 54.985 54.985 53.377 1.608 18916 2786 1 6 . 1 1 84 84 LEU CB C 84 41.311 41.311 41.898 -0.587 18916 2787 1 6 . 1 1 84 84 LEU H H 84 8.325 8.325 8.440 -0.115 18916 2788 1 6 . 1 1 85 85 LEU N N 85 132.955 132.955 129.454 3.501 18916 2789 1 6 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.897 -0.300 18916 2790 1 6 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.630 2.018 18916 2791 1 6 . 1 1 85 85 LEU CB C 85 40.363 40.363 41.830 -1.466 18916 2792 1 6 . 1 1 85 85 LEU H H 85 7.946 7.946 8.303 -0.357 18916 2793 1 6 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.620 -0.035 18916 2794 1 6 . 1 1 86 86 PRO C C 86 178.835 178.835 178.426 0.409 18916 2795 1 6 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.184 0.591 18916 2796 1 6 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.529 0.020 18916 2797 1 6 . 1 1 87 87 TRP N N 87 128.323 128.323 126.623 1.700 18916 2798 1 6 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.768 -0.133 18916 2799 1 6 . 1 1 87 87 TRP C C 87 177.963 177.963 176.894 1.069 18916 2800 1 6 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.415 0.138 18916 2801 1 6 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.510 -0.549 18916 2802 1 6 . 1 1 87 87 TRP H H 87 8.369 8.369 8.823 -0.454 18916 2803 1 6 . 1 1 88 88 GLN N N 88 120.928 120.928 118.460 2.468 18916 2804 1 6 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.181 -0.276 18916 2805 1 6 . 1 1 88 88 GLN C C 88 178.196 178.196 177.288 0.908 18916 2806 1 6 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.668 2.254 18916 2807 1 6 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.458 -0.998 18916 2808 1 6 . 1 1 88 88 GLN H H 88 8.354 8.354 7.640 0.714 18916 2809 1 6 . 1 1 89 89 ASN N N 89 116.452 116.452 116.947 -0.495 18916 2810 1 6 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.491 -0.192 18916 2811 1 6 . 1 1 89 89 ASN C C 89 174.752 174.752 175.632 -0.880 18916 2812 1 6 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.686 -0.555 18916 2813 1 6 . 1 1 89 89 ASN CB C 89 37.361 37.361 39.139 -1.778 18916 2814 1 6 . 1 1 89 89 ASN H H 89 7.304 7.304 7.692 -0.388 18916 2815 1 6 . 1 1 90 90 TYR N N 90 118.336 118.336 116.826 1.510 18916 2816 1 6 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.565 0.049 18916 2817 1 6 . 1 1 90 90 TYR C C 90 174.534 174.534 175.128 -0.594 18916 2818 1 6 . 1 1 90 90 TYR CA C 90 57.534 57.534 57.302 0.232 18916 2819 1 6 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.917 1.236 18916 2820 1 6 . 1 1 90 90 TYR H H 90 8.048 8.048 7.639 0.409 18916 2821 1 6 . 1 1 91 91 SER N N 91 114.053 114.053 117.177 -3.124 18916 2822 1 6 . 1 1 91 91 SER HA H 91 5.015 5.015 4.753 0.262 18916 2823 1 6 . 1 1 91 91 SER C C 91 176.205 176.205 175.210 0.995 18916 2824 1 6 . 1 1 91 91 SER CA C 91 58.037 58.037 59.387 -1.350 18916 2825 1 6 . 1 1 91 91 SER CB C 91 64.342 64.342 62.941 1.401 18916 2826 1 6 . 1 1 91 91 SER H H 91 7.012 7.012 7.678 -0.666 18916 2827 1 6 . 1 1 92 92 LEU N N 92 126.106 126.106 125.982 0.124 18916 2828 1 6 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.606 -0.001 18916 2829 1 6 . 1 1 92 92 LEU C C 92 177.687 177.687 177.642 0.045 18916 2830 1 6 . 1 1 92 92 LEU CA C 92 55.405 55.405 54.670 0.735 18916 2831 1 6 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.521 1.366 18916 2832 1 6 . 1 1 92 92 LEU H H 92 8.777 8.777 8.482 0.295 18916 2833 1 6 . 1 1 93 93 THR N N 93 112.458 112.458 111.964 0.494 18916 2834 1 6 . 1 1 93 93 THR HA H 93 4.489 4.489 4.174 0.315 18916 2835 1 6 . 1 1 93 93 THR C C 93 173.851 173.851 174.696 -0.845 18916 2836 1 6 . 1 1 93 93 THR CA C 93 61.318 61.318 63.797 -2.478 18916 2837 1 6 . 1 1 93 93 THR CB C 93 69.853 69.853 68.994 0.859 18916 2838 1 6 . 1 1 93 93 THR H H 93 8.252 8.252 7.855 0.397 18916 2839 1 7 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.594 -0.812 18916 2840 1 7 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.561 1.317 18916 2841 1 7 . 1 1 4 4 GLN CB C 4 29.441 29.441 29.188 0.253 18916 2842 1 7 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.460 0.094 18916 2843 1 7 . 1 1 7 7 LYS C C 7 178.298 178.298 177.017 1.281 18916 2844 1 7 . 1 1 7 7 LYS CA C 7 54.750 54.750 56.582 -1.832 18916 2845 1 7 . 1 1 7 7 LYS CB C 7 32.593 32.593 32.066 0.527 18916 2846 1 7 . 1 1 8 8 ILE N N 8 119.676 119.676 120.186 -0.510 18916 2847 1 7 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.685 -0.101 18916 2848 1 7 . 1 1 8 8 ILE C C 8 177.164 177.164 176.657 0.507 18916 2849 1 7 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.270 1.642 18916 2850 1 7 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.940 1.034 18916 2851 1 7 . 1 1 8 8 ILE H H 8 7.633 7.633 7.710 -0.077 18916 2852 1 7 . 1 1 9 9 PHE N N 9 113.639 113.639 116.045 -2.406 18916 2853 1 7 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.656 0.256 18916 2854 1 7 . 1 1 9 9 PHE C C 9 174.520 174.520 177.273 -2.753 18916 2855 1 7 . 1 1 9 9 PHE CA C 9 57.039 57.039 57.779 -0.740 18916 2856 1 7 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.542 -0.828 18916 2857 1 7 . 1 1 9 9 PHE H H 9 8.403 8.403 7.546 0.857 18916 2858 1 7 . 1 1 10 10 LYS N N 10 120.104 120.104 120.720 -0.616 18916 2859 1 7 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.387 -0.244 18916 2860 1 7 . 1 1 10 10 LYS C C 10 177.600 177.600 177.249 0.351 18916 2861 1 7 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.533 -0.025 18916 2862 1 7 . 1 1 10 10 LYS CB C 10 32.440 32.440 31.850 0.590 18916 2863 1 7 . 1 1 10 10 LYS H H 10 7.328 7.328 8.569 -1.241 18916 2864 1 7 . 1 1 11 11 ASN N N 11 116.960 116.960 116.320 0.640 18916 2865 1 7 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.923 -0.378 18916 2866 1 7 . 1 1 11 11 ASN C C 11 175.566 175.566 174.201 1.365 18916 2867 1 7 . 1 1 11 11 ASN CA C 11 55.479 55.479 52.733 2.746 18916 2868 1 7 . 1 1 11 11 ASN CB C 11 37.528 37.528 39.178 -1.651 18916 2869 1 7 . 1 1 11 11 ASN H H 11 8.984 8.984 8.625 0.359 18916 2870 1 7 . 1 1 12 12 CYS N N 12 118.344 118.344 120.225 -1.881 18916 2871 1 7 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.846 0.280 18916 2872 1 7 . 1 1 12 12 CYS C C 12 175.014 175.014 173.366 1.648 18916 2873 1 7 . 1 1 12 12 CYS CA C 12 59.549 59.549 58.859 0.690 18916 2874 1 7 . 1 1 12 12 CYS CB C 12 29.319 29.319 30.185 -0.866 18916 2875 1 7 . 1 1 12 12 CYS H H 12 8.460 8.460 7.808 0.652 18916 2876 1 7 . 1 1 13 13 VAL N N 13 128.765 128.765 127.093 1.672 18916 2877 1 7 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.776 -0.387 18916 2878 1 7 . 1 1 13 13 VAL C C 13 174.912 174.912 174.778 0.134 18916 2879 1 7 . 1 1 13 13 VAL CA C 13 62.294 62.294 62.269 0.025 18916 2880 1 7 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.812 0.656 18916 2881 1 7 . 1 1 13 13 VAL H H 13 9.878 9.878 8.610 1.268 18916 2882 1 7 . 1 1 14 14 ILE N N 14 128.270 128.270 128.163 0.107 18916 2883 1 7 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.266 -0.066 18916 2884 1 7 . 1 1 14 14 ILE C C 14 174.098 174.098 174.734 -0.636 18916 2885 1 7 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.394 0.910 18916 2886 1 7 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.889 0.655 18916 2887 1 7 . 1 1 14 14 ILE H H 14 8.841 8.841 8.864 -0.023 18916 2888 1 7 . 1 1 15 15 TYR N N 15 125.475 125.475 129.023 -3.548 18916 2889 1 7 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.194 -0.085 18916 2890 1 7 . 1 1 15 15 TYR C C 15 173.023 173.023 174.061 -1.038 18916 2891 1 7 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.674 0.212 18916 2892 1 7 . 1 1 15 15 TYR CB C 15 42.813 42.813 40.576 2.237 18916 2893 1 7 . 1 1 15 15 TYR H H 15 8.023 8.023 8.820 -0.797 18916 2894 1 7 . 1 1 16 16 ILE N N 16 128.262 128.262 129.599 -1.337 18916 2895 1 7 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.348 0.019 18916 2896 1 7 . 1 1 16 16 ILE C C 16 173.895 173.895 174.780 -0.885 18916 2897 1 7 . 1 1 16 16 ILE CA C 16 59.688 59.688 60.981 -1.293 18916 2898 1 7 . 1 1 16 16 ILE CB C 16 36.912 36.912 38.191 -1.279 18916 2899 1 7 . 1 1 16 16 ILE H H 16 8.708 8.708 8.432 0.276 18916 2900 1 7 . 1 1 17 17 ASN N N 17 126.842 126.842 125.514 1.328 18916 2901 1 7 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.618 0.043 18916 2902 1 7 . 1 1 17 17 ASN C C 17 174.171 174.171 174.406 -0.235 18916 2903 1 7 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.720 1.167 18916 2904 1 7 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.451 1.493 18916 2905 1 7 . 1 1 17 17 ASN H H 17 8.974 8.974 8.533 0.441 18916 2906 1 7 . 1 1 18 18 GLY N N 18 113.508 113.508 111.881 1.627 18916 2907 1 7 . 1 1 18 18 GLY C C 18 172.529 172.529 173.529 -1.000 18916 2908 1 7 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.747 0.438 18916 2909 1 7 . 1 1 18 18 GLY H H 18 8.727 8.727 8.110 0.617 18916 2910 1 7 . 1 1 19 19 TYR N N 19 121.021 121.021 122.619 -1.598 18916 2911 1 7 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.471 -0.021 18916 2912 1 7 . 1 1 19 19 TYR C C 19 176.147 176.147 175.196 0.951 18916 2913 1 7 . 1 1 19 19 TYR CA C 19 58.982 58.982 58.082 0.900 18916 2914 1 7 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.599 0.103 18916 2915 1 7 . 1 1 19 19 TYR H H 19 8.651 8.651 8.135 0.516 18916 2916 1 7 . 1 1 20 20 THR N N 20 117.677 117.677 116.215 1.462 18916 2917 1 7 . 1 1 20 20 THR HA H 20 4.279 4.279 4.509 -0.230 18916 2918 1 7 . 1 1 20 20 THR C C 20 171.803 171.803 173.679 -1.876 18916 2919 1 7 . 1 1 20 20 THR CA C 20 59.986 59.986 60.238 -0.252 18916 2920 1 7 . 1 1 20 20 THR CB C 20 73.362 73.362 71.024 2.338 18916 2921 1 7 . 1 1 20 20 THR H H 20 7.242 7.242 8.148 -0.906 18916 2922 1 7 . 1 1 21 21 LYS N N 21 120.592 120.592 123.502 -2.910 18916 2923 1 7 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.742 -0.695 18916 2924 1 7 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.492 1.538 18916 2925 1 7 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.693 2.133 18916 2926 1 7 . 1 1 21 21 LYS H H 21 7.718 7.718 8.496 -0.778 18916 2927 1 7 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.469 0.121 18916 2928 1 7 . 1 1 22 22 PRO C C 22 175.043 175.043 176.798 -1.755 18916 2929 1 7 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.324 0.624 18916 2930 1 7 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.783 1.757 18916 2931 1 7 . 1 1 23 23 GLY N N 23 105.352 105.352 106.305 -0.953 18916 2932 1 7 . 1 1 23 23 GLY C C 23 172.762 172.762 175.952 -3.190 18916 2933 1 7 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.782 0.098 18916 2934 1 7 . 1 1 23 23 GLY H H 23 8.356 8.356 8.521 -0.165 18916 2935 1 7 . 1 1 24 24 ARG N N 24 119.274 119.274 123.048 -3.774 18916 2936 1 7 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.635 -0.360 18916 2937 1 7 . 1 1 24 24 ARG C C 24 176.263 176.263 178.326 -2.063 18916 2938 1 7 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.799 1.121 18916 2939 1 7 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.381 0.950 18916 2940 1 7 . 1 1 24 24 ARG H H 24 7.813 7.813 8.812 -0.999 18916 2941 1 7 . 1 1 25 25 LEU N N 25 116.403 116.403 115.601 0.802 18916 2942 1 7 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.396 -0.706 18916 2943 1 7 . 1 1 25 25 LEU C C 25 179.562 179.562 178.916 0.646 18916 2944 1 7 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.190 1.202 18916 2945 1 7 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.743 0.101 18916 2946 1 7 . 1 1 25 25 LEU H H 25 8.156 8.156 8.036 0.120 18916 2947 1 7 . 1 1 26 26 GLN N N 26 118.294 118.294 119.037 -0.743 18916 2948 1 7 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.109 -0.143 18916 2949 1 7 . 1 1 26 26 GLN C C 26 179.358 179.358 178.480 0.878 18916 2950 1 7 . 1 1 26 26 GLN CA C 26 59.322 59.322 58.016 1.306 18916 2951 1 7 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.317 -0.260 18916 2952 1 7 . 1 1 26 26 GLN H H 26 7.423 7.423 7.539 -0.116 18916 2953 1 7 . 1 1 27 27 LEU N N 27 119.419 119.419 120.248 -0.829 18916 2954 1 7 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.683 0.245 18916 2955 1 7 . 1 1 27 27 LEU C C 27 178.777 178.777 178.846 -0.069 18916 2956 1 7 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.401 -0.378 18916 2957 1 7 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.559 0.331 18916 2958 1 7 . 1 1 27 27 LEU H H 27 8.127 8.127 8.232 -0.105 18916 2959 1 7 . 1 1 28 28 HIS N N 28 118.332 118.332 117.483 0.849 18916 2960 1 7 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.946 -0.204 18916 2961 1 7 . 1 1 28 28 HIS C C 28 177.121 177.121 177.914 -0.793 18916 2962 1 7 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.503 -1.705 18916 2963 1 7 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.415 0.026 18916 2964 1 7 . 1 1 28 28 HIS H H 28 8.727 8.727 7.813 0.914 18916 2965 1 7 . 1 1 29 29 GLU N N 29 116.699 116.699 119.139 -2.440 18916 2966 1 7 . 1 1 29 29 GLU HA H 29 3.978 3.978 4.001 -0.023 18916 2967 1 7 . 1 1 29 29 GLU C C 29 178.951 178.951 178.935 0.016 18916 2968 1 7 . 1 1 29 29 GLU CA C 29 59.276 59.276 58.980 0.296 18916 2969 1 7 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.222 0.462 18916 2970 1 7 . 1 1 29 29 GLU H H 29 7.518 7.518 7.635 -0.117 18916 2971 1 7 . 1 1 30 30 MET N N 30 118.090 118.090 117.010 1.080 18916 2972 1 7 . 1 1 30 30 MET HA H 30 4.055 4.055 4.219 -0.164 18916 2973 1 7 . 1 1 30 30 MET C C 30 177.992 177.992 178.720 -0.728 18916 2974 1 7 . 1 1 30 30 MET CA C 30 60.040 60.040 57.048 2.992 18916 2975 1 7 . 1 1 30 30 MET CB C 30 34.522 34.522 31.923 2.599 18916 2976 1 7 . 1 1 30 30 MET H H 30 7.766 7.766 7.698 0.068 18916 2977 1 7 . 1 1 31 31 ILE N N 31 118.458 118.458 118.144 0.314 18916 2978 1 7 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.043 0.209 18916 2979 1 7 . 1 1 31 31 ILE C C 31 178.007 178.007 178.181 -0.174 18916 2980 1 7 . 1 1 31 31 ILE CA C 31 64.891 64.891 64.448 0.443 18916 2981 1 7 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.804 0.378 18916 2982 1 7 . 1 1 31 31 ILE H H 31 8.337 8.337 7.872 0.465 18916 2983 1 7 . 1 1 32 32 VAL N N 32 117.878 117.878 120.027 -2.149 18916 2984 1 7 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.216 -0.213 18916 2985 1 7 . 1 1 32 32 VAL C C 32 180.884 180.884 178.862 2.022 18916 2986 1 7 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.676 -0.300 18916 2987 1 7 . 1 1 32 32 VAL CB C 32 31.997 31.997 32.067 -0.070 18916 2988 1 7 . 1 1 32 32 VAL H H 32 7.888 7.888 7.591 0.297 18916 2989 1 7 . 1 1 33 33 LEU N N 33 123.609 123.609 117.632 5.977 18916 2990 1 7 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.121 -0.048 18916 2991 1 7 . 1 1 33 33 LEU C C 33 177.498 177.498 177.397 0.101 18916 2992 1 7 . 1 1 33 33 LEU CA C 33 57.662 57.662 56.721 0.941 18916 2993 1 7 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.829 1.461 18916 2994 1 7 . 1 1 33 33 LEU H H 33 8.281 8.281 7.835 0.446 18916 2995 1 7 . 1 1 34 34 HIS N N 34 113.272 113.272 115.140 -1.868 18916 2996 1 7 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.720 -0.005 18916 2997 1 7 . 1 1 34 34 HIS C C 34 175.464 175.464 175.509 -0.045 18916 2998 1 7 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.590 0.806 18916 2999 1 7 . 1 1 34 34 HIS CB C 34 29.768 29.768 30.776 -1.008 18916 3000 1 7 . 1 1 34 34 HIS H H 34 7.319 7.319 7.536 -0.217 18916 3001 1 7 . 1 1 35 35 GLY N N 35 104.307 104.307 107.476 -3.169 18916 3002 1 7 . 1 1 35 35 GLY C C 35 174.985 174.985 173.887 1.098 18916 3003 1 7 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.445 1.869 18916 3004 1 7 . 1 1 35 35 GLY H H 35 7.392 7.392 7.976 -0.584 18916 3005 1 7 . 1 1 36 36 GLY N N 36 108.630 108.630 106.878 1.752 18916 3006 1 7 . 1 1 36 36 GLY C C 36 171.701 171.701 172.944 -1.243 18916 3007 1 7 . 1 1 36 36 GLY CA C 36 44.392 44.392 43.679 0.713 18916 3008 1 7 . 1 1 36 36 GLY H H 36 8.763 8.763 7.894 0.869 18916 3009 1 7 . 1 1 37 37 LYS N N 37 115.119 115.119 122.360 -7.241 18916 3010 1 7 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.939 -0.325 18916 3011 1 7 . 1 1 37 37 LYS C C 37 174.302 174.302 175.224 -0.922 18916 3012 1 7 . 1 1 37 37 LYS CA C 37 54.319 54.319 54.031 0.288 18916 3013 1 7 . 1 1 37 37 LYS CB C 37 37.250 37.250 35.796 1.454 18916 3014 1 7 . 1 1 37 37 LYS H H 37 7.406 7.406 8.030 -0.624 18916 3015 1 7 . 1 1 38 38 PHE N N 38 117.196 117.196 121.366 -4.170 18916 3016 1 7 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.767 0.121 18916 3017 1 7 . 1 1 38 38 PHE C C 38 173.604 173.604 174.253 -0.649 18916 3018 1 7 . 1 1 38 38 PHE CA C 38 54.852 54.852 54.672 0.180 18916 3019 1 7 . 1 1 38 38 PHE CB C 38 43.379 43.379 41.697 1.682 18916 3020 1 7 . 1 1 38 38 PHE H H 38 7.844 7.844 8.460 -0.616 18916 3021 1 7 . 1 1 39 39 LEU N N 39 119.576 119.576 122.626 -3.050 18916 3022 1 7 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.705 -0.101 18916 3023 1 7 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.588 -0.927 18916 3024 1 7 . 1 1 39 39 LEU CB C 39 45.901 45.901 44.764 1.137 18916 3025 1 7 . 1 1 39 39 LEU H H 39 8.223 8.223 8.728 -0.505 18916 3026 1 7 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.637 0.002 18916 3027 1 7 . 1 1 40 40 HIS C C 40 174.694 174.694 174.636 0.058 18916 3028 1 7 . 1 1 40 40 HIS CA C 40 58.670 58.670 58.075 0.595 18916 3029 1 7 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.454 1.436 18916 3030 1 7 . 1 1 41 41 TYR N N 41 115.005 115.005 118.101 -3.096 18916 3031 1 7 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.267 0.393 18916 3032 1 7 . 1 1 41 41 TYR C C 41 173.023 173.023 173.085 -0.062 18916 3033 1 7 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.087 -1.188 18916 3034 1 7 . 1 1 41 41 TYR CB C 41 40.313 40.313 39.590 0.723 18916 3035 1 7 . 1 1 41 41 TYR H H 41 7.363 7.363 7.406 -0.043 18916 3036 1 7 . 1 1 42 42 LEU N N 42 121.687 121.687 126.312 -4.625 18916 3037 1 7 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.308 -0.419 18916 3038 1 7 . 1 1 42 42 LEU CA C 42 54.041 54.041 53.875 0.166 18916 3039 1 7 . 1 1 42 42 LEU CB C 42 41.096 41.096 41.978 -0.882 18916 3040 1 7 . 1 1 42 42 LEU H H 42 8.252 8.252 7.411 0.841 18916 3041 1 7 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.843 -0.609 18916 3042 1 7 . 1 1 46 46 LYS CA C 46 56.885 56.885 55.948 0.937 18916 3043 1 7 . 1 1 46 46 LYS CB C 46 32.542 32.542 31.271 1.270 18916 3044 1 7 . 1 1 47 47 THR HA H 47 4.168 4.168 4.416 -0.248 18916 3045 1 7 . 1 1 47 47 THR C C 47 174.186 174.186 173.865 0.321 18916 3046 1 7 . 1 1 47 47 THR CA C 47 62.706 62.706 62.439 0.267 18916 3047 1 7 . 1 1 47 47 THR CB C 47 69.762 69.762 69.150 0.612 18916 3048 1 7 . 1 1 48 48 VAL N N 48 123.218 123.218 120.331 2.887 18916 3049 1 7 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.464 -0.621 18916 3050 1 7 . 1 1 48 48 VAL C C 48 174.985 174.985 174.686 0.299 18916 3051 1 7 . 1 1 48 48 VAL CA C 48 62.146 62.146 60.072 2.074 18916 3052 1 7 . 1 1 48 48 VAL CB C 48 33.167 33.167 35.279 -2.112 18916 3053 1 7 . 1 1 48 48 VAL H H 48 7.771 7.771 7.352 0.419 18916 3054 1 7 . 1 1 49 49 THR N N 49 116.982 116.982 115.850 1.132 18916 3055 1 7 . 1 1 49 49 THR HA H 49 4.319 4.319 4.488 -0.169 18916 3056 1 7 . 1 1 49 49 THR C C 49 176.118 176.118 174.561 1.557 18916 3057 1 7 . 1 1 49 49 THR CA C 49 62.831 62.831 62.202 0.629 18916 3058 1 7 . 1 1 49 49 THR CB C 49 69.114 69.114 69.911 -0.797 18916 3059 1 7 . 1 1 49 49 THR H H 49 9.798 9.798 8.331 1.467 18916 3060 1 7 . 1 1 50 50 HIS N N 50 121.799 121.799 120.118 1.681 18916 3061 1 7 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.131 -0.215 18916 3062 1 7 . 1 1 50 50 HIS C C 50 172.849 172.849 173.242 -0.393 18916 3063 1 7 . 1 1 50 50 HIS CA C 50 56.654 56.654 55.326 1.328 18916 3064 1 7 . 1 1 50 50 HIS CB C 50 34.649 34.649 33.107 1.542 18916 3065 1 7 . 1 1 50 50 HIS H H 50 7.596 7.596 8.145 -0.549 18916 3066 1 7 . 1 1 51 51 ILE N N 51 123.013 123.013 124.847 -1.834 18916 3067 1 7 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.696 0.284 18916 3068 1 7 . 1 1 51 51 ILE C C 51 174.505 174.505 174.661 -0.156 18916 3069 1 7 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.307 -1.340 18916 3070 1 7 . 1 1 51 51 ILE CB C 51 39.153 39.153 40.066 -0.913 18916 3071 1 7 . 1 1 51 51 ILE H H 51 8.996 8.996 8.557 0.439 18916 3072 1 7 . 1 1 52 52 VAL N N 52 127.413 127.413 128.563 -1.150 18916 3073 1 7 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.425 0.877 18916 3074 1 7 . 1 1 52 52 VAL C C 52 174.084 174.084 174.393 -0.309 18916 3075 1 7 . 1 1 52 52 VAL CA C 52 59.207 59.207 61.460 -2.253 18916 3076 1 7 . 1 1 52 52 VAL CB C 52 33.259 33.259 31.296 1.963 18916 3077 1 7 . 1 1 52 52 VAL H H 52 8.821 8.821 8.334 0.487 18916 3078 1 7 . 1 1 53 53 ALA N N 53 127.601 127.601 130.077 -2.476 18916 3079 1 7 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.366 -0.744 18916 3080 1 7 . 1 1 53 53 ALA C C 53 174.680 174.680 175.870 -1.190 18916 3081 1 7 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.940 -0.030 18916 3082 1 7 . 1 1 53 53 ALA CB C 53 23.160 23.160 23.018 0.142 18916 3083 1 7 . 1 1 53 53 ALA H H 53 8.967 8.967 8.822 0.144 18916 3084 1 7 . 1 1 54 54 SER N N 54 113.005 113.005 116.416 -3.411 18916 3085 1 7 . 1 1 54 54 SER HA H 54 4.657 4.657 4.613 0.044 18916 3086 1 7 . 1 1 54 54 SER C C 54 174.229 174.229 174.667 -0.438 18916 3087 1 7 . 1 1 54 54 SER CA C 54 59.671 59.671 58.627 1.044 18916 3088 1 7 . 1 1 54 54 SER CB C 54 64.852 64.852 64.343 0.509 18916 3089 1 7 . 1 1 54 54 SER H H 54 9.303 9.303 8.804 0.499 18916 3090 1 7 . 1 1 55 55 ASN N N 55 117.475 117.475 121.564 -4.089 18916 3091 1 7 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.914 -0.313 18916 3092 1 7 . 1 1 55 55 ASN C C 55 173.052 173.052 173.413 -0.361 18916 3093 1 7 . 1 1 55 55 ASN CA C 55 53.125 53.125 53.343 -0.218 18916 3094 1 7 . 1 1 55 55 ASN CB C 55 40.610 40.610 38.923 1.687 18916 3095 1 7 . 1 1 55 55 ASN H H 55 7.917 7.917 8.460 -0.543 18916 3096 1 7 . 1 1 56 56 LEU N N 56 122.146 122.146 126.131 -3.985 18916 3097 1 7 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.741 0.059 18916 3098 1 7 . 1 1 56 56 LEU CA C 56 51.905 51.905 52.093 -0.188 18916 3099 1 7 . 1 1 56 56 LEU CB C 56 44.592 44.592 44.541 0.051 18916 3100 1 7 . 1 1 56 56 LEU H H 56 8.792 8.792 8.124 0.668 18916 3101 1 7 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.663 -0.098 18916 3102 1 7 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.282 -0.092 18916 3103 1 7 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.701 -0.202 18916 3104 1 7 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.974 -0.054 18916 3105 1 7 . 1 1 58 58 LEU C C 58 178.806 178.806 178.496 0.310 18916 3106 1 7 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.338 0.834 18916 3107 1 7 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.671 -0.082 18916 3108 1 7 . 1 1 59 59 LYS N N 59 115.039 115.039 117.946 -2.907 18916 3109 1 7 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.077 -0.105 18916 3110 1 7 . 1 1 59 59 LYS C C 59 179.053 179.053 178.885 0.168 18916 3111 1 7 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.766 0.758 18916 3112 1 7 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.531 0.880 18916 3113 1 7 . 1 1 59 59 LYS H H 59 8.763 8.763 8.470 0.293 18916 3114 1 7 . 1 1 60 60 LYS N N 60 116.433 116.433 119.392 -2.959 18916 3115 1 7 . 1 1 60 60 LYS HA H 60 3.960 3.960 4.031 -0.071 18916 3116 1 7 . 1 1 60 60 LYS C C 60 176.874 176.874 179.123 -2.249 18916 3117 1 7 . 1 1 60 60 LYS CA C 60 55.721 55.721 57.354 -1.633 18916 3118 1 7 . 1 1 60 60 LYS CB C 60 31.933 31.933 32.101 -0.168 18916 3119 1 7 . 1 1 60 60 LYS H H 60 7.158 7.158 7.451 -0.293 18916 3120 1 7 . 1 1 61 61 ARG N N 61 120.369 120.369 120.089 0.280 18916 3121 1 7 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.166 -0.342 18916 3122 1 7 . 1 1 61 61 ARG C C 61 179.213 179.213 177.682 1.531 18916 3123 1 7 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.474 0.340 18916 3124 1 7 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.209 -0.339 18916 3125 1 7 . 1 1 61 61 ARG H H 61 7.902 7.902 7.794 0.108 18916 3126 1 7 . 1 1 62 62 ILE N N 62 117.956 117.956 118.612 -0.656 18916 3127 1 7 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.783 0.025 18916 3128 1 7 . 1 1 62 62 ILE C C 62 178.966 178.966 178.561 0.405 18916 3129 1 7 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.660 -0.498 18916 3130 1 7 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.881 0.138 18916 3131 1 7 . 1 1 62 62 ILE H H 62 7.727 7.727 7.578 0.149 18916 3132 1 7 . 1 1 63 63 GLU N N 63 121.877 121.877 121.590 0.287 18916 3133 1 7 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.007 -0.057 18916 3134 1 7 . 1 1 63 63 GLU C C 63 178.792 178.792 177.510 1.282 18916 3135 1 7 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.953 0.349 18916 3136 1 7 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.593 0.229 18916 3137 1 7 . 1 1 63 63 GLU H H 63 7.713 7.713 7.824 -0.111 18916 3138 1 7 . 1 1 64 64 PHE N N 64 115.684 115.684 117.153 -1.469 18916 3139 1 7 . 1 1 64 64 PHE HA H 64 5.078 5.078 5.046 0.032 18916 3140 1 7 . 1 1 64 64 PHE C C 64 175.886 175.886 174.864 1.022 18916 3141 1 7 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.746 -1.887 18916 3142 1 7 . 1 1 64 64 PHE CB C 64 37.431 37.431 38.574 -1.143 18916 3143 1 7 . 1 1 64 64 PHE H H 64 8.077 8.077 7.546 0.531 18916 3144 1 7 . 1 1 65 65 ALA N N 65 122.616 122.616 122.915 -0.299 18916 3145 1 7 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.197 -0.033 18916 3146 1 7 . 1 1 65 65 ALA C C 65 178.356 178.356 178.314 0.042 18916 3147 1 7 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.695 0.726 18916 3148 1 7 . 1 1 65 65 ALA CB C 65 19.243 19.243 19.016 0.227 18916 3149 1 7 . 1 1 65 65 ALA H H 65 7.290 7.290 7.128 0.162 18916 3150 1 7 . 1 1 66 66 ASN N N 66 112.567 112.567 115.752 -3.185 18916 3151 1 7 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.423 0.182 18916 3152 1 7 . 1 1 66 66 ASN C C 66 174.374 174.374 175.106 -0.732 18916 3153 1 7 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.248 -0.894 18916 3154 1 7 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.372 -0.453 18916 3155 1 7 . 1 1 66 66 ASN H H 66 8.602 8.602 8.544 0.058 18916 3156 1 7 . 1 1 67 67 TYR N N 67 118.682 118.682 118.217 0.465 18916 3157 1 7 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.346 0.182 18916 3158 1 7 . 1 1 67 67 TYR C C 67 175.072 175.072 175.857 -0.785 18916 3159 1 7 . 1 1 67 67 TYR CA C 67 56.641 56.641 56.602 0.039 18916 3160 1 7 . 1 1 67 67 TYR CB C 67 40.822 40.822 38.681 2.140 18916 3161 1 7 . 1 1 67 67 TYR H H 67 7.873 7.873 7.357 0.516 18916 3162 1 7 . 1 1 68 68 LYS N N 68 121.419 121.419 124.860 -3.441 18916 3163 1 7 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.281 -0.481 18916 3164 1 7 . 1 1 68 68 LYS C C 68 174.491 174.491 176.059 -1.568 18916 3165 1 7 . 1 1 68 68 LYS CA C 68 56.246 56.246 55.232 1.014 18916 3166 1 7 . 1 1 68 68 LYS CB C 68 32.664 32.664 31.002 1.662 18916 3167 1 7 . 1 1 68 68 LYS H H 68 7.771 7.771 8.261 -0.490 18916 3168 1 7 . 1 1 69 69 VAL N N 69 126.113 126.113 125.100 1.013 18916 3169 1 7 . 1 1 69 69 VAL HA H 69 5.182 5.182 5.210 -0.028 18916 3170 1 7 . 1 1 69 69 VAL C C 69 176.365 176.365 175.477 0.888 18916 3171 1 7 . 1 1 69 69 VAL CA C 69 60.879 60.879 61.448 -0.569 18916 3172 1 7 . 1 1 69 69 VAL CB C 69 32.355 32.355 31.907 0.449 18916 3173 1 7 . 1 1 69 69 VAL H H 69 8.384 8.384 7.941 0.443 18916 3174 1 7 . 1 1 70 70 VAL N N 70 120.358 120.358 121.373 -1.015 18916 3175 1 7 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.016 0.361 18916 3176 1 7 . 1 1 70 70 VAL C C 70 174.040 174.040 174.990 -0.950 18916 3177 1 7 . 1 1 70 70 VAL CA C 70 57.849 57.849 59.316 -1.467 18916 3178 1 7 . 1 1 70 70 VAL CB C 70 36.753 36.753 36.164 0.589 18916 3179 1 7 . 1 1 70 70 VAL H H 70 9.390 9.390 8.988 0.402 18916 3180 1 7 . 1 1 71 71 SER N N 71 114.634 114.634 115.752 -1.118 18916 3181 1 7 . 1 1 71 71 SER HA H 71 5.630 5.630 5.514 0.116 18916 3182 1 7 . 1 1 71 71 SER CA C 71 60.584 60.584 55.060 5.524 18916 3183 1 7 . 1 1 71 71 SER CB C 71 60.367 60.367 62.718 -2.351 18916 3184 1 7 . 1 1 71 71 SER H H 71 8.354 8.354 7.995 0.359 18916 3185 1 7 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.280 -0.144 18916 3186 1 7 . 1 1 72 72 PRO C C 72 177.193 177.193 177.609 -0.416 18916 3187 1 7 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.481 -0.419 18916 3188 1 7 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.807 0.532 18916 3189 1 7 . 1 1 73 73 ASP N N 73 115.868 115.868 117.771 -1.903 18916 3190 1 7 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.327 -0.125 18916 3191 1 7 . 1 1 73 73 ASP C C 73 175.450 175.450 177.572 -2.122 18916 3192 1 7 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.250 -1.824 18916 3193 1 7 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.837 -0.482 18916 3194 1 7 . 1 1 73 73 ASP H H 73 8.427 8.427 8.466 -0.039 18916 3195 1 7 . 1 1 74 74 TRP N N 74 121.252 121.252 121.629 -0.377 18916 3196 1 7 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.352 -0.734 18916 3197 1 7 . 1 1 74 74 TRP C C 74 178.472 178.472 177.294 1.178 18916 3198 1 7 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.264 -0.249 18916 3199 1 7 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.176 -0.446 18916 3200 1 7 . 1 1 74 74 TRP H H 74 7.833 7.833 7.473 0.360 18916 3201 1 7 . 1 1 75 75 ILE N N 75 116.185 116.185 118.717 -2.532 18916 3202 1 7 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.454 -0.210 18916 3203 1 7 . 1 1 75 75 ILE C C 75 176.728 176.728 177.922 -1.194 18916 3204 1 7 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.322 -1.427 18916 3205 1 7 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.447 -0.226 18916 3206 1 7 . 1 1 75 75 ILE H H 75 6.969 6.969 7.416 -0.447 18916 3207 1 7 . 1 1 76 76 VAL N N 76 117.042 117.042 120.572 -3.530 18916 3208 1 7 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.362 -0.166 18916 3209 1 7 . 1 1 76 76 VAL C C 76 178.675 178.675 177.743 0.932 18916 3210 1 7 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.451 -0.506 18916 3211 1 7 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.230 1.415 18916 3212 1 7 . 1 1 76 76 VAL H H 76 7.056 7.056 7.650 -0.594 18916 3213 1 7 . 1 1 77 77 ASP N N 77 120.009 120.009 119.072 0.937 18916 3214 1 7 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.375 -0.071 18916 3215 1 7 . 1 1 77 77 ASP C C 77 178.515 178.515 178.411 0.104 18916 3216 1 7 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.501 -0.503 18916 3217 1 7 . 1 1 77 77 ASP CB C 77 38.850 38.850 41.034 -2.184 18916 3218 1 7 . 1 1 77 77 ASP H H 77 9.171 9.171 7.721 1.450 18916 3219 1 7 . 1 1 78 78 SER N N 78 117.973 117.973 116.321 1.652 18916 3220 1 7 . 1 1 78 78 SER HA H 78 4.391 4.391 4.165 0.226 18916 3221 1 7 . 1 1 78 78 SER C C 78 175.290 175.290 176.567 -1.277 18916 3222 1 7 . 1 1 78 78 SER CA C 78 62.948 62.948 61.885 1.063 18916 3223 1 7 . 1 1 78 78 SER CB C 78 63.080 63.080 62.974 0.106 18916 3224 1 7 . 1 1 78 78 SER H H 78 7.056 7.056 7.805 -0.749 18916 3225 1 7 . 1 1 79 79 VAL N N 79 119.889 119.889 121.149 -1.260 18916 3226 1 7 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.347 -0.439 18916 3227 1 7 . 1 1 79 79 VAL C C 79 179.169 179.169 177.401 1.768 18916 3228 1 7 . 1 1 79 79 VAL CA C 79 66.864 66.864 66.186 0.678 18916 3229 1 7 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.465 -0.635 18916 3230 1 7 . 1 1 79 79 VAL H H 79 7.596 7.596 7.757 -0.161 18916 3231 1 7 . 1 1 80 80 LYS N N 80 121.062 121.062 119.030 2.032 18916 3232 1 7 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.035 -0.145 18916 3233 1 7 . 1 1 80 80 LYS C C 80 178.806 178.806 178.558 0.248 18916 3234 1 7 . 1 1 80 80 LYS CA C 80 59.779 59.779 59.046 0.733 18916 3235 1 7 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.479 -0.148 18916 3236 1 7 . 1 1 80 80 LYS H H 80 7.946 7.946 7.381 0.565 18916 3237 1 7 . 1 1 81 81 GLU N N 81 115.870 115.870 116.208 -0.338 18916 3238 1 7 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.337 -0.209 18916 3239 1 7 . 1 1 81 81 GLU C C 81 174.912 174.912 176.548 -1.636 18916 3240 1 7 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.846 0.624 18916 3241 1 7 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.575 0.038 18916 3242 1 7 . 1 1 81 81 GLU H H 81 8.063 8.063 7.877 0.186 18916 3243 1 7 . 1 1 82 82 ALA N N 82 122.380 122.380 120.128 2.252 18916 3244 1 7 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.942 -0.234 18916 3245 1 7 . 1 1 82 82 ALA C C 82 175.711 175.711 176.073 -0.362 18916 3246 1 7 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.361 -0.900 18916 3247 1 7 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.478 -0.897 18916 3248 1 7 . 1 1 82 82 ALA H H 82 7.931 7.931 7.796 0.135 18916 3249 1 7 . 1 1 83 83 ARG N N 83 115.619 115.619 115.452 0.167 18916 3250 1 7 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.711 -0.521 18916 3251 1 7 . 1 1 83 83 ARG C C 83 172.050 172.050 173.668 -1.618 18916 3252 1 7 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.557 1.605 18916 3253 1 7 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.606 -0.251 18916 3254 1 7 . 1 1 83 83 ARG H H 83 8.165 8.165 7.533 0.632 18916 3255 1 7 . 1 1 84 84 LEU N N 84 120.648 120.648 122.678 -2.030 18916 3256 1 7 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.317 -0.601 18916 3257 1 7 . 1 1 84 84 LEU C C 84 176.917 176.917 175.457 1.460 18916 3258 1 7 . 1 1 84 84 LEU CA C 84 54.985 54.985 53.634 1.351 18916 3259 1 7 . 1 1 84 84 LEU CB C 84 41.311 41.311 42.131 -0.820 18916 3260 1 7 . 1 1 84 84 LEU H H 84 8.325 8.325 8.341 -0.016 18916 3261 1 7 . 1 1 85 85 LEU N N 85 132.955 132.955 129.792 3.163 18916 3262 1 7 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.870 -0.273 18916 3263 1 7 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.908 1.740 18916 3264 1 7 . 1 1 85 85 LEU CB C 85 40.363 40.363 42.020 -1.657 18916 3265 1 7 . 1 1 85 85 LEU H H 85 7.946 7.946 8.288 -0.342 18916 3266 1 7 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.089 0.496 18916 3267 1 7 . 1 1 86 86 PRO C C 86 178.835 178.835 177.792 1.043 18916 3268 1 7 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.060 0.715 18916 3269 1 7 . 1 1 86 86 PRO CB C 86 31.549 31.549 30.725 0.824 18916 3270 1 7 . 1 1 87 87 TRP N N 87 128.323 128.323 127.091 1.232 18916 3271 1 7 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.734 -0.099 18916 3272 1 7 . 1 1 87 87 TRP C C 87 177.963 177.963 177.404 0.559 18916 3273 1 7 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.265 0.288 18916 3274 1 7 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.239 -0.278 18916 3275 1 7 . 1 1 87 87 TRP H H 87 8.369 8.369 7.765 0.604 18916 3276 1 7 . 1 1 88 88 GLN N N 88 120.928 120.928 116.833 4.095 18916 3277 1 7 . 1 1 88 88 GLN HA H 88 2.905 2.905 4.074 -1.169 18916 3278 1 7 . 1 1 88 88 GLN C C 88 178.196 178.196 176.683 1.513 18916 3279 1 7 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.946 1.976 18916 3280 1 7 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.095 -0.635 18916 3281 1 7 . 1 1 88 88 GLN H H 88 8.354 8.354 7.975 0.379 18916 3282 1 7 . 1 1 89 89 ASN N N 89 116.452 116.452 117.535 -1.083 18916 3283 1 7 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.471 -0.172 18916 3284 1 7 . 1 1 89 89 ASN C C 89 174.752 174.752 176.314 -1.562 18916 3285 1 7 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.813 -0.682 18916 3286 1 7 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.662 -1.301 18916 3287 1 7 . 1 1 89 89 ASN H H 89 7.304 7.304 7.613 -0.309 18916 3288 1 7 . 1 1 90 90 TYR N N 90 118.336 118.336 115.542 2.794 18916 3289 1 7 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.552 0.062 18916 3290 1 7 . 1 1 90 90 TYR C C 90 174.534 174.534 175.285 -0.751 18916 3291 1 7 . 1 1 90 90 TYR CA C 90 57.534 57.534 57.696 -0.162 18916 3292 1 7 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.676 1.477 18916 3293 1 7 . 1 1 90 90 TYR H H 90 8.048 8.048 7.554 0.494 18916 3294 1 7 . 1 1 91 91 SER N N 91 114.053 114.053 116.362 -2.309 18916 3295 1 7 . 1 1 91 91 SER HA H 91 5.015 5.015 4.693 0.322 18916 3296 1 7 . 1 1 91 91 SER C C 91 176.205 176.205 174.627 1.578 18916 3297 1 7 . 1 1 91 91 SER CA C 91 58.037 58.037 59.274 -1.237 18916 3298 1 7 . 1 1 91 91 SER CB C 91 64.342 64.342 63.020 1.322 18916 3299 1 7 . 1 1 91 91 SER H H 91 7.012 7.012 7.589 -0.577 18916 3300 1 7 . 1 1 92 92 LEU N N 92 126.106 126.106 125.794 0.312 18916 3301 1 7 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.450 0.155 18916 3302 1 7 . 1 1 92 92 LEU C C 92 177.687 177.687 178.540 -0.853 18916 3303 1 7 . 1 1 92 92 LEU CA C 92 55.405 55.405 55.425 -0.020 18916 3304 1 7 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.031 1.856 18916 3305 1 7 . 1 1 92 92 LEU H H 92 8.777 8.777 8.380 0.397 18916 3306 1 7 . 1 1 93 93 THR N N 93 112.458 112.458 111.775 0.683 18916 3307 1 7 . 1 1 93 93 THR HA H 93 4.489 4.489 4.083 0.406 18916 3308 1 7 . 1 1 93 93 THR C C 93 173.851 173.851 175.270 -1.419 18916 3309 1 7 . 1 1 93 93 THR CA C 93 61.318 61.318 64.569 -3.251 18916 3310 1 7 . 1 1 93 93 THR CB C 93 69.853 69.853 68.820 1.033 18916 3311 1 7 . 1 1 93 93 THR H H 93 8.252 8.252 7.893 0.359 18916 3312 1 8 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.590 -0.808 18916 3313 1 8 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.645 1.233 18916 3314 1 8 . 1 1 4 4 GLN CB C 4 29.441 29.441 30.167 -0.726 18916 3315 1 8 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.560 -0.006 18916 3316 1 8 . 1 1 7 7 LYS C C 7 178.298 178.298 177.718 0.580 18916 3317 1 8 . 1 1 7 7 LYS CA C 7 54.750 54.750 56.153 -1.403 18916 3318 1 8 . 1 1 7 7 LYS CB C 7 32.593 32.593 31.326 1.267 18916 3319 1 8 . 1 1 8 8 ILE N N 8 119.676 119.676 121.423 -1.747 18916 3320 1 8 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.503 0.081 18916 3321 1 8 . 1 1 8 8 ILE C C 8 177.164 177.164 176.430 0.734 18916 3322 1 8 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.505 1.407 18916 3323 1 8 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.648 1.326 18916 3324 1 8 . 1 1 8 8 ILE H H 8 7.633 7.633 7.772 -0.139 18916 3325 1 8 . 1 1 9 9 PHE N N 9 113.639 113.639 113.073 0.566 18916 3326 1 8 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.750 0.162 18916 3327 1 8 . 1 1 9 9 PHE C C 9 174.520 174.520 176.257 -1.737 18916 3328 1 8 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.674 0.365 18916 3329 1 8 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.135 -0.421 18916 3330 1 8 . 1 1 9 9 PHE H H 9 8.403 8.403 7.842 0.561 18916 3331 1 8 . 1 1 10 10 LYS N N 10 120.104 120.104 121.975 -1.871 18916 3332 1 8 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.201 -0.058 18916 3333 1 8 . 1 1 10 10 LYS C C 10 177.600 177.600 177.865 -0.265 18916 3334 1 8 . 1 1 10 10 LYS CA C 10 58.508 58.508 59.135 -0.627 18916 3335 1 8 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.051 0.389 18916 3336 1 8 . 1 1 10 10 LYS H H 10 7.328 7.328 7.622 -0.294 18916 3337 1 8 . 1 1 11 11 ASN N N 11 116.960 116.960 115.520 1.440 18916 3338 1 8 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.689 -0.144 18916 3339 1 8 . 1 1 11 11 ASN C C 11 175.566 175.566 175.026 0.540 18916 3340 1 8 . 1 1 11 11 ASN CA C 11 55.479 55.479 53.649 1.830 18916 3341 1 8 . 1 1 11 11 ASN CB C 11 37.528 37.528 39.153 -1.625 18916 3342 1 8 . 1 1 11 11 ASN H H 11 8.984 8.984 8.649 0.335 18916 3343 1 8 . 1 1 12 12 CYS N N 12 118.344 118.344 119.620 -1.276 18916 3344 1 8 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.467 0.659 18916 3345 1 8 . 1 1 12 12 CYS C C 12 175.014 175.014 174.166 0.848 18916 3346 1 8 . 1 1 12 12 CYS CA C 12 59.549 59.549 60.633 -1.084 18916 3347 1 8 . 1 1 12 12 CYS CB C 12 29.319 29.319 28.768 0.551 18916 3348 1 8 . 1 1 12 12 CYS H H 12 8.460 8.460 8.112 0.348 18916 3349 1 8 . 1 1 13 13 VAL N N 13 128.765 128.765 125.335 3.430 18916 3350 1 8 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.616 -0.227 18916 3351 1 8 . 1 1 13 13 VAL C C 13 174.912 174.912 174.894 0.018 18916 3352 1 8 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.493 0.801 18916 3353 1 8 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.562 0.906 18916 3354 1 8 . 1 1 13 13 VAL H H 13 9.878 9.878 8.468 1.410 18916 3355 1 8 . 1 1 14 14 ILE N N 14 128.270 128.270 128.165 0.105 18916 3356 1 8 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.139 0.061 18916 3357 1 8 . 1 1 14 14 ILE C C 14 174.098 174.098 175.044 -0.946 18916 3358 1 8 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.824 0.480 18916 3359 1 8 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.417 1.127 18916 3360 1 8 . 1 1 14 14 ILE H H 14 8.841 8.841 8.665 0.176 18916 3361 1 8 . 1 1 15 15 TYR N N 15 125.475 125.475 129.268 -3.793 18916 3362 1 8 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.338 -0.229 18916 3363 1 8 . 1 1 15 15 TYR C C 15 173.023 173.023 173.828 -0.805 18916 3364 1 8 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.733 0.152 18916 3365 1 8 . 1 1 15 15 TYR CB C 15 42.813 42.813 41.528 1.285 18916 3366 1 8 . 1 1 15 15 TYR H H 15 8.023 8.023 8.858 -0.835 18916 3367 1 8 . 1 1 16 16 ILE N N 16 128.262 128.262 127.718 0.544 18916 3368 1 8 . 1 1 16 16 ILE HA H 16 4.367 4.367 3.907 0.460 18916 3369 1 8 . 1 1 16 16 ILE C C 16 173.895 173.895 173.383 0.512 18916 3370 1 8 . 1 1 16 16 ILE CA C 16 59.688 59.688 60.407 -0.719 18916 3371 1 8 . 1 1 16 16 ILE CB C 16 36.912 36.912 38.852 -1.940 18916 3372 1 8 . 1 1 16 16 ILE H H 16 8.708 8.708 8.626 0.082 18916 3373 1 8 . 1 1 17 17 ASN N N 17 126.842 126.842 124.285 2.557 18916 3374 1 8 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.690 -0.029 18916 3375 1 8 . 1 1 17 17 ASN C C 17 174.171 174.171 174.378 -0.207 18916 3376 1 8 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.545 1.341 18916 3377 1 8 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.173 1.770 18916 3378 1 8 . 1 1 17 17 ASN H H 17 8.974 8.974 8.152 0.822 18916 3379 1 8 . 1 1 18 18 GLY N N 18 113.508 113.508 112.845 0.663 18916 3380 1 8 . 1 1 18 18 GLY C C 18 172.529 172.529 173.636 -1.107 18916 3381 1 8 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.579 0.606 18916 3382 1 8 . 1 1 18 18 GLY H H 18 8.727 8.727 8.109 0.618 18916 3383 1 8 . 1 1 19 19 TYR N N 19 121.021 121.021 121.222 -0.201 18916 3384 1 8 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.559 -0.109 18916 3385 1 8 . 1 1 19 19 TYR C C 19 176.147 176.147 175.326 0.821 18916 3386 1 8 . 1 1 19 19 TYR CA C 19 58.982 58.982 58.252 0.730 18916 3387 1 8 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.712 -0.011 18916 3388 1 8 . 1 1 19 19 TYR H H 19 8.651 8.651 8.473 0.178 18916 3389 1 8 . 1 1 20 20 THR N N 20 117.677 117.677 115.462 2.215 18916 3390 1 8 . 1 1 20 20 THR HA H 20 4.279 4.279 5.026 -0.747 18916 3391 1 8 . 1 1 20 20 THR C C 20 171.803 171.803 174.129 -2.326 18916 3392 1 8 . 1 1 20 20 THR CA C 20 59.986 59.986 59.688 0.298 18916 3393 1 8 . 1 1 20 20 THR CB C 20 73.362 73.362 71.498 1.864 18916 3394 1 8 . 1 1 20 20 THR H H 20 7.242 7.242 8.282 -1.040 18916 3395 1 8 . 1 1 21 21 LYS N N 21 120.592 120.592 124.171 -3.579 18916 3396 1 8 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.753 -0.706 18916 3397 1 8 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.847 1.183 18916 3398 1 8 . 1 1 21 21 LYS CB C 21 34.826 34.826 31.883 2.943 18916 3399 1 8 . 1 1 21 21 LYS H H 21 7.718 7.718 8.610 -0.892 18916 3400 1 8 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.502 0.088 18916 3401 1 8 . 1 1 22 22 PRO C C 22 175.043 175.043 176.720 -1.677 18916 3402 1 8 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.409 0.539 18916 3403 1 8 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.877 1.663 18916 3404 1 8 . 1 1 23 23 GLY N N 23 105.352 105.352 106.205 -0.853 18916 3405 1 8 . 1 1 23 23 GLY C C 23 172.762 172.762 175.865 -3.103 18916 3406 1 8 . 1 1 23 23 GLY CA C 23 44.880 44.880 45.086 -0.206 18916 3407 1 8 . 1 1 23 23 GLY H H 23 8.356 8.356 8.647 -0.291 18916 3408 1 8 . 1 1 24 24 ARG N N 24 119.274 119.274 124.527 -5.253 18916 3409 1 8 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.649 -0.374 18916 3410 1 8 . 1 1 24 24 ARG C C 24 176.263 176.263 177.959 -1.696 18916 3411 1 8 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.626 1.294 18916 3412 1 8 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.531 0.800 18916 3413 1 8 . 1 1 24 24 ARG H H 24 7.813 7.813 8.745 -0.932 18916 3414 1 8 . 1 1 25 25 LEU N N 25 116.403 116.403 116.845 -0.442 18916 3415 1 8 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.290 -0.600 18916 3416 1 8 . 1 1 25 25 LEU C C 25 179.562 179.562 178.777 0.785 18916 3417 1 8 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.417 0.974 18916 3418 1 8 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.961 -0.117 18916 3419 1 8 . 1 1 25 25 LEU H H 25 8.156 8.156 7.997 0.159 18916 3420 1 8 . 1 1 26 26 GLN N N 26 118.294 118.294 119.118 -0.824 18916 3421 1 8 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.258 -0.292 18916 3422 1 8 . 1 1 26 26 GLN C C 26 179.358 179.358 178.564 0.794 18916 3423 1 8 . 1 1 26 26 GLN CA C 26 59.322 59.322 58.260 1.062 18916 3424 1 8 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.873 -0.817 18916 3425 1 8 . 1 1 26 26 GLN H H 26 7.423 7.423 7.646 -0.223 18916 3426 1 8 . 1 1 27 27 LEU N N 27 119.419 119.419 119.596 -0.177 18916 3427 1 8 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.717 0.211 18916 3428 1 8 . 1 1 27 27 LEU C C 27 178.777 178.777 179.033 -0.256 18916 3429 1 8 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.034 -0.010 18916 3430 1 8 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.672 0.218 18916 3431 1 8 . 1 1 27 27 LEU H H 27 8.127 8.127 7.718 0.409 18916 3432 1 8 . 1 1 28 28 HIS N N 28 118.332 118.332 117.401 0.931 18916 3433 1 8 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.933 -0.191 18916 3434 1 8 . 1 1 28 28 HIS C C 28 177.121 177.121 177.538 -0.417 18916 3435 1 8 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.730 -1.932 18916 3436 1 8 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.631 -0.190 18916 3437 1 8 . 1 1 28 28 HIS H H 28 8.727 8.727 8.201 0.526 18916 3438 1 8 . 1 1 29 29 GLU N N 29 116.699 116.699 119.916 -3.217 18916 3439 1 8 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.904 0.074 18916 3440 1 8 . 1 1 29 29 GLU C C 29 178.951 178.951 179.043 -0.092 18916 3441 1 8 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.136 0.140 18916 3442 1 8 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.469 0.215 18916 3443 1 8 . 1 1 29 29 GLU H H 29 7.518 7.518 7.706 -0.188 18916 3444 1 8 . 1 1 30 30 MET N N 30 118.090 118.090 117.630 0.460 18916 3445 1 8 . 1 1 30 30 MET HA H 30 4.055 4.055 4.256 -0.201 18916 3446 1 8 . 1 1 30 30 MET C C 30 177.992 177.992 178.921 -0.929 18916 3447 1 8 . 1 1 30 30 MET CA C 30 60.040 60.040 57.295 2.745 18916 3448 1 8 . 1 1 30 30 MET CB C 30 34.522 34.522 31.682 2.840 18916 3449 1 8 . 1 1 30 30 MET H H 30 7.766 7.766 7.939 -0.173 18916 3450 1 8 . 1 1 31 31 ILE N N 31 118.458 118.458 119.812 -1.354 18916 3451 1 8 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.542 -0.290 18916 3452 1 8 . 1 1 31 31 ILE C C 31 178.007 178.007 178.286 -0.279 18916 3453 1 8 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.158 -0.267 18916 3454 1 8 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.402 0.780 18916 3455 1 8 . 1 1 31 31 ILE H H 31 8.337 8.337 7.509 0.828 18916 3456 1 8 . 1 1 32 32 VAL N N 32 117.878 117.878 120.035 -2.157 18916 3457 1 8 . 1 1 32 32 VAL HA H 32 4.003 4.003 3.945 0.058 18916 3458 1 8 . 1 1 32 32 VAL C C 32 180.884 180.884 178.840 2.044 18916 3459 1 8 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.814 -0.438 18916 3460 1 8 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.726 0.271 18916 3461 1 8 . 1 1 32 32 VAL H H 32 7.888 7.888 7.784 0.104 18916 3462 1 8 . 1 1 33 33 LEU N N 33 123.609 123.609 118.922 4.687 18916 3463 1 8 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.060 0.013 18916 3464 1 8 . 1 1 33 33 LEU C C 33 177.498 177.498 177.793 -0.295 18916 3465 1 8 . 1 1 33 33 LEU CA C 33 57.662 57.662 57.230 0.432 18916 3466 1 8 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.715 1.575 18916 3467 1 8 . 1 1 33 33 LEU H H 33 8.281 8.281 7.886 0.395 18916 3468 1 8 . 1 1 34 34 HIS N N 34 113.272 113.272 115.405 -2.133 18916 3469 1 8 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.919 -0.204 18916 3470 1 8 . 1 1 34 34 HIS C C 34 175.464 175.464 175.742 -0.278 18916 3471 1 8 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.150 1.246 18916 3472 1 8 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.013 0.755 18916 3473 1 8 . 1 1 34 34 HIS H H 34 7.319 7.319 7.660 -0.341 18916 3474 1 8 . 1 1 35 35 GLY N N 35 104.307 104.307 107.137 -2.830 18916 3475 1 8 . 1 1 35 35 GLY C C 35 174.985 174.985 174.337 0.648 18916 3476 1 8 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.709 1.605 18916 3477 1 8 . 1 1 35 35 GLY H H 35 7.392 7.392 8.039 -0.647 18916 3478 1 8 . 1 1 36 36 GLY N N 36 108.630 108.630 107.441 1.189 18916 3479 1 8 . 1 1 36 36 GLY C C 36 171.701 171.701 173.076 -1.375 18916 3480 1 8 . 1 1 36 36 GLY CA C 36 44.392 44.392 43.939 0.453 18916 3481 1 8 . 1 1 36 36 GLY H H 36 8.763 8.763 7.882 0.881 18916 3482 1 8 . 1 1 37 37 LYS N N 37 115.119 115.119 122.080 -6.961 18916 3483 1 8 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.996 -0.382 18916 3484 1 8 . 1 1 37 37 LYS C C 37 174.302 174.302 175.239 -0.937 18916 3485 1 8 . 1 1 37 37 LYS CA C 37 54.319 54.319 54.228 0.091 18916 3486 1 8 . 1 1 37 37 LYS CB C 37 37.250 37.250 35.724 1.526 18916 3487 1 8 . 1 1 37 37 LYS H H 37 7.406 7.406 8.083 -0.677 18916 3488 1 8 . 1 1 38 38 PHE N N 38 117.196 117.196 120.383 -3.187 18916 3489 1 8 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.622 0.266 18916 3490 1 8 . 1 1 38 38 PHE C C 38 173.604 173.604 173.925 -0.321 18916 3491 1 8 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.062 -0.210 18916 3492 1 8 . 1 1 38 38 PHE CB C 38 43.379 43.379 41.763 1.616 18916 3493 1 8 . 1 1 38 38 PHE H H 38 7.844 7.844 8.317 -0.473 18916 3494 1 8 . 1 1 39 39 LEU N N 39 119.576 119.576 121.923 -2.347 18916 3495 1 8 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.740 -0.136 18916 3496 1 8 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.385 -0.724 18916 3497 1 8 . 1 1 39 39 LEU CB C 39 45.901 45.901 45.789 0.112 18916 3498 1 8 . 1 1 39 39 LEU H H 39 8.223 8.223 8.443 -0.220 18916 3499 1 8 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.389 0.250 18916 3500 1 8 . 1 1 40 40 HIS C C 40 174.694 174.694 174.612 0.082 18916 3501 1 8 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.711 0.959 18916 3502 1 8 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.395 1.495 18916 3503 1 8 . 1 1 41 41 TYR N N 41 115.005 115.005 117.811 -2.806 18916 3504 1 8 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.129 0.531 18916 3505 1 8 . 1 1 41 41 TYR C C 41 173.023 173.023 173.253 -0.230 18916 3506 1 8 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.205 -1.307 18916 3507 1 8 . 1 1 41 41 TYR CB C 41 40.313 40.313 40.294 0.019 18916 3508 1 8 . 1 1 41 41 TYR H H 41 7.363 7.363 7.485 -0.122 18916 3509 1 8 . 1 1 42 42 LEU N N 42 121.687 121.687 126.028 -4.341 18916 3510 1 8 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.270 -0.382 18916 3511 1 8 . 1 1 42 42 LEU CA C 42 54.041 54.041 53.608 0.433 18916 3512 1 8 . 1 1 42 42 LEU CB C 42 41.096 41.096 42.317 -1.221 18916 3513 1 8 . 1 1 42 42 LEU H H 42 8.252 8.252 7.563 0.689 18916 3514 1 8 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.845 -0.611 18916 3515 1 8 . 1 1 46 46 LYS CA C 46 56.885 56.885 55.828 1.056 18916 3516 1 8 . 1 1 46 46 LYS CB C 46 32.542 32.542 29.813 2.729 18916 3517 1 8 . 1 1 47 47 THR HA H 47 4.168 4.168 4.263 -0.095 18916 3518 1 8 . 1 1 47 47 THR C C 47 174.186 174.186 173.973 0.213 18916 3519 1 8 . 1 1 47 47 THR CA C 47 62.706 62.706 63.295 -0.589 18916 3520 1 8 . 1 1 47 47 THR CB C 47 69.762 69.762 69.366 0.396 18916 3521 1 8 . 1 1 48 48 VAL N N 48 123.218 123.218 120.751 2.467 18916 3522 1 8 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.345 -0.502 18916 3523 1 8 . 1 1 48 48 VAL C C 48 174.985 174.985 176.003 -1.018 18916 3524 1 8 . 1 1 48 48 VAL CA C 48 62.146 62.146 60.431 1.715 18916 3525 1 8 . 1 1 48 48 VAL CB C 48 33.167 33.167 34.237 -1.070 18916 3526 1 8 . 1 1 48 48 VAL H H 48 7.771 7.771 7.606 0.165 18916 3527 1 8 . 1 1 49 49 THR N N 49 116.982 116.982 116.971 0.011 18916 3528 1 8 . 1 1 49 49 THR HA H 49 4.319 4.319 4.337 -0.018 18916 3529 1 8 . 1 1 49 49 THR C C 49 176.118 176.118 174.623 1.495 18916 3530 1 8 . 1 1 49 49 THR CA C 49 62.831 62.831 62.452 0.379 18916 3531 1 8 . 1 1 49 49 THR CB C 49 69.114 69.114 70.081 -0.967 18916 3532 1 8 . 1 1 49 49 THR H H 49 9.798 9.798 8.627 1.171 18916 3533 1 8 . 1 1 50 50 HIS N N 50 121.799 121.799 119.314 2.485 18916 3534 1 8 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.253 -0.337 18916 3535 1 8 . 1 1 50 50 HIS C C 50 172.849 172.849 173.548 -0.699 18916 3536 1 8 . 1 1 50 50 HIS CA C 50 56.654 56.654 55.140 1.514 18916 3537 1 8 . 1 1 50 50 HIS CB C 50 34.649 34.649 33.780 0.869 18916 3538 1 8 . 1 1 50 50 HIS H H 50 7.596 7.596 8.240 -0.644 18916 3539 1 8 . 1 1 51 51 ILE N N 51 123.013 123.013 121.879 1.134 18916 3540 1 8 . 1 1 51 51 ILE HA H 51 4.980 4.980 5.146 -0.166 18916 3541 1 8 . 1 1 51 51 ILE C C 51 174.505 174.505 174.789 -0.284 18916 3542 1 8 . 1 1 51 51 ILE CA C 51 58.967 58.967 59.816 -0.849 18916 3543 1 8 . 1 1 51 51 ILE CB C 51 39.153 39.153 41.734 -2.581 18916 3544 1 8 . 1 1 51 51 ILE H H 51 8.996 8.996 8.433 0.563 18916 3545 1 8 . 1 1 52 52 VAL N N 52 127.413 127.413 125.402 2.011 18916 3546 1 8 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.687 0.615 18916 3547 1 8 . 1 1 52 52 VAL C C 52 174.084 174.084 174.649 -0.565 18916 3548 1 8 . 1 1 52 52 VAL CA C 52 59.207 59.207 61.401 -2.194 18916 3549 1 8 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.746 0.513 18916 3550 1 8 . 1 1 52 52 VAL H H 52 8.821 8.821 8.630 0.191 18916 3551 1 8 . 1 1 53 53 ALA N N 53 127.601 127.601 128.478 -0.877 18916 3552 1 8 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.147 -0.525 18916 3553 1 8 . 1 1 53 53 ALA C C 53 174.680 174.680 176.400 -1.720 18916 3554 1 8 . 1 1 53 53 ALA CA C 53 50.910 50.910 51.026 -0.116 18916 3555 1 8 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.405 0.755 18916 3556 1 8 . 1 1 53 53 ALA H H 53 8.967 8.967 8.726 0.241 18916 3557 1 8 . 1 1 54 54 SER N N 54 113.005 113.005 116.709 -3.704 18916 3558 1 8 . 1 1 54 54 SER HA H 54 4.657 4.657 4.346 0.311 18916 3559 1 8 . 1 1 54 54 SER C C 54 174.229 174.229 174.247 -0.018 18916 3560 1 8 . 1 1 54 54 SER CA C 54 59.671 59.671 60.956 -1.285 18916 3561 1 8 . 1 1 54 54 SER CB C 54 64.852 64.852 63.791 1.061 18916 3562 1 8 . 1 1 54 54 SER H H 54 9.303 9.303 8.854 0.449 18916 3563 1 8 . 1 1 55 55 ASN N N 55 117.475 117.475 116.952 0.523 18916 3564 1 8 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.860 -0.259 18916 3565 1 8 . 1 1 55 55 ASN C C 55 173.052 173.052 173.334 -0.282 18916 3566 1 8 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.898 0.227 18916 3567 1 8 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.783 -0.173 18916 3568 1 8 . 1 1 55 55 ASN H H 55 7.917 7.917 8.059 -0.142 18916 3569 1 8 . 1 1 56 56 LEU N N 56 122.146 122.146 125.116 -2.970 18916 3570 1 8 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.895 -0.095 18916 3571 1 8 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.980 -0.075 18916 3572 1 8 . 1 1 56 56 LEU CB C 56 44.592 44.592 44.502 0.090 18916 3573 1 8 . 1 1 56 56 LEU H H 56 8.792 8.792 8.510 0.282 18916 3574 1 8 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.824 -0.259 18916 3575 1 8 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.326 -0.136 18916 3576 1 8 . 1 1 57 57 PRO CB C 57 32.499 32.499 33.376 -0.877 18916 3577 1 8 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.938 -0.018 18916 3578 1 8 . 1 1 58 58 LEU C C 58 178.806 178.806 178.878 -0.072 18916 3579 1 8 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.978 0.194 18916 3580 1 8 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.456 0.133 18916 3581 1 8 . 1 1 59 59 LYS N N 59 115.039 115.039 118.541 -3.502 18916 3582 1 8 . 1 1 59 59 LYS HA H 59 3.972 3.972 3.991 -0.019 18916 3583 1 8 . 1 1 59 59 LYS C C 59 179.053 179.053 178.616 0.437 18916 3584 1 8 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.776 0.748 18916 3585 1 8 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.570 0.841 18916 3586 1 8 . 1 1 59 59 LYS H H 59 8.763 8.763 8.544 0.219 18916 3587 1 8 . 1 1 60 60 LYS N N 60 116.433 116.433 118.174 -1.741 18916 3588 1 8 . 1 1 60 60 LYS HA H 60 3.960 3.960 4.115 -0.155 18916 3589 1 8 . 1 1 60 60 LYS C C 60 176.874 176.874 179.523 -2.649 18916 3590 1 8 . 1 1 60 60 LYS CA C 60 55.721 55.721 57.638 -1.917 18916 3591 1 8 . 1 1 60 60 LYS CB C 60 31.933 31.933 32.093 -0.160 18916 3592 1 8 . 1 1 60 60 LYS H H 60 7.158 7.158 7.691 -0.533 18916 3593 1 8 . 1 1 61 61 ARG N N 61 120.369 120.369 119.919 0.450 18916 3594 1 8 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.200 -0.376 18916 3595 1 8 . 1 1 61 61 ARG C C 61 179.213 179.213 178.213 1.000 18916 3596 1 8 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.704 0.110 18916 3597 1 8 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.101 -0.231 18916 3598 1 8 . 1 1 61 61 ARG H H 61 7.902 7.902 7.981 -0.079 18916 3599 1 8 . 1 1 62 62 ILE N N 62 117.956 117.956 118.614 -0.658 18916 3600 1 8 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.780 0.028 18916 3601 1 8 . 1 1 62 62 ILE C C 62 178.966 178.966 178.296 0.670 18916 3602 1 8 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.792 -0.630 18916 3603 1 8 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.712 0.307 18916 3604 1 8 . 1 1 62 62 ILE H H 62 7.727 7.727 7.614 0.113 18916 3605 1 8 . 1 1 63 63 GLU N N 63 121.877 121.877 119.981 1.896 18916 3606 1 8 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.072 -0.122 18916 3607 1 8 . 1 1 63 63 GLU C C 63 178.792 178.792 177.544 1.248 18916 3608 1 8 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.028 1.274 18916 3609 1 8 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.452 0.370 18916 3610 1 8 . 1 1 63 63 GLU H H 63 7.713 7.713 7.929 -0.216 18916 3611 1 8 . 1 1 64 64 PHE N N 64 115.684 115.684 117.416 -1.732 18916 3612 1 8 . 1 1 64 64 PHE HA H 64 5.078 5.078 5.092 -0.014 18916 3613 1 8 . 1 1 64 64 PHE C C 64 175.886 175.886 175.315 0.571 18916 3614 1 8 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.957 -2.098 18916 3615 1 8 . 1 1 64 64 PHE CB C 64 37.431 37.431 38.298 -0.867 18916 3616 1 8 . 1 1 64 64 PHE H H 64 8.077 8.077 7.873 0.204 18916 3617 1 8 . 1 1 65 65 ALA N N 65 122.616 122.616 124.237 -1.621 18916 3618 1 8 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.229 -0.065 18916 3619 1 8 . 1 1 65 65 ALA C C 65 178.356 178.356 178.255 0.101 18916 3620 1 8 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.847 0.574 18916 3621 1 8 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.871 0.372 18916 3622 1 8 . 1 1 65 65 ALA H H 65 7.290 7.290 7.228 0.062 18916 3623 1 8 . 1 1 66 66 ASN N N 66 112.567 112.567 114.691 -2.124 18916 3624 1 8 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.592 0.013 18916 3625 1 8 . 1 1 66 66 ASN C C 66 174.374 174.374 174.468 -0.094 18916 3626 1 8 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.224 -0.870 18916 3627 1 8 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.677 -0.758 18916 3628 1 8 . 1 1 66 66 ASN H H 66 8.602 8.602 8.590 0.012 18916 3629 1 8 . 1 1 67 67 TYR N N 67 118.682 118.682 118.074 0.608 18916 3630 1 8 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.499 0.029 18916 3631 1 8 . 1 1 67 67 TYR C C 67 175.072 175.072 175.852 -0.780 18916 3632 1 8 . 1 1 67 67 TYR CA C 67 56.641 56.641 57.472 -0.831 18916 3633 1 8 . 1 1 67 67 TYR CB C 67 40.822 40.822 38.414 2.408 18916 3634 1 8 . 1 1 67 67 TYR H H 67 7.873 7.873 7.606 0.267 18916 3635 1 8 . 1 1 68 68 LYS N N 68 121.419 121.419 125.599 -4.180 18916 3636 1 8 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.319 -0.519 18916 3637 1 8 . 1 1 68 68 LYS C C 68 174.491 174.491 176.364 -1.873 18916 3638 1 8 . 1 1 68 68 LYS CA C 68 56.246 56.246 55.349 0.897 18916 3639 1 8 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.076 2.588 18916 3640 1 8 . 1 1 68 68 LYS H H 68 7.771 7.771 8.169 -0.398 18916 3641 1 8 . 1 1 69 69 VAL N N 69 126.113 126.113 121.847 4.266 18916 3642 1 8 . 1 1 69 69 VAL HA H 69 5.182 5.182 5.032 0.150 18916 3643 1 8 . 1 1 69 69 VAL C C 69 176.365 176.365 175.263 1.102 18916 3644 1 8 . 1 1 69 69 VAL CA C 69 60.879 60.879 61.526 -0.647 18916 3645 1 8 . 1 1 69 69 VAL CB C 69 32.355 32.355 31.994 0.361 18916 3646 1 8 . 1 1 69 69 VAL H H 69 8.384 8.384 8.018 0.366 18916 3647 1 8 . 1 1 70 70 VAL N N 70 120.358 120.358 119.735 0.623 18916 3648 1 8 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.236 0.141 18916 3649 1 8 . 1 1 70 70 VAL C C 70 174.040 174.040 175.183 -1.143 18916 3650 1 8 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.895 -1.046 18916 3651 1 8 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.730 1.022 18916 3652 1 8 . 1 1 70 70 VAL H H 70 9.390 9.390 8.932 0.458 18916 3653 1 8 . 1 1 71 71 SER N N 71 114.634 114.634 116.328 -1.694 18916 3654 1 8 . 1 1 71 71 SER HA H 71 5.630 5.630 5.590 0.040 18916 3655 1 8 . 1 1 71 71 SER CA C 71 60.584 60.584 55.603 4.981 18916 3656 1 8 . 1 1 71 71 SER CB C 71 60.367 60.367 62.427 -2.060 18916 3657 1 8 . 1 1 71 71 SER H H 71 8.354 8.354 8.182 0.172 18916 3658 1 8 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.311 -0.175 18916 3659 1 8 . 1 1 72 72 PRO C C 72 177.193 177.193 177.695 -0.502 18916 3660 1 8 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.377 -0.315 18916 3661 1 8 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.820 0.519 18916 3662 1 8 . 1 1 73 73 ASP N N 73 115.868 115.868 118.593 -2.725 18916 3663 1 8 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.271 -0.070 18916 3664 1 8 . 1 1 73 73 ASP C C 73 175.450 175.450 177.740 -2.290 18916 3665 1 8 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.032 -1.606 18916 3666 1 8 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.859 -0.504 18916 3667 1 8 . 1 1 73 73 ASP H H 73 8.427 8.427 8.468 -0.041 18916 3668 1 8 . 1 1 74 74 TRP N N 74 121.252 121.252 121.664 -0.412 18916 3669 1 8 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.594 -0.976 18916 3670 1 8 . 1 1 74 74 TRP C C 74 178.472 178.472 177.351 1.121 18916 3671 1 8 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.679 -0.664 18916 3672 1 8 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.315 -0.585 18916 3673 1 8 . 1 1 74 74 TRP H H 74 7.833 7.833 7.456 0.377 18916 3674 1 8 . 1 1 75 75 ILE N N 75 116.185 116.185 119.096 -2.911 18916 3675 1 8 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.563 -0.319 18916 3676 1 8 . 1 1 75 75 ILE C C 75 176.728 176.728 177.929 -1.201 18916 3677 1 8 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.704 -1.809 18916 3678 1 8 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.417 -0.196 18916 3679 1 8 . 1 1 75 75 ILE H H 75 6.969 6.969 7.348 -0.379 18916 3680 1 8 . 1 1 76 76 VAL N N 76 117.042 117.042 119.832 -2.790 18916 3681 1 8 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.500 -0.304 18916 3682 1 8 . 1 1 76 76 VAL C C 76 178.675 178.675 178.224 0.451 18916 3683 1 8 . 1 1 76 76 VAL CA C 76 66.945 66.945 66.727 0.218 18916 3684 1 8 . 1 1 76 76 VAL CB C 76 32.645 32.645 30.803 1.842 18916 3685 1 8 . 1 1 76 76 VAL H H 76 7.056 7.056 7.706 -0.650 18916 3686 1 8 . 1 1 77 77 ASP N N 77 120.009 120.009 119.102 0.907 18916 3687 1 8 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.374 -0.070 18916 3688 1 8 . 1 1 77 77 ASP C C 77 178.515 178.515 178.347 0.168 18916 3689 1 8 . 1 1 77 77 ASP CA C 77 56.998 56.998 56.942 0.056 18916 3690 1 8 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.632 -1.782 18916 3691 1 8 . 1 1 77 77 ASP H H 77 9.171 9.171 7.924 1.247 18916 3692 1 8 . 1 1 78 78 SER N N 78 117.973 117.973 116.285 1.688 18916 3693 1 8 . 1 1 78 78 SER HA H 78 4.391 4.391 4.057 0.334 18916 3694 1 8 . 1 1 78 78 SER C C 78 175.290 175.290 176.268 -0.978 18916 3695 1 8 . 1 1 78 78 SER CA C 78 62.948 62.948 62.156 0.792 18916 3696 1 8 . 1 1 78 78 SER CB C 78 63.080 63.080 62.989 0.091 18916 3697 1 8 . 1 1 78 78 SER H H 78 7.056 7.056 7.662 -0.606 18916 3698 1 8 . 1 1 79 79 VAL N N 79 119.889 119.889 120.947 -1.058 18916 3699 1 8 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.598 -0.690 18916 3700 1 8 . 1 1 79 79 VAL C C 79 179.169 179.169 177.623 1.546 18916 3701 1 8 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.594 1.270 18916 3702 1 8 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.613 -0.783 18916 3703 1 8 . 1 1 79 79 VAL H H 79 7.596 7.596 7.398 0.198 18916 3704 1 8 . 1 1 80 80 LYS N N 80 121.062 121.062 117.794 3.268 18916 3705 1 8 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.089 -0.199 18916 3706 1 8 . 1 1 80 80 LYS C C 80 178.806 178.806 178.156 0.650 18916 3707 1 8 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.225 1.554 18916 3708 1 8 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.294 0.037 18916 3709 1 8 . 1 1 80 80 LYS H H 80 7.946 7.946 7.669 0.277 18916 3710 1 8 . 1 1 81 81 GLU N N 81 115.870 115.870 115.729 0.141 18916 3711 1 8 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.399 -0.271 18916 3712 1 8 . 1 1 81 81 GLU C C 81 174.912 174.912 175.932 -1.020 18916 3713 1 8 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.829 0.641 18916 3714 1 8 . 1 1 81 81 GLU CB C 81 29.613 29.613 30.660 -1.047 18916 3715 1 8 . 1 1 81 81 GLU H H 81 8.063 8.063 7.675 0.388 18916 3716 1 8 . 1 1 82 82 ALA N N 82 122.380 122.380 120.666 1.714 18916 3717 1 8 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.935 -0.227 18916 3718 1 8 . 1 1 82 82 ALA C C 82 175.711 175.711 175.677 0.034 18916 3719 1 8 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.441 -0.980 18916 3720 1 8 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.291 -0.710 18916 3721 1 8 . 1 1 82 82 ALA H H 82 7.931 7.931 7.860 0.071 18916 3722 1 8 . 1 1 83 83 ARG N N 83 115.619 115.619 114.773 0.846 18916 3723 1 8 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.559 -0.369 18916 3724 1 8 . 1 1 83 83 ARG C C 83 172.050 172.050 173.848 -1.798 18916 3725 1 8 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.894 1.268 18916 3726 1 8 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.720 -0.365 18916 3727 1 8 . 1 1 83 83 ARG H H 83 8.165 8.165 7.792 0.373 18916 3728 1 8 . 1 1 84 84 LEU N N 84 120.648 120.648 122.998 -2.350 18916 3729 1 8 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.267 -0.551 18916 3730 1 8 . 1 1 84 84 LEU C C 84 176.917 176.917 175.520 1.397 18916 3731 1 8 . 1 1 84 84 LEU CA C 84 54.985 54.985 54.095 0.890 18916 3732 1 8 . 1 1 84 84 LEU CB C 84 41.311 41.311 41.557 -0.246 18916 3733 1 8 . 1 1 84 84 LEU H H 84 8.325 8.325 8.408 -0.083 18916 3734 1 8 . 1 1 85 85 LEU N N 85 132.955 132.955 129.422 3.533 18916 3735 1 8 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.877 -0.280 18916 3736 1 8 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.895 1.753 18916 3737 1 8 . 1 1 85 85 LEU CB C 85 40.363 40.363 42.365 -2.002 18916 3738 1 8 . 1 1 85 85 LEU H H 85 7.946 7.946 7.935 0.011 18916 3739 1 8 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.653 -0.068 18916 3740 1 8 . 1 1 86 86 PRO C C 86 178.835 178.835 178.191 0.644 18916 3741 1 8 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.270 0.505 18916 3742 1 8 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.578 -0.029 18916 3743 1 8 . 1 1 87 87 TRP N N 87 128.323 128.323 126.460 1.863 18916 3744 1 8 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.468 0.167 18916 3745 1 8 . 1 1 87 87 TRP C C 87 177.963 177.963 177.030 0.933 18916 3746 1 8 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.628 -0.075 18916 3747 1 8 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.535 -0.574 18916 3748 1 8 . 1 1 87 87 TRP H H 87 8.369 8.369 8.902 -0.533 18916 3749 1 8 . 1 1 88 88 GLN N N 88 120.928 120.928 116.893 4.035 18916 3750 1 8 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.260 -0.355 18916 3751 1 8 . 1 1 88 88 GLN C C 88 178.196 178.196 176.321 1.875 18916 3752 1 8 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.174 2.748 18916 3753 1 8 . 1 1 88 88 GLN CB C 88 26.460 26.460 26.792 -0.332 18916 3754 1 8 . 1 1 88 88 GLN H H 88 8.354 8.354 7.300 1.054 18916 3755 1 8 . 1 1 89 89 ASN N N 89 116.452 116.452 116.637 -0.185 18916 3756 1 8 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.340 -0.041 18916 3757 1 8 . 1 1 89 89 ASN C C 89 174.752 174.752 175.719 -0.967 18916 3758 1 8 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.636 -0.505 18916 3759 1 8 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.994 -1.633 18916 3760 1 8 . 1 1 89 89 ASN H H 89 7.304 7.304 7.402 -0.098 18916 3761 1 8 . 1 1 90 90 TYR N N 90 118.336 118.336 115.163 3.173 18916 3762 1 8 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.623 -0.009 18916 3763 1 8 . 1 1 90 90 TYR C C 90 174.534 174.534 174.687 -0.153 18916 3764 1 8 . 1 1 90 90 TYR CA C 90 57.534 57.534 56.446 1.088 18916 3765 1 8 . 1 1 90 90 TYR CB C 90 40.153 40.153 39.289 0.864 18916 3766 1 8 . 1 1 90 90 TYR H H 90 8.048 8.048 7.605 0.443 18916 3767 1 8 . 1 1 91 91 SER N N 91 114.053 114.053 116.692 -2.639 18916 3768 1 8 . 1 1 91 91 SER HA H 91 5.015 5.015 4.646 0.369 18916 3769 1 8 . 1 1 91 91 SER C C 91 176.205 176.205 174.728 1.477 18916 3770 1 8 . 1 1 91 91 SER CA C 91 58.037 58.037 58.414 -0.377 18916 3771 1 8 . 1 1 91 91 SER CB C 91 64.342 64.342 62.300 2.042 18916 3772 1 8 . 1 1 91 91 SER H H 91 7.012 7.012 7.514 -0.502 18916 3773 1 8 . 1 1 92 92 LEU N N 92 126.106 126.106 125.298 0.808 18916 3774 1 8 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.310 0.295 18916 3775 1 8 . 1 1 92 92 LEU C C 92 177.687 177.687 177.758 -0.071 18916 3776 1 8 . 1 1 92 92 LEU CA C 92 55.405 55.405 55.828 -0.423 18916 3777 1 8 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.457 1.430 18916 3778 1 8 . 1 1 92 92 LEU H H 92 8.777 8.777 8.500 0.277 18916 3779 1 8 . 1 1 93 93 THR N N 93 112.458 112.458 111.946 0.512 18916 3780 1 8 . 1 1 93 93 THR HA H 93 4.489 4.489 4.272 0.217 18916 3781 1 8 . 1 1 93 93 THR C C 93 173.851 173.851 174.929 -1.078 18916 3782 1 8 . 1 1 93 93 THR CA C 93 61.318 61.318 64.397 -3.079 18916 3783 1 8 . 1 1 93 93 THR CB C 93 69.853 69.853 69.502 0.351 18916 3784 1 8 . 1 1 93 93 THR H H 93 8.252 8.252 7.772 0.480 18916 3785 1 9 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.053 -0.271 18916 3786 1 9 . 1 1 4 4 GLN CA C 4 56.878 56.878 56.432 0.446 18916 3787 1 9 . 1 1 4 4 GLN CB C 4 29.441 29.441 26.747 2.694 18916 3788 1 9 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.659 -0.105 18916 3789 1 9 . 1 1 7 7 LYS C C 7 178.298 178.298 178.133 0.165 18916 3790 1 9 . 1 1 7 7 LYS CA C 7 54.750 54.750 55.574 -0.824 18916 3791 1 9 . 1 1 7 7 LYS CB C 7 32.593 32.593 31.747 0.846 18916 3792 1 9 . 1 1 8 8 ILE N N 8 119.676 119.676 121.281 -1.605 18916 3793 1 9 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.640 -0.056 18916 3794 1 9 . 1 1 8 8 ILE C C 8 177.164 177.164 176.196 0.968 18916 3795 1 9 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.181 1.731 18916 3796 1 9 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.698 1.276 18916 3797 1 9 . 1 1 8 8 ILE H H 8 7.633 7.633 7.612 0.021 18916 3798 1 9 . 1 1 9 9 PHE N N 9 113.639 113.639 112.488 1.151 18916 3799 1 9 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.787 0.125 18916 3800 1 9 . 1 1 9 9 PHE C C 9 174.520 174.520 176.429 -1.909 18916 3801 1 9 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.638 0.401 18916 3802 1 9 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.512 -0.798 18916 3803 1 9 . 1 1 9 9 PHE H H 9 8.403 8.403 7.629 0.774 18916 3804 1 9 . 1 1 10 10 LYS N N 10 120.104 120.104 122.642 -2.538 18916 3805 1 9 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.258 -0.115 18916 3806 1 9 . 1 1 10 10 LYS C C 10 177.600 177.600 177.960 -0.360 18916 3807 1 9 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.572 -0.064 18916 3808 1 9 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.266 0.174 18916 3809 1 9 . 1 1 10 10 LYS H H 10 7.328 7.328 7.562 -0.234 18916 3810 1 9 . 1 1 11 11 ASN N N 11 116.960 116.960 115.738 1.222 18916 3811 1 9 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.633 -0.088 18916 3812 1 9 . 1 1 11 11 ASN C C 11 175.566 175.566 175.114 0.452 18916 3813 1 9 . 1 1 11 11 ASN CA C 11 55.479 55.479 54.590 0.889 18916 3814 1 9 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.954 -1.426 18916 3815 1 9 . 1 1 11 11 ASN H H 11 8.984 8.984 8.876 0.108 18916 3816 1 9 . 1 1 12 12 CYS N N 12 118.344 118.344 118.417 -0.073 18916 3817 1 9 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.693 0.433 18916 3818 1 9 . 1 1 12 12 CYS C C 12 175.014 175.014 173.593 1.421 18916 3819 1 9 . 1 1 12 12 CYS CA C 12 59.549 59.549 59.502 0.047 18916 3820 1 9 . 1 1 12 12 CYS CB C 12 29.319 29.319 29.329 -0.010 18916 3821 1 9 . 1 1 12 12 CYS H H 12 8.460 8.460 8.037 0.423 18916 3822 1 9 . 1 1 13 13 VAL N N 13 128.765 128.765 123.534 5.231 18916 3823 1 9 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.861 -0.472 18916 3824 1 9 . 1 1 13 13 VAL C C 13 174.912 174.912 174.960 -0.048 18916 3825 1 9 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.784 0.510 18916 3826 1 9 . 1 1 13 13 VAL CB C 13 33.468 33.468 33.484 -0.016 18916 3827 1 9 . 1 1 13 13 VAL H H 13 9.878 9.878 8.699 1.179 18916 3828 1 9 . 1 1 14 14 ILE N N 14 128.270 128.270 126.741 1.529 18916 3829 1 9 . 1 1 14 14 ILE HA H 14 5.200 5.200 4.867 0.333 18916 3830 1 9 . 1 1 14 14 ILE C C 14 174.098 174.098 175.000 -0.902 18916 3831 1 9 . 1 1 14 14 ILE CA C 14 60.304 60.304 60.040 0.264 18916 3832 1 9 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.597 0.947 18916 3833 1 9 . 1 1 14 14 ILE H H 14 8.841 8.841 8.602 0.239 18916 3834 1 9 . 1 1 15 15 TYR N N 15 125.475 125.475 128.654 -3.179 18916 3835 1 9 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.650 -0.541 18916 3836 1 9 . 1 1 15 15 TYR C C 15 173.023 173.023 173.943 -0.920 18916 3837 1 9 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.218 0.668 18916 3838 1 9 . 1 1 15 15 TYR CB C 15 42.813 42.813 42.589 0.224 18916 3839 1 9 . 1 1 15 15 TYR H H 15 8.023 8.023 9.011 -0.988 18916 3840 1 9 . 1 1 16 16 ILE N N 16 128.262 128.262 125.139 3.123 18916 3841 1 9 . 1 1 16 16 ILE HA H 16 4.367 4.367 3.915 0.452 18916 3842 1 9 . 1 1 16 16 ILE C C 16 173.895 173.895 173.525 0.370 18916 3843 1 9 . 1 1 16 16 ILE CA C 16 59.688 59.688 59.883 -0.195 18916 3844 1 9 . 1 1 16 16 ILE CB C 16 36.912 36.912 39.149 -2.237 18916 3845 1 9 . 1 1 16 16 ILE H H 16 8.708 8.708 8.159 0.549 18916 3846 1 9 . 1 1 17 17 ASN N N 17 126.842 126.842 125.500 1.342 18916 3847 1 9 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.666 -0.005 18916 3848 1 9 . 1 1 17 17 ASN C C 17 174.171 174.171 175.285 -1.114 18916 3849 1 9 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.342 1.545 18916 3850 1 9 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.032 1.912 18916 3851 1 9 . 1 1 17 17 ASN H H 17 8.974 8.974 8.239 0.735 18916 3852 1 9 . 1 1 18 18 GLY N N 18 113.508 113.508 113.725 -0.217 18916 3853 1 9 . 1 1 18 18 GLY C C 18 172.529 172.529 172.950 -0.421 18916 3854 1 9 . 1 1 18 18 GLY CA C 18 45.185 45.185 45.257 -0.072 18916 3855 1 9 . 1 1 18 18 GLY H H 18 8.727 8.727 8.393 0.334 18916 3856 1 9 . 1 1 19 19 TYR N N 19 121.021 121.021 123.984 -2.963 18916 3857 1 9 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.735 -0.285 18916 3858 1 9 . 1 1 19 19 TYR C C 19 176.147 176.147 174.606 1.541 18916 3859 1 9 . 1 1 19 19 TYR CA C 19 58.982 58.982 56.785 2.197 18916 3860 1 9 . 1 1 19 19 TYR CB C 19 38.701 38.701 39.630 -0.929 18916 3861 1 9 . 1 1 19 19 TYR H H 19 8.651 8.651 8.174 0.477 18916 3862 1 9 . 1 1 20 20 THR N N 20 117.677 117.677 114.022 3.655 18916 3863 1 9 . 1 1 20 20 THR HA H 20 4.279 4.279 4.508 -0.229 18916 3864 1 9 . 1 1 20 20 THR C C 20 171.803 171.803 173.119 -1.316 18916 3865 1 9 . 1 1 20 20 THR CA C 20 59.986 59.986 60.523 -0.536 18916 3866 1 9 . 1 1 20 20 THR CB C 20 73.362 73.362 71.490 1.872 18916 3867 1 9 . 1 1 20 20 THR H H 20 7.242 7.242 8.424 -1.182 18916 3868 1 9 . 1 1 21 21 LYS N N 21 120.592 120.592 123.477 -2.885 18916 3869 1 9 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.758 -0.711 18916 3870 1 9 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.463 1.567 18916 3871 1 9 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.485 2.341 18916 3872 1 9 . 1 1 21 21 LYS H H 21 7.718 7.718 8.425 -0.707 18916 3873 1 9 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.439 0.151 18916 3874 1 9 . 1 1 22 22 PRO C C 22 175.043 175.043 176.780 -1.737 18916 3875 1 9 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.377 0.571 18916 3876 1 9 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.437 2.103 18916 3877 1 9 . 1 1 23 23 GLY N N 23 105.352 105.352 105.828 -0.476 18916 3878 1 9 . 1 1 23 23 GLY C C 23 172.762 172.762 176.060 -3.298 18916 3879 1 9 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.877 0.003 18916 3880 1 9 . 1 1 23 23 GLY H H 23 8.356 8.356 8.447 -0.091 18916 3881 1 9 . 1 1 24 24 ARG N N 24 119.274 119.274 123.323 -4.049 18916 3882 1 9 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.638 -0.363 18916 3883 1 9 . 1 1 24 24 ARG C C 24 176.263 176.263 177.971 -1.708 18916 3884 1 9 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.636 1.284 18916 3885 1 9 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.617 0.714 18916 3886 1 9 . 1 1 24 24 ARG H H 24 7.813 7.813 8.709 -0.896 18916 3887 1 9 . 1 1 25 25 LEU N N 25 116.403 116.403 115.411 0.992 18916 3888 1 9 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.415 -0.725 18916 3889 1 9 . 1 1 25 25 LEU C C 25 179.562 179.562 178.629 0.933 18916 3890 1 9 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.161 1.230 18916 3891 1 9 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.980 -0.136 18916 3892 1 9 . 1 1 25 25 LEU H H 25 8.156 8.156 7.962 0.194 18916 3893 1 9 . 1 1 26 26 GLN N N 26 118.294 118.294 119.469 -1.175 18916 3894 1 9 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.057 -0.091 18916 3895 1 9 . 1 1 26 26 GLN C C 26 179.358 179.358 178.373 0.985 18916 3896 1 9 . 1 1 26 26 GLN CA C 26 59.322 59.322 58.063 1.259 18916 3897 1 9 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.253 -0.196 18916 3898 1 9 . 1 1 26 26 GLN H H 26 7.423 7.423 7.494 -0.071 18916 3899 1 9 . 1 1 27 27 LEU N N 27 119.419 119.419 119.488 -0.069 18916 3900 1 9 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.761 0.167 18916 3901 1 9 . 1 1 27 27 LEU C C 27 178.777 178.777 179.008 -0.231 18916 3902 1 9 . 1 1 27 27 LEU CA C 27 58.024 58.024 57.939 0.085 18916 3903 1 9 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.479 0.411 18916 3904 1 9 . 1 1 27 27 LEU H H 27 8.127 8.127 7.837 0.290 18916 3905 1 9 . 1 1 28 28 HIS N N 28 118.332 118.332 117.241 1.091 18916 3906 1 9 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.796 -0.054 18916 3907 1 9 . 1 1 28 28 HIS C C 28 177.121 177.121 177.708 -0.587 18916 3908 1 9 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.116 -1.318 18916 3909 1 9 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.202 0.239 18916 3910 1 9 . 1 1 28 28 HIS H H 28 8.727 8.727 7.883 0.844 18916 3911 1 9 . 1 1 29 29 GLU N N 29 116.699 116.699 119.026 -2.327 18916 3912 1 9 . 1 1 29 29 GLU HA H 29 3.978 3.978 4.001 -0.023 18916 3913 1 9 . 1 1 29 29 GLU C C 29 178.951 178.951 178.435 0.516 18916 3914 1 9 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.188 0.088 18916 3915 1 9 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.653 0.031 18916 3916 1 9 . 1 1 29 29 GLU H H 29 7.518 7.518 7.727 -0.209 18916 3917 1 9 . 1 1 30 30 MET N N 30 118.090 118.090 118.917 -0.827 18916 3918 1 9 . 1 1 30 30 MET HA H 30 4.055 4.055 4.145 -0.090 18916 3919 1 9 . 1 1 30 30 MET C C 30 177.992 177.992 178.891 -0.899 18916 3920 1 9 . 1 1 30 30 MET CA C 30 60.040 60.040 59.319 0.721 18916 3921 1 9 . 1 1 30 30 MET CB C 30 34.522 34.522 32.441 2.081 18916 3922 1 9 . 1 1 30 30 MET H H 30 7.766 7.766 7.963 -0.197 18916 3923 1 9 . 1 1 31 31 ILE N N 31 118.458 118.458 119.743 -1.285 18916 3924 1 9 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.375 -0.123 18916 3925 1 9 . 1 1 31 31 ILE C C 31 178.007 178.007 178.110 -0.103 18916 3926 1 9 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.331 -0.440 18916 3927 1 9 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.347 0.835 18916 3928 1 9 . 1 1 31 31 ILE H H 31 8.337 8.337 7.761 0.576 18916 3929 1 9 . 1 1 32 32 VAL N N 32 117.878 117.878 120.866 -2.988 18916 3930 1 9 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.147 -0.144 18916 3931 1 9 . 1 1 32 32 VAL C C 32 180.884 180.884 178.901 1.983 18916 3932 1 9 . 1 1 32 32 VAL CA C 32 65.376 65.376 66.635 -1.260 18916 3933 1 9 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.778 0.219 18916 3934 1 9 . 1 1 32 32 VAL H H 32 7.888 7.888 7.626 0.262 18916 3935 1 9 . 1 1 33 33 LEU N N 33 123.609 123.609 116.167 7.442 18916 3936 1 9 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.167 -0.094 18916 3937 1 9 . 1 1 33 33 LEU C C 33 177.498 177.498 177.488 0.010 18916 3938 1 9 . 1 1 33 33 LEU CA C 33 57.662 57.662 56.115 1.546 18916 3939 1 9 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.494 1.796 18916 3940 1 9 . 1 1 33 33 LEU H H 33 8.281 8.281 7.908 0.373 18916 3941 1 9 . 1 1 34 34 HIS N N 34 113.272 113.272 115.362 -2.090 18916 3942 1 9 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.951 -0.236 18916 3943 1 9 . 1 1 34 34 HIS C C 34 175.464 175.464 175.872 -0.408 18916 3944 1 9 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.126 1.270 18916 3945 1 9 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.468 0.300 18916 3946 1 9 . 1 1 34 34 HIS H H 34 7.319 7.319 7.573 -0.254 18916 3947 1 9 . 1 1 35 35 GLY N N 35 104.307 104.307 107.043 -2.736 18916 3948 1 9 . 1 1 35 35 GLY C C 35 174.985 174.985 175.316 -0.331 18916 3949 1 9 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.355 1.959 18916 3950 1 9 . 1 1 35 35 GLY H H 35 7.392 7.392 8.088 -0.696 18916 3951 1 9 . 1 1 36 36 GLY N N 36 108.630 108.630 109.511 -0.881 18916 3952 1 9 . 1 1 36 36 GLY C C 36 171.701 171.701 172.905 -1.204 18916 3953 1 9 . 1 1 36 36 GLY CA C 36 44.392 44.392 44.273 0.119 18916 3954 1 9 . 1 1 36 36 GLY H H 36 8.763 8.763 8.247 0.516 18916 3955 1 9 . 1 1 37 37 LYS N N 37 115.119 115.119 121.241 -6.122 18916 3956 1 9 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.804 -0.190 18916 3957 1 9 . 1 1 37 37 LYS C C 37 174.302 174.302 175.102 -0.800 18916 3958 1 9 . 1 1 37 37 LYS CA C 37 54.319 54.319 54.374 -0.055 18916 3959 1 9 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.090 1.160 18916 3960 1 9 . 1 1 37 37 LYS H H 37 7.406 7.406 8.062 -0.656 18916 3961 1 9 . 1 1 38 38 PHE N N 38 117.196 117.196 119.953 -2.757 18916 3962 1 9 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.312 0.576 18916 3963 1 9 . 1 1 38 38 PHE C C 38 173.604 173.604 173.596 0.008 18916 3964 1 9 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.589 -0.737 18916 3965 1 9 . 1 1 38 38 PHE CB C 38 43.379 43.379 42.059 1.320 18916 3966 1 9 . 1 1 38 38 PHE H H 38 7.844 7.844 8.001 -0.157 18916 3967 1 9 . 1 1 39 39 LEU N N 39 119.576 119.576 122.245 -2.669 18916 3968 1 9 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.821 -0.217 18916 3969 1 9 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.624 -0.963 18916 3970 1 9 . 1 1 39 39 LEU CB C 39 45.901 45.901 44.164 1.737 18916 3971 1 9 . 1 1 39 39 LEU H H 39 8.223 8.223 8.317 -0.094 18916 3972 1 9 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.459 0.180 18916 3973 1 9 . 1 1 40 40 HIS C C 40 174.694 174.694 174.701 -0.007 18916 3974 1 9 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.658 1.012 18916 3975 1 9 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.699 1.191 18916 3976 1 9 . 1 1 41 41 TYR N N 41 115.005 115.005 117.827 -2.822 18916 3977 1 9 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.478 0.182 18916 3978 1 9 . 1 1 41 41 TYR C C 41 173.023 173.023 173.667 -0.644 18916 3979 1 9 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.238 -1.340 18916 3980 1 9 . 1 1 41 41 TYR CB C 41 40.313 40.313 40.791 -0.478 18916 3981 1 9 . 1 1 41 41 TYR H H 41 7.363 7.363 7.791 -0.428 18916 3982 1 9 . 1 1 42 42 LEU N N 42 121.687 121.687 123.362 -1.675 18916 3983 1 9 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.420 -0.532 18916 3984 1 9 . 1 1 42 42 LEU CA C 42 54.041 54.041 53.817 0.224 18916 3985 1 9 . 1 1 42 42 LEU CB C 42 41.096 41.096 42.814 -1.718 18916 3986 1 9 . 1 1 42 42 LEU H H 42 8.252 8.252 7.411 0.841 18916 3987 1 9 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.618 -0.384 18916 3988 1 9 . 1 1 46 46 LYS CA C 46 56.885 56.885 56.357 0.528 18916 3989 1 9 . 1 1 46 46 LYS CB C 46 32.542 32.542 30.009 2.533 18916 3990 1 9 . 1 1 47 47 THR HA H 47 4.168 4.168 4.202 -0.034 18916 3991 1 9 . 1 1 47 47 THR C C 47 174.186 174.186 174.484 -0.298 18916 3992 1 9 . 1 1 47 47 THR CA C 47 62.706 62.706 63.442 -0.736 18916 3993 1 9 . 1 1 47 47 THR CB C 47 69.762 69.762 69.436 0.326 18916 3994 1 9 . 1 1 48 48 VAL N N 48 123.218 123.218 119.937 3.281 18916 3995 1 9 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.170 -0.327 18916 3996 1 9 . 1 1 48 48 VAL C C 48 174.985 174.985 175.201 -0.216 18916 3997 1 9 . 1 1 48 48 VAL CA C 48 62.146 62.146 61.878 0.268 18916 3998 1 9 . 1 1 48 48 VAL CB C 48 33.167 33.167 33.528 -0.361 18916 3999 1 9 . 1 1 48 48 VAL H H 48 7.771 7.771 7.722 0.049 18916 4000 1 9 . 1 1 49 49 THR N N 49 116.982 116.982 118.863 -1.881 18916 4001 1 9 . 1 1 49 49 THR HA H 49 4.319 4.319 4.516 -0.197 18916 4002 1 9 . 1 1 49 49 THR C C 49 176.118 176.118 173.945 2.173 18916 4003 1 9 . 1 1 49 49 THR CA C 49 62.831 62.831 61.833 0.998 18916 4004 1 9 . 1 1 49 49 THR CB C 49 69.114 69.114 70.048 -0.934 18916 4005 1 9 . 1 1 49 49 THR H H 49 9.798 9.798 8.267 1.531 18916 4006 1 9 . 1 1 50 50 HIS N N 50 121.799 121.799 119.374 2.425 18916 4007 1 9 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.317 -0.402 18916 4008 1 9 . 1 1 50 50 HIS C C 50 172.849 172.849 173.694 -0.845 18916 4009 1 9 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.559 2.095 18916 4010 1 9 . 1 1 50 50 HIS CB C 50 34.649 34.649 32.794 1.855 18916 4011 1 9 . 1 1 50 50 HIS H H 50 7.596 7.596 8.080 -0.484 18916 4012 1 9 . 1 1 51 51 ILE N N 51 123.013 123.013 122.999 0.014 18916 4013 1 9 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.692 0.288 18916 4014 1 9 . 1 1 51 51 ILE C C 51 174.505 174.505 174.463 0.042 18916 4015 1 9 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.008 -1.042 18916 4016 1 9 . 1 1 51 51 ILE CB C 51 39.153 39.153 41.468 -2.315 18916 4017 1 9 . 1 1 51 51 ILE H H 51 8.996 8.996 8.269 0.727 18916 4018 1 9 . 1 1 52 52 VAL N N 52 127.413 127.413 124.903 2.510 18916 4019 1 9 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.858 0.444 18916 4020 1 9 . 1 1 52 52 VAL C C 52 174.084 174.084 174.539 -0.455 18916 4021 1 9 . 1 1 52 52 VAL CA C 52 59.207 59.207 60.339 -1.132 18916 4022 1 9 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.918 0.341 18916 4023 1 9 . 1 1 52 52 VAL H H 52 8.821 8.821 8.341 0.480 18916 4024 1 9 . 1 1 53 53 ALA N N 53 127.601 127.601 128.919 -1.318 18916 4025 1 9 . 1 1 53 53 ALA HA H 53 4.622 4.622 4.905 -0.283 18916 4026 1 9 . 1 1 53 53 ALA C C 53 174.680 174.680 176.303 -1.623 18916 4027 1 9 . 1 1 53 53 ALA CA C 53 50.910 50.910 51.218 -0.308 18916 4028 1 9 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.912 0.248 18916 4029 1 9 . 1 1 53 53 ALA H H 53 8.967 8.967 8.694 0.273 18916 4030 1 9 . 1 1 54 54 SER N N 54 113.005 113.005 117.213 -4.208 18916 4031 1 9 . 1 1 54 54 SER HA H 54 4.657 4.657 4.375 0.282 18916 4032 1 9 . 1 1 54 54 SER C C 54 174.229 174.229 174.445 -0.216 18916 4033 1 9 . 1 1 54 54 SER CA C 54 59.671 59.671 60.146 -0.475 18916 4034 1 9 . 1 1 54 54 SER CB C 54 64.852 64.852 63.596 1.256 18916 4035 1 9 . 1 1 54 54 SER H H 54 9.303 9.303 8.816 0.487 18916 4036 1 9 . 1 1 55 55 ASN N N 55 117.475 117.475 117.487 -0.012 18916 4037 1 9 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.856 -0.255 18916 4038 1 9 . 1 1 55 55 ASN C C 55 173.052 173.052 173.419 -0.367 18916 4039 1 9 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.792 0.333 18916 4040 1 9 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.367 0.243 18916 4041 1 9 . 1 1 55 55 ASN H H 55 7.917 7.917 8.192 -0.275 18916 4042 1 9 . 1 1 56 56 LEU N N 56 122.146 122.146 126.034 -3.888 18916 4043 1 9 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.889 -0.089 18916 4044 1 9 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.414 0.491 18916 4045 1 9 . 1 1 56 56 LEU CB C 56 44.592 44.592 43.358 1.234 18916 4046 1 9 . 1 1 56 56 LEU H H 56 8.792 8.792 8.555 0.237 18916 4047 1 9 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.686 -0.121 18916 4048 1 9 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.525 -0.335 18916 4049 1 9 . 1 1 57 57 PRO CB C 57 32.499 32.499 33.104 -0.605 18916 4050 1 9 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.964 -0.044 18916 4051 1 9 . 1 1 58 58 LEU C C 58 178.806 178.806 178.882 -0.076 18916 4052 1 9 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.952 0.221 18916 4053 1 9 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.533 0.056 18916 4054 1 9 . 1 1 59 59 LYS N N 59 115.039 115.039 116.988 -1.949 18916 4055 1 9 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.002 -0.030 18916 4056 1 9 . 1 1 59 59 LYS C C 59 179.053 179.053 178.864 0.189 18916 4057 1 9 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.779 0.745 18916 4058 1 9 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.315 1.096 18916 4059 1 9 . 1 1 59 59 LYS H H 59 8.763 8.763 8.534 0.229 18916 4060 1 9 . 1 1 60 60 LYS N N 60 116.433 116.433 119.176 -2.743 18916 4061 1 9 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.938 0.022 18916 4062 1 9 . 1 1 60 60 LYS C C 60 176.874 176.874 179.039 -2.165 18916 4063 1 9 . 1 1 60 60 LYS CA C 60 55.721 55.721 57.118 -1.397 18916 4064 1 9 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.881 0.052 18916 4065 1 9 . 1 1 60 60 LYS H H 60 7.158 7.158 7.575 -0.417 18916 4066 1 9 . 1 1 61 61 ARG N N 61 120.369 120.369 119.831 0.538 18916 4067 1 9 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.152 -0.328 18916 4068 1 9 . 1 1 61 61 ARG C C 61 179.213 179.213 178.264 0.949 18916 4069 1 9 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.411 0.403 18916 4070 1 9 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.041 -0.171 18916 4071 1 9 . 1 1 61 61 ARG H H 61 7.902 7.902 7.679 0.223 18916 4072 1 9 . 1 1 62 62 ILE N N 62 117.956 117.956 118.897 -0.941 18916 4073 1 9 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.760 0.048 18916 4074 1 9 . 1 1 62 62 ILE C C 62 178.966 178.966 178.869 0.097 18916 4075 1 9 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.764 -0.603 18916 4076 1 9 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.760 0.259 18916 4077 1 9 . 1 1 62 62 ILE H H 62 7.727 7.727 7.469 0.258 18916 4078 1 9 . 1 1 63 63 GLU N N 63 121.877 121.877 119.827 2.050 18916 4079 1 9 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.118 -0.168 18916 4080 1 9 . 1 1 63 63 GLU C C 63 178.792 178.792 178.083 0.709 18916 4081 1 9 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.413 0.889 18916 4082 1 9 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.482 0.340 18916 4083 1 9 . 1 1 63 63 GLU H H 63 7.713 7.713 7.847 -0.134 18916 4084 1 9 . 1 1 64 64 PHE N N 64 115.684 115.684 116.637 -0.953 18916 4085 1 9 . 1 1 64 64 PHE HA H 64 5.078 5.078 5.071 0.007 18916 4086 1 9 . 1 1 64 64 PHE C C 64 175.886 175.886 174.970 0.916 18916 4087 1 9 . 1 1 64 64 PHE CA C 64 53.859 53.859 54.998 -1.139 18916 4088 1 9 . 1 1 64 64 PHE CB C 64 37.431 37.431 37.735 -0.304 18916 4089 1 9 . 1 1 64 64 PHE H H 64 8.077 8.077 7.844 0.233 18916 4090 1 9 . 1 1 65 65 ALA N N 65 122.616 122.616 122.773 -0.157 18916 4091 1 9 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.123 0.041 18916 4092 1 9 . 1 1 65 65 ALA C C 65 178.356 178.356 178.424 -0.068 18916 4093 1 9 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.611 0.810 18916 4094 1 9 . 1 1 65 65 ALA CB C 65 19.243 19.243 19.257 -0.014 18916 4095 1 9 . 1 1 65 65 ALA H H 65 7.290 7.290 7.219 0.071 18916 4096 1 9 . 1 1 66 66 ASN N N 66 112.567 112.567 114.586 -2.019 18916 4097 1 9 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.440 0.165 18916 4098 1 9 . 1 1 66 66 ASN C C 66 174.374 174.374 175.161 -0.787 18916 4099 1 9 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.883 -1.528 18916 4100 1 9 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.417 -0.498 18916 4101 1 9 . 1 1 66 66 ASN H H 66 8.602 8.602 8.593 0.009 18916 4102 1 9 . 1 1 67 67 TYR N N 67 118.682 118.682 116.999 1.683 18916 4103 1 9 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.435 0.093 18916 4104 1 9 . 1 1 67 67 TYR C C 67 175.072 175.072 176.221 -1.149 18916 4105 1 9 . 1 1 67 67 TYR CA C 67 56.641 56.641 57.814 -1.173 18916 4106 1 9 . 1 1 67 67 TYR CB C 67 40.822 40.822 39.898 0.923 18916 4107 1 9 . 1 1 67 67 TYR H H 67 7.873 7.873 7.205 0.668 18916 4108 1 9 . 1 1 68 68 LYS N N 68 121.419 121.419 122.213 -0.794 18916 4109 1 9 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.617 -0.817 18916 4110 1 9 . 1 1 68 68 LYS C C 68 174.491 174.491 175.963 -1.472 18916 4111 1 9 . 1 1 68 68 LYS CA C 68 56.246 56.246 54.956 1.290 18916 4112 1 9 . 1 1 68 68 LYS CB C 68 32.664 32.664 31.055 1.609 18916 4113 1 9 . 1 1 68 68 LYS H H 68 7.771 7.771 8.600 -0.829 18916 4114 1 9 . 1 1 69 69 VAL N N 69 126.113 126.113 121.902 4.211 18916 4115 1 9 . 1 1 69 69 VAL HA H 69 5.182 5.182 5.085 0.097 18916 4116 1 9 . 1 1 69 69 VAL C C 69 176.365 176.365 175.654 0.711 18916 4117 1 9 . 1 1 69 69 VAL CA C 69 60.879 60.879 61.627 -0.748 18916 4118 1 9 . 1 1 69 69 VAL CB C 69 32.355 32.355 32.424 -0.069 18916 4119 1 9 . 1 1 69 69 VAL H H 69 8.384 8.384 8.237 0.147 18916 4120 1 9 . 1 1 70 70 VAL N N 70 120.358 120.358 119.192 1.166 18916 4121 1 9 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.052 0.325 18916 4122 1 9 . 1 1 70 70 VAL C C 70 174.040 174.040 174.999 -0.959 18916 4123 1 9 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.654 -0.805 18916 4124 1 9 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.632 1.121 18916 4125 1 9 . 1 1 70 70 VAL H H 70 9.390 9.390 9.034 0.356 18916 4126 1 9 . 1 1 71 71 SER N N 71 114.634 114.634 116.615 -1.981 18916 4127 1 9 . 1 1 71 71 SER HA H 71 5.630 5.630 5.609 0.021 18916 4128 1 9 . 1 1 71 71 SER CA C 71 60.584 60.584 55.775 4.809 18916 4129 1 9 . 1 1 71 71 SER CB C 71 60.367 60.367 62.743 -2.376 18916 4130 1 9 . 1 1 71 71 SER H H 71 8.354 8.354 8.106 0.248 18916 4131 1 9 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.303 -0.167 18916 4132 1 9 . 1 1 72 72 PRO C C 72 177.193 177.193 177.594 -0.401 18916 4133 1 9 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.359 -0.297 18916 4134 1 9 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.847 0.492 18916 4135 1 9 . 1 1 73 73 ASP N N 73 115.868 115.868 117.479 -1.611 18916 4136 1 9 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.293 -0.091 18916 4137 1 9 . 1 1 73 73 ASP C C 73 175.450 175.450 177.435 -1.985 18916 4138 1 9 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.310 -1.884 18916 4139 1 9 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.753 -0.398 18916 4140 1 9 . 1 1 73 73 ASP H H 73 8.427 8.427 8.594 -0.167 18916 4141 1 9 . 1 1 74 74 TRP N N 74 121.252 121.252 121.831 -0.579 18916 4142 1 9 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.367 -0.749 18916 4143 1 9 . 1 1 74 74 TRP C C 74 178.472 178.472 177.185 1.287 18916 4144 1 9 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.511 -0.496 18916 4145 1 9 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.219 -0.489 18916 4146 1 9 . 1 1 74 74 TRP H H 74 7.833 7.833 7.448 0.385 18916 4147 1 9 . 1 1 75 75 ILE N N 75 116.185 116.185 118.921 -2.736 18916 4148 1 9 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.362 -0.118 18916 4149 1 9 . 1 1 75 75 ILE C C 75 176.728 176.728 177.887 -1.159 18916 4150 1 9 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.493 -1.598 18916 4151 1 9 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.470 -0.249 18916 4152 1 9 . 1 1 75 75 ILE H H 75 6.969 6.969 7.393 -0.424 18916 4153 1 9 . 1 1 76 76 VAL N N 76 117.042 117.042 120.836 -3.794 18916 4154 1 9 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.473 -0.277 18916 4155 1 9 . 1 1 76 76 VAL C C 76 178.675 178.675 178.208 0.467 18916 4156 1 9 . 1 1 76 76 VAL CA C 76 66.945 66.945 66.644 0.301 18916 4157 1 9 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.555 1.090 18916 4158 1 9 . 1 1 76 76 VAL H H 76 7.056 7.056 7.867 -0.811 18916 4159 1 9 . 1 1 77 77 ASP N N 77 120.009 120.009 118.674 1.335 18916 4160 1 9 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.406 -0.102 18916 4161 1 9 . 1 1 77 77 ASP C C 77 178.515 178.515 178.424 0.091 18916 4162 1 9 . 1 1 77 77 ASP CA C 77 56.998 56.998 56.929 0.069 18916 4163 1 9 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.753 -1.903 18916 4164 1 9 . 1 1 77 77 ASP H H 77 9.171 9.171 7.916 1.255 18916 4165 1 9 . 1 1 78 78 SER N N 78 117.973 117.973 116.409 1.564 18916 4166 1 9 . 1 1 78 78 SER HA H 78 4.391 4.391 4.186 0.205 18916 4167 1 9 . 1 1 78 78 SER C C 78 175.290 175.290 176.115 -0.825 18916 4168 1 9 . 1 1 78 78 SER CA C 78 62.948 62.948 62.180 0.768 18916 4169 1 9 . 1 1 78 78 SER CB C 78 63.080 63.080 62.993 0.087 18916 4170 1 9 . 1 1 78 78 SER H H 78 7.056 7.056 7.900 -0.844 18916 4171 1 9 . 1 1 79 79 VAL N N 79 119.889 119.889 121.074 -1.185 18916 4172 1 9 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.576 -0.668 18916 4173 1 9 . 1 1 79 79 VAL C C 79 179.169 179.169 177.334 1.835 18916 4174 1 9 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.824 1.040 18916 4175 1 9 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.486 -0.656 18916 4176 1 9 . 1 1 79 79 VAL H H 79 7.596 7.596 7.507 0.089 18916 4177 1 9 . 1 1 80 80 LYS N N 80 121.062 121.062 119.429 1.633 18916 4178 1 9 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.060 -0.170 18916 4179 1 9 . 1 1 80 80 LYS C C 80 178.806 178.806 177.960 0.846 18916 4180 1 9 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.782 0.997 18916 4181 1 9 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.622 -0.291 18916 4182 1 9 . 1 1 80 80 LYS H H 80 7.946 7.946 7.721 0.225 18916 4183 1 9 . 1 1 81 81 GLU N N 81 115.870 115.870 115.916 -0.046 18916 4184 1 9 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.409 -0.281 18916 4185 1 9 . 1 1 81 81 GLU C C 81 174.912 174.912 175.924 -1.012 18916 4186 1 9 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.511 0.959 18916 4187 1 9 . 1 1 81 81 GLU CB C 81 29.613 29.613 30.039 -0.426 18916 4188 1 9 . 1 1 81 81 GLU H H 81 8.063 8.063 7.864 0.199 18916 4189 1 9 . 1 1 82 82 ALA N N 82 122.380 122.380 120.865 1.515 18916 4190 1 9 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.930 -0.222 18916 4191 1 9 . 1 1 82 82 ALA C C 82 175.711 175.711 175.808 -0.097 18916 4192 1 9 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.297 -0.837 18916 4193 1 9 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.217 -0.636 18916 4194 1 9 . 1 1 82 82 ALA H H 82 7.931 7.931 7.823 0.108 18916 4195 1 9 . 1 1 83 83 ARG N N 83 115.619 115.619 114.918 0.701 18916 4196 1 9 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.651 -0.461 18916 4197 1 9 . 1 1 83 83 ARG C C 83 172.050 172.050 173.477 -1.427 18916 4198 1 9 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.809 1.353 18916 4199 1 9 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.560 -0.205 18916 4200 1 9 . 1 1 83 83 ARG H H 83 8.165 8.165 7.813 0.352 18916 4201 1 9 . 1 1 84 84 LEU N N 84 120.648 120.648 122.777 -2.129 18916 4202 1 9 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.327 -0.611 18916 4203 1 9 . 1 1 84 84 LEU C C 84 176.917 176.917 175.483 1.434 18916 4204 1 9 . 1 1 84 84 LEU CA C 84 54.985 54.985 54.658 0.327 18916 4205 1 9 . 1 1 84 84 LEU CB C 84 41.311 41.311 42.148 -0.837 18916 4206 1 9 . 1 1 84 84 LEU H H 84 8.325 8.325 8.353 -0.028 18916 4207 1 9 . 1 1 85 85 LEU N N 85 132.955 132.955 128.682 4.273 18916 4208 1 9 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.989 -0.392 18916 4209 1 9 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.209 2.439 18916 4210 1 9 . 1 1 85 85 LEU CB C 85 40.363 40.363 44.258 -3.895 18916 4211 1 9 . 1 1 85 85 LEU H H 85 7.946 7.946 8.286 -0.340 18916 4212 1 9 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.109 0.476 18916 4213 1 9 . 1 1 86 86 PRO C C 86 178.835 178.835 177.534 1.301 18916 4214 1 9 . 1 1 86 86 PRO CA C 86 63.775 63.775 62.850 0.925 18916 4215 1 9 . 1 1 86 86 PRO CB C 86 31.549 31.549 30.808 0.741 18916 4216 1 9 . 1 1 87 87 TRP N N 87 128.323 128.323 126.502 1.821 18916 4217 1 9 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.696 -0.061 18916 4218 1 9 . 1 1 87 87 TRP C C 87 177.963 177.963 177.437 0.526 18916 4219 1 9 . 1 1 87 87 TRP CA C 87 59.553 59.553 58.995 0.558 18916 4220 1 9 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.355 -0.394 18916 4221 1 9 . 1 1 87 87 TRP H H 87 8.369 8.369 7.942 0.427 18916 4222 1 9 . 1 1 88 88 GLN N N 88 120.928 120.928 118.880 2.048 18916 4223 1 9 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.974 -1.069 18916 4224 1 9 . 1 1 88 88 GLN C C 88 178.196 178.196 176.730 1.466 18916 4225 1 9 . 1 1 88 88 GLN CA C 88 59.922 59.922 58.002 1.920 18916 4226 1 9 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.852 -1.392 18916 4227 1 9 . 1 1 88 88 GLN H H 88 8.354 8.354 8.053 0.301 18916 4228 1 9 . 1 1 89 89 ASN N N 89 116.452 116.452 117.573 -1.121 18916 4229 1 9 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.499 -0.200 18916 4230 1 9 . 1 1 89 89 ASN C C 89 174.752 174.752 176.048 -1.296 18916 4231 1 9 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.698 -0.567 18916 4232 1 9 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.611 -1.250 18916 4233 1 9 . 1 1 89 89 ASN H H 89 7.304 7.304 7.720 -0.416 18916 4234 1 9 . 1 1 90 90 TYR N N 90 118.336 118.336 116.271 2.065 18916 4235 1 9 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.588 0.026 18916 4236 1 9 . 1 1 90 90 TYR C C 90 174.534 174.534 175.343 -0.809 18916 4237 1 9 . 1 1 90 90 TYR CA C 90 57.534 57.534 57.320 0.214 18916 4238 1 9 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.903 1.250 18916 4239 1 9 . 1 1 90 90 TYR H H 90 8.048 8.048 7.625 0.423 18916 4240 1 9 . 1 1 91 91 SER N N 91 114.053 114.053 115.671 -1.618 18916 4241 1 9 . 1 1 91 91 SER HA H 91 5.015 5.015 4.675 0.340 18916 4242 1 9 . 1 1 91 91 SER C C 91 176.205 176.205 175.096 1.109 18916 4243 1 9 . 1 1 91 91 SER CA C 91 58.037 58.037 58.962 -0.925 18916 4244 1 9 . 1 1 91 91 SER CB C 91 64.342 64.342 63.439 0.903 18916 4245 1 9 . 1 1 91 91 SER H H 91 7.012 7.012 7.557 -0.545 18916 4246 1 9 . 1 1 92 92 LEU N N 92 126.106 126.106 128.120 -2.014 18916 4247 1 9 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.641 -0.036 18916 4248 1 9 . 1 1 92 92 LEU C C 92 177.687 177.687 177.360 0.327 18916 4249 1 9 . 1 1 92 92 LEU CA C 92 55.405 55.405 53.818 1.587 18916 4250 1 9 . 1 1 92 92 LEU CB C 92 42.887 42.887 42.007 0.880 18916 4251 1 9 . 1 1 92 92 LEU H H 92 8.777 8.777 8.490 0.287 18916 4252 1 9 . 1 1 93 93 THR N N 93 112.458 112.458 112.496 -0.038 18916 4253 1 9 . 1 1 93 93 THR HA H 93 4.489 4.489 4.203 0.286 18916 4254 1 9 . 1 1 93 93 THR C C 93 173.851 173.851 175.295 -1.444 18916 4255 1 9 . 1 1 93 93 THR CA C 93 61.318 61.318 64.115 -2.796 18916 4256 1 9 . 1 1 93 93 THR CB C 93 69.853 69.853 69.272 0.580 18916 4257 1 9 . 1 1 93 93 THR H H 93 8.252 8.252 7.539 0.713 18916 4258 1 10 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.578 -0.796 18916 4259 1 10 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.798 1.080 18916 4260 1 10 . 1 1 4 4 GLN CB C 4 29.441 29.441 29.260 0.181 18916 4261 1 10 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.611 -0.057 18916 4262 1 10 . 1 1 7 7 LYS C C 7 178.298 178.298 177.202 1.096 18916 4263 1 10 . 1 1 7 7 LYS CA C 7 54.750 54.750 56.218 -1.468 18916 4264 1 10 . 1 1 7 7 LYS CB C 7 32.593 32.593 30.744 1.849 18916 4265 1 10 . 1 1 8 8 ILE N N 8 119.676 119.676 121.746 -2.070 18916 4266 1 10 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.472 0.112 18916 4267 1 10 . 1 1 8 8 ILE C C 8 177.164 177.164 176.357 0.807 18916 4268 1 10 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.087 1.825 18916 4269 1 10 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.536 1.438 18916 4270 1 10 . 1 1 8 8 ILE H H 8 7.633 7.633 7.798 -0.165 18916 4271 1 10 . 1 1 9 9 PHE N N 9 113.639 113.639 112.211 1.428 18916 4272 1 10 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.653 0.259 18916 4273 1 10 . 1 1 9 9 PHE C C 9 174.520 174.520 176.483 -1.963 18916 4274 1 10 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.363 0.676 18916 4275 1 10 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.333 -0.619 18916 4276 1 10 . 1 1 9 9 PHE H H 9 8.403 8.403 7.556 0.847 18916 4277 1 10 . 1 1 10 10 LYS N N 10 120.104 120.104 122.676 -2.572 18916 4278 1 10 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.254 -0.111 18916 4279 1 10 . 1 1 10 10 LYS C C 10 177.600 177.600 177.677 -0.077 18916 4280 1 10 . 1 1 10 10 LYS CA C 10 58.508 58.508 59.079 -0.571 18916 4281 1 10 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.191 0.249 18916 4282 1 10 . 1 1 10 10 LYS H H 10 7.328 7.328 7.689 -0.361 18916 4283 1 10 . 1 1 11 11 ASN N N 11 116.960 116.960 113.854 3.106 18916 4284 1 10 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.722 -0.177 18916 4285 1 10 . 1 1 11 11 ASN C C 11 175.566 175.566 175.533 0.033 18916 4286 1 10 . 1 1 11 11 ASN CA C 11 55.479 55.479 54.014 1.464 18916 4287 1 10 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.537 -1.009 18916 4288 1 10 . 1 1 11 11 ASN H H 11 8.984 8.984 8.665 0.319 18916 4289 1 10 . 1 1 12 12 CYS N N 12 118.344 118.344 118.951 -0.607 18916 4290 1 10 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.768 0.358 18916 4291 1 10 . 1 1 12 12 CYS C C 12 175.014 175.014 173.860 1.154 18916 4292 1 10 . 1 1 12 12 CYS CA C 12 59.549 59.549 58.612 0.937 18916 4293 1 10 . 1 1 12 12 CYS CB C 12 29.319 29.319 28.634 0.685 18916 4294 1 10 . 1 1 12 12 CYS H H 12 8.460 8.460 7.593 0.867 18916 4295 1 10 . 1 1 13 13 VAL N N 13 128.765 128.765 124.550 4.215 18916 4296 1 10 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.655 -0.266 18916 4297 1 10 . 1 1 13 13 VAL C C 13 174.912 174.912 174.523 0.389 18916 4298 1 10 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.817 0.477 18916 4299 1 10 . 1 1 13 13 VAL CB C 13 33.468 33.468 33.118 0.349 18916 4300 1 10 . 1 1 13 13 VAL H H 13 9.878 9.878 8.944 0.934 18916 4301 1 10 . 1 1 14 14 ILE N N 14 128.270 128.270 127.044 1.226 18916 4302 1 10 . 1 1 14 14 ILE HA H 14 5.200 5.200 4.992 0.208 18916 4303 1 10 . 1 1 14 14 ILE C C 14 174.098 174.098 174.571 -0.473 18916 4304 1 10 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.627 0.677 18916 4305 1 10 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.924 0.620 18916 4306 1 10 . 1 1 14 14 ILE H H 14 8.841 8.841 8.614 0.227 18916 4307 1 10 . 1 1 15 15 TYR N N 15 125.475 125.475 127.532 -2.057 18916 4308 1 10 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.008 0.101 18916 4309 1 10 . 1 1 15 15 TYR C C 15 173.023 173.023 173.677 -0.654 18916 4310 1 10 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.645 0.241 18916 4311 1 10 . 1 1 15 15 TYR CB C 15 42.813 42.813 42.341 0.472 18916 4312 1 10 . 1 1 15 15 TYR H H 15 8.023 8.023 9.046 -1.023 18916 4313 1 10 . 1 1 16 16 ILE N N 16 128.262 128.262 125.460 2.802 18916 4314 1 10 . 1 1 16 16 ILE HA H 16 4.367 4.367 3.922 0.445 18916 4315 1 10 . 1 1 16 16 ILE C C 16 173.895 173.895 173.618 0.277 18916 4316 1 10 . 1 1 16 16 ILE CA C 16 59.688 59.688 60.022 -0.334 18916 4317 1 10 . 1 1 16 16 ILE CB C 16 36.912 36.912 38.361 -1.449 18916 4318 1 10 . 1 1 16 16 ILE H H 16 8.708 8.708 8.214 0.494 18916 4319 1 10 . 1 1 17 17 ASN N N 17 126.842 126.842 125.801 1.041 18916 4320 1 10 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.585 0.076 18916 4321 1 10 . 1 1 17 17 ASN C C 17 174.171 174.171 174.734 -0.563 18916 4322 1 10 . 1 1 17 17 ASN CA C 17 52.887 52.887 52.020 0.867 18916 4323 1 10 . 1 1 17 17 ASN CB C 17 42.944 42.944 40.552 2.392 18916 4324 1 10 . 1 1 17 17 ASN H H 17 8.974 8.974 8.315 0.659 18916 4325 1 10 . 1 1 18 18 GLY N N 18 113.508 113.508 112.394 1.114 18916 4326 1 10 . 1 1 18 18 GLY C C 18 172.529 172.529 173.325 -0.796 18916 4327 1 10 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.439 0.746 18916 4328 1 10 . 1 1 18 18 GLY H H 18 8.727 8.727 8.083 0.644 18916 4329 1 10 . 1 1 19 19 TYR N N 19 121.021 121.021 121.372 -0.351 18916 4330 1 10 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.539 -0.089 18916 4331 1 10 . 1 1 19 19 TYR C C 19 176.147 176.147 175.734 0.413 18916 4332 1 10 . 1 1 19 19 TYR CA C 19 58.982 58.982 57.886 1.095 18916 4333 1 10 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.626 0.075 18916 4334 1 10 . 1 1 19 19 TYR H H 19 8.651 8.651 8.273 0.378 18916 4335 1 10 . 1 1 20 20 THR N N 20 117.677 117.677 115.813 1.864 18916 4336 1 10 . 1 1 20 20 THR HA H 20 4.279 4.279 4.788 -0.509 18916 4337 1 10 . 1 1 20 20 THR C C 20 171.803 171.803 174.060 -2.257 18916 4338 1 10 . 1 1 20 20 THR CA C 20 59.986 59.986 59.991 -0.005 18916 4339 1 10 . 1 1 20 20 THR CB C 20 73.362 73.362 71.376 1.986 18916 4340 1 10 . 1 1 20 20 THR H H 20 7.242 7.242 8.229 -0.987 18916 4341 1 10 . 1 1 21 21 LYS N N 21 120.592 120.592 122.802 -2.210 18916 4342 1 10 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.829 -0.782 18916 4343 1 10 . 1 1 21 21 LYS CA C 21 54.030 54.030 53.448 0.582 18916 4344 1 10 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.460 2.366 18916 4345 1 10 . 1 1 21 21 LYS H H 21 7.718 7.718 8.382 -0.664 18916 4346 1 10 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.501 0.089 18916 4347 1 10 . 1 1 22 22 PRO C C 22 175.043 175.043 176.723 -1.680 18916 4348 1 10 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.249 0.699 18916 4349 1 10 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.837 1.703 18916 4350 1 10 . 1 1 23 23 GLY N N 23 105.352 105.352 106.662 -1.310 18916 4351 1 10 . 1 1 23 23 GLY C C 23 172.762 172.762 175.766 -3.004 18916 4352 1 10 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.172 0.708 18916 4353 1 10 . 1 1 23 23 GLY H H 23 8.356 8.356 8.572 -0.216 18916 4354 1 10 . 1 1 24 24 ARG N N 24 119.274 119.274 121.039 -1.765 18916 4355 1 10 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.662 -0.387 18916 4356 1 10 . 1 1 24 24 ARG C C 24 176.263 176.263 178.280 -2.017 18916 4357 1 10 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.996 0.923 18916 4358 1 10 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.568 0.763 18916 4359 1 10 . 1 1 24 24 ARG H H 24 7.813 7.813 8.671 -0.858 18916 4360 1 10 . 1 1 25 25 LEU N N 25 116.403 116.403 115.630 0.773 18916 4361 1 10 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.271 -0.581 18916 4362 1 10 . 1 1 25 25 LEU C C 25 179.562 179.562 178.813 0.749 18916 4363 1 10 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.445 0.946 18916 4364 1 10 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.786 0.058 18916 4365 1 10 . 1 1 25 25 LEU H H 25 8.156 8.156 8.028 0.128 18916 4366 1 10 . 1 1 26 26 GLN N N 26 118.294 118.294 118.898 -0.604 18916 4367 1 10 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.090 -0.124 18916 4368 1 10 . 1 1 26 26 GLN C C 26 179.358 179.358 178.450 0.908 18916 4369 1 10 . 1 1 26 26 GLN CA C 26 59.322 59.322 58.041 1.281 18916 4370 1 10 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.459 -0.402 18916 4371 1 10 . 1 1 26 26 GLN H H 26 7.423 7.423 7.474 -0.051 18916 4372 1 10 . 1 1 27 27 LEU N N 27 119.419 119.419 120.144 -0.725 18916 4373 1 10 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.706 0.222 18916 4374 1 10 . 1 1 27 27 LEU C C 27 178.777 178.777 178.954 -0.177 18916 4375 1 10 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.504 -0.480 18916 4376 1 10 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.599 0.291 18916 4377 1 10 . 1 1 27 27 LEU H H 27 8.127 8.127 7.968 0.159 18916 4378 1 10 . 1 1 28 28 HIS N N 28 118.332 118.332 117.187 1.145 18916 4379 1 10 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.895 -0.153 18916 4380 1 10 . 1 1 28 28 HIS C C 28 177.121 177.121 177.682 -0.561 18916 4381 1 10 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.860 -2.062 18916 4382 1 10 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.498 -0.057 18916 4383 1 10 . 1 1 28 28 HIS H H 28 8.727 8.727 7.964 0.763 18916 4384 1 10 . 1 1 29 29 GLU N N 29 116.699 116.699 119.337 -2.638 18916 4385 1 10 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.900 0.078 18916 4386 1 10 . 1 1 29 29 GLU C C 29 178.951 178.951 179.062 -0.111 18916 4387 1 10 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.035 0.241 18916 4388 1 10 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.528 0.156 18916 4389 1 10 . 1 1 29 29 GLU H H 29 7.518 7.518 7.666 -0.148 18916 4390 1 10 . 1 1 30 30 MET N N 30 118.090 118.090 118.525 -0.435 18916 4391 1 10 . 1 1 30 30 MET HA H 30 4.055 4.055 4.201 -0.146 18916 4392 1 10 . 1 1 30 30 MET C C 30 177.992 177.992 179.027 -1.035 18916 4393 1 10 . 1 1 30 30 MET CA C 30 60.040 60.040 57.680 2.360 18916 4394 1 10 . 1 1 30 30 MET CB C 30 34.522 34.522 31.833 2.689 18916 4395 1 10 . 1 1 30 30 MET H H 30 7.766 7.766 7.979 -0.213 18916 4396 1 10 . 1 1 31 31 ILE N N 31 118.458 118.458 120.275 -1.817 18916 4397 1 10 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.607 -0.355 18916 4398 1 10 . 1 1 31 31 ILE C C 31 178.007 178.007 178.482 -0.475 18916 4399 1 10 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.587 -0.696 18916 4400 1 10 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.427 0.755 18916 4401 1 10 . 1 1 31 31 ILE H H 31 8.337 8.337 8.169 0.168 18916 4402 1 10 . 1 1 32 32 VAL N N 32 117.878 117.878 120.434 -2.556 18916 4403 1 10 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.136 -0.133 18916 4404 1 10 . 1 1 32 32 VAL C C 32 180.884 180.884 179.054 1.830 18916 4405 1 10 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.621 -0.245 18916 4406 1 10 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.079 0.918 18916 4407 1 10 . 1 1 32 32 VAL H H 32 7.888 7.888 7.896 -0.008 18916 4408 1 10 . 1 1 33 33 LEU N N 33 123.609 123.609 116.597 7.012 18916 4409 1 10 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.039 0.034 18916 4410 1 10 . 1 1 33 33 LEU C C 33 177.498 177.498 176.576 0.922 18916 4411 1 10 . 1 1 33 33 LEU CA C 33 57.662 57.662 56.138 1.524 18916 4412 1 10 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.208 2.082 18916 4413 1 10 . 1 1 33 33 LEU H H 33 8.281 8.281 7.750 0.531 18916 4414 1 10 . 1 1 34 34 HIS N N 34 113.272 113.272 115.035 -1.763 18916 4415 1 10 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.910 -0.195 18916 4416 1 10 . 1 1 34 34 HIS C C 34 175.464 175.464 175.831 -0.367 18916 4417 1 10 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.159 1.237 18916 4418 1 10 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.926 -0.158 18916 4419 1 10 . 1 1 34 34 HIS H H 34 7.319 7.319 7.335 -0.016 18916 4420 1 10 . 1 1 35 35 GLY N N 35 104.307 104.307 106.968 -2.661 18916 4421 1 10 . 1 1 35 35 GLY C C 35 174.985 174.985 174.969 0.016 18916 4422 1 10 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.519 1.795 18916 4423 1 10 . 1 1 35 35 GLY H H 35 7.392 7.392 8.073 -0.681 18916 4424 1 10 . 1 1 36 36 GLY N N 36 108.630 108.630 108.361 0.269 18916 4425 1 10 . 1 1 36 36 GLY C C 36 171.701 171.701 173.344 -1.643 18916 4426 1 10 . 1 1 36 36 GLY CA C 36 44.392 44.392 44.091 0.301 18916 4427 1 10 . 1 1 36 36 GLY H H 36 8.763 8.763 8.164 0.599 18916 4428 1 10 . 1 1 37 37 LYS N N 37 115.119 115.119 120.876 -5.757 18916 4429 1 10 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.967 -0.353 18916 4430 1 10 . 1 1 37 37 LYS C C 37 174.302 174.302 175.592 -1.290 18916 4431 1 10 . 1 1 37 37 LYS CA C 37 54.319 54.319 55.081 -0.762 18916 4432 1 10 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.090 1.160 18916 4433 1 10 . 1 1 37 37 LYS H H 37 7.406 7.406 8.155 -0.749 18916 4434 1 10 . 1 1 38 38 PHE N N 38 117.196 117.196 117.228 -0.032 18916 4435 1 10 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.857 0.031 18916 4436 1 10 . 1 1 38 38 PHE C C 38 173.604 173.604 173.807 -0.203 18916 4437 1 10 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.873 -1.022 18916 4438 1 10 . 1 1 38 38 PHE CB C 38 43.379 43.379 42.128 1.251 18916 4439 1 10 . 1 1 38 38 PHE H H 38 7.844 7.844 8.097 -0.253 18916 4440 1 10 . 1 1 39 39 LEU N N 39 119.576 119.576 121.323 -1.747 18916 4441 1 10 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.826 -0.222 18916 4442 1 10 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.570 -0.909 18916 4443 1 10 . 1 1 39 39 LEU CB C 39 45.901 45.901 45.345 0.556 18916 4444 1 10 . 1 1 39 39 LEU H H 39 8.223 8.223 8.512 -0.289 18916 4445 1 10 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.439 0.200 18916 4446 1 10 . 1 1 40 40 HIS C C 40 174.694 174.694 174.506 0.188 18916 4447 1 10 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.886 0.784 18916 4448 1 10 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.417 1.473 18916 4449 1 10 . 1 1 41 41 TYR N N 41 115.005 115.005 116.846 -1.841 18916 4450 1 10 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.331 0.329 18916 4451 1 10 . 1 1 41 41 TYR C C 41 173.023 173.023 172.718 0.305 18916 4452 1 10 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.556 -1.657 18916 4453 1 10 . 1 1 41 41 TYR CB C 41 40.313 40.313 39.757 0.556 18916 4454 1 10 . 1 1 41 41 TYR H H 41 7.363 7.363 7.106 0.257 18916 4455 1 10 . 1 1 42 42 LEU N N 42 121.687 121.687 124.552 -2.865 18916 4456 1 10 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.436 -0.548 18916 4457 1 10 . 1 1 42 42 LEU CA C 42 54.041 54.041 53.256 0.785 18916 4458 1 10 . 1 1 42 42 LEU CB C 42 41.096 41.096 44.271 -3.175 18916 4459 1 10 . 1 1 42 42 LEU H H 42 8.252 8.252 6.955 1.297 18916 4460 1 10 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.888 -0.654 18916 4461 1 10 . 1 1 46 46 LYS CA C 46 56.885 56.885 56.538 0.347 18916 4462 1 10 . 1 1 46 46 LYS CB C 46 32.542 32.542 31.953 0.589 18916 4463 1 10 . 1 1 47 47 THR HA H 47 4.168 4.168 4.209 -0.041 18916 4464 1 10 . 1 1 47 47 THR C C 47 174.186 174.186 174.458 -0.272 18916 4465 1 10 . 1 1 47 47 THR CA C 47 62.706 62.706 63.347 -0.641 18916 4466 1 10 . 1 1 47 47 THR CB C 47 69.762 69.762 69.247 0.515 18916 4467 1 10 . 1 1 48 48 VAL N N 48 123.218 123.218 120.289 2.929 18916 4468 1 10 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.170 -0.327 18916 4469 1 10 . 1 1 48 48 VAL C C 48 174.985 174.985 175.573 -0.588 18916 4470 1 10 . 1 1 48 48 VAL CA C 48 62.146 62.146 60.866 1.280 18916 4471 1 10 . 1 1 48 48 VAL CB C 48 33.167 33.167 34.090 -0.923 18916 4472 1 10 . 1 1 48 48 VAL H H 48 7.771 7.771 7.505 0.266 18916 4473 1 10 . 1 1 49 49 THR N N 49 116.982 116.982 116.655 0.327 18916 4474 1 10 . 1 1 49 49 THR HA H 49 4.319 4.319 4.541 -0.222 18916 4475 1 10 . 1 1 49 49 THR C C 49 176.118 176.118 174.327 1.791 18916 4476 1 10 . 1 1 49 49 THR CA C 49 62.831 62.831 62.079 0.752 18916 4477 1 10 . 1 1 49 49 THR CB C 49 69.114 69.114 70.252 -1.138 18916 4478 1 10 . 1 1 49 49 THR H H 49 9.798 9.798 8.497 1.301 18916 4479 1 10 . 1 1 50 50 HIS N N 50 121.799 121.799 120.264 1.535 18916 4480 1 10 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.256 -0.340 18916 4481 1 10 . 1 1 50 50 HIS C C 50 172.849 172.849 173.161 -0.312 18916 4482 1 10 . 1 1 50 50 HIS CA C 50 56.654 56.654 55.508 1.146 18916 4483 1 10 . 1 1 50 50 HIS CB C 50 34.649 34.649 33.321 1.328 18916 4484 1 10 . 1 1 50 50 HIS H H 50 7.596 7.596 8.280 -0.684 18916 4485 1 10 . 1 1 51 51 ILE N N 51 123.013 123.013 122.634 0.379 18916 4486 1 10 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.732 0.248 18916 4487 1 10 . 1 1 51 51 ILE C C 51 174.505 174.505 174.468 0.037 18916 4488 1 10 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.085 -1.118 18916 4489 1 10 . 1 1 51 51 ILE CB C 51 39.153 39.153 41.638 -2.485 18916 4490 1 10 . 1 1 51 51 ILE H H 51 8.996 8.996 8.180 0.816 18916 4491 1 10 . 1 1 52 52 VAL N N 52 127.413 127.413 125.823 1.590 18916 4492 1 10 . 1 1 52 52 VAL HA H 52 5.302 5.302 5.273 0.029 18916 4493 1 10 . 1 1 52 52 VAL C C 52 174.084 174.084 174.443 -0.359 18916 4494 1 10 . 1 1 52 52 VAL CA C 52 59.207 59.207 60.272 -1.065 18916 4495 1 10 . 1 1 52 52 VAL CB C 52 33.259 33.259 33.796 -0.537 18916 4496 1 10 . 1 1 52 52 VAL H H 52 8.821 8.821 8.489 0.332 18916 4497 1 10 . 1 1 53 53 ALA N N 53 127.601 127.601 128.676 -1.075 18916 4498 1 10 . 1 1 53 53 ALA HA H 53 4.622 4.622 4.986 -0.364 18916 4499 1 10 . 1 1 53 53 ALA C C 53 174.680 174.680 176.761 -2.081 18916 4500 1 10 . 1 1 53 53 ALA CA C 53 50.910 50.910 51.250 -0.340 18916 4501 1 10 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.438 0.722 18916 4502 1 10 . 1 1 53 53 ALA H H 53 8.967 8.967 8.413 0.554 18916 4503 1 10 . 1 1 54 54 SER N N 54 113.005 113.005 117.337 -4.332 18916 4504 1 10 . 1 1 54 54 SER HA H 54 4.657 4.657 4.437 0.220 18916 4505 1 10 . 1 1 54 54 SER C C 54 174.229 174.229 174.733 -0.504 18916 4506 1 10 . 1 1 54 54 SER CA C 54 59.671 59.671 60.801 -1.130 18916 4507 1 10 . 1 1 54 54 SER CB C 54 64.852 64.852 63.842 1.010 18916 4508 1 10 . 1 1 54 54 SER H H 54 9.303 9.303 8.833 0.470 18916 4509 1 10 . 1 1 55 55 ASN N N 55 117.475 117.475 118.756 -1.281 18916 4510 1 10 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.956 -0.355 18916 4511 1 10 . 1 1 55 55 ASN C C 55 173.052 173.052 173.573 -0.521 18916 4512 1 10 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.866 0.259 18916 4513 1 10 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.263 0.347 18916 4514 1 10 . 1 1 55 55 ASN H H 55 7.917 7.917 8.376 -0.459 18916 4515 1 10 . 1 1 56 56 LEU N N 56 122.146 122.146 126.372 -4.226 18916 4516 1 10 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.824 -0.024 18916 4517 1 10 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.232 0.673 18916 4518 1 10 . 1 1 56 56 LEU CB C 56 44.592 44.592 44.043 0.549 18916 4519 1 10 . 1 1 56 56 LEU H H 56 8.792 8.792 8.457 0.335 18916 4520 1 10 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.562 0.003 18916 4521 1 10 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.834 -0.644 18916 4522 1 10 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.399 0.100 18916 4523 1 10 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.919 0.001 18916 4524 1 10 . 1 1 58 58 LEU C C 58 178.806 178.806 178.655 0.151 18916 4525 1 10 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.767 0.405 18916 4526 1 10 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.521 0.068 18916 4527 1 10 . 1 1 59 59 LYS N N 59 115.039 115.039 119.337 -4.298 18916 4528 1 10 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.047 -0.075 18916 4529 1 10 . 1 1 59 59 LYS C C 59 179.053 179.053 178.709 0.344 18916 4530 1 10 . 1 1 59 59 LYS CA C 59 59.524 59.524 59.001 0.523 18916 4531 1 10 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.290 1.121 18916 4532 1 10 . 1 1 59 59 LYS H H 59 8.763 8.763 8.416 0.347 18916 4533 1 10 . 1 1 60 60 LYS N N 60 116.433 116.433 118.509 -2.076 18916 4534 1 10 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.991 -0.031 18916 4535 1 10 . 1 1 60 60 LYS C C 60 176.874 176.874 179.480 -2.606 18916 4536 1 10 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.680 -2.959 18916 4537 1 10 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.744 0.189 18916 4538 1 10 . 1 1 60 60 LYS H H 60 7.158 7.158 8.251 -1.093 18916 4539 1 10 . 1 1 61 61 ARG N N 61 120.369 120.369 119.051 1.318 18916 4540 1 10 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.144 -0.320 18916 4541 1 10 . 1 1 61 61 ARG C C 61 179.213 179.213 178.084 1.129 18916 4542 1 10 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.075 0.739 18916 4543 1 10 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.212 -0.342 18916 4544 1 10 . 1 1 61 61 ARG H H 61 7.902 7.902 7.746 0.156 18916 4545 1 10 . 1 1 62 62 ILE N N 62 117.956 117.956 117.726 0.230 18916 4546 1 10 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.844 -0.036 18916 4547 1 10 . 1 1 62 62 ILE C C 62 178.966 178.966 178.236 0.730 18916 4548 1 10 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.156 0.006 18916 4549 1 10 . 1 1 62 62 ILE CB C 62 38.019 38.019 38.293 -0.274 18916 4550 1 10 . 1 1 62 62 ILE H H 62 7.727 7.727 7.447 0.280 18916 4551 1 10 . 1 1 63 63 GLU N N 63 121.877 121.877 120.717 1.160 18916 4552 1 10 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.110 -0.160 18916 4553 1 10 . 1 1 63 63 GLU C C 63 178.792 178.792 178.500 0.292 18916 4554 1 10 . 1 1 63 63 GLU CA C 63 59.302 59.302 59.179 0.123 18916 4555 1 10 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.608 0.214 18916 4556 1 10 . 1 1 63 63 GLU H H 63 7.713 7.713 7.988 -0.275 18916 4557 1 10 . 1 1 64 64 PHE N N 64 115.684 115.684 115.790 -0.106 18916 4558 1 10 . 1 1 64 64 PHE HA H 64 5.078 5.078 5.098 -0.020 18916 4559 1 10 . 1 1 64 64 PHE C C 64 175.886 175.886 175.885 0.001 18916 4560 1 10 . 1 1 64 64 PHE CA C 64 53.859 53.859 54.998 -1.139 18916 4561 1 10 . 1 1 64 64 PHE CB C 64 37.431 37.431 38.146 -0.715 18916 4562 1 10 . 1 1 64 64 PHE H H 64 8.077 8.077 8.001 0.076 18916 4563 1 10 . 1 1 65 65 ALA N N 65 122.616 122.616 123.760 -1.144 18916 4564 1 10 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.186 -0.022 18916 4565 1 10 . 1 1 65 65 ALA C C 65 178.356 178.356 177.964 0.392 18916 4566 1 10 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.411 1.010 18916 4567 1 10 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.784 0.459 18916 4568 1 10 . 1 1 65 65 ALA H H 65 7.290 7.290 7.346 -0.056 18916 4569 1 10 . 1 1 66 66 ASN N N 66 112.567 112.567 114.565 -1.998 18916 4570 1 10 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.383 0.222 18916 4571 1 10 . 1 1 66 66 ASN C C 66 174.374 174.374 175.368 -0.994 18916 4572 1 10 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.435 -1.081 18916 4573 1 10 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.495 -0.576 18916 4574 1 10 . 1 1 66 66 ASN H H 66 8.602 8.602 8.461 0.141 18916 4575 1 10 . 1 1 67 67 TYR N N 67 118.682 118.682 117.549 1.133 18916 4576 1 10 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.480 0.048 18916 4577 1 10 . 1 1 67 67 TYR C C 67 175.072 175.072 175.310 -0.238 18916 4578 1 10 . 1 1 67 67 TYR CA C 67 56.641 56.641 56.648 -0.007 18916 4579 1 10 . 1 1 67 67 TYR CB C 67 40.822 40.822 40.419 0.403 18916 4580 1 10 . 1 1 67 67 TYR H H 67 7.873 7.873 7.387 0.486 18916 4581 1 10 . 1 1 68 68 LYS N N 68 121.419 121.419 122.354 -0.935 18916 4582 1 10 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.409 -0.609 18916 4583 1 10 . 1 1 68 68 LYS C C 68 174.491 174.491 175.529 -1.038 18916 4584 1 10 . 1 1 68 68 LYS CA C 68 56.246 56.246 55.027 1.219 18916 4585 1 10 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.753 1.911 18916 4586 1 10 . 1 1 68 68 LYS H H 68 7.771 7.771 8.245 -0.474 18916 4587 1 10 . 1 1 69 69 VAL N N 69 126.113 126.113 122.410 3.703 18916 4588 1 10 . 1 1 69 69 VAL HA H 69 5.182 5.182 5.013 0.169 18916 4589 1 10 . 1 1 69 69 VAL C C 69 176.365 176.365 175.856 0.509 18916 4590 1 10 . 1 1 69 69 VAL CA C 69 60.879 60.879 61.149 -0.270 18916 4591 1 10 . 1 1 69 69 VAL CB C 69 32.355 32.355 32.261 0.094 18916 4592 1 10 . 1 1 69 69 VAL H H 69 8.384 8.384 8.029 0.355 18916 4593 1 10 . 1 1 70 70 VAL N N 70 120.358 120.358 120.631 -0.273 18916 4594 1 10 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.136 0.241 18916 4595 1 10 . 1 1 70 70 VAL C C 70 174.040 174.040 175.366 -1.326 18916 4596 1 10 . 1 1 70 70 VAL CA C 70 57.849 57.849 59.413 -1.564 18916 4597 1 10 . 1 1 70 70 VAL CB C 70 36.753 36.753 36.210 0.543 18916 4598 1 10 . 1 1 70 70 VAL H H 70 9.390 9.390 8.909 0.481 18916 4599 1 10 . 1 1 71 71 SER N N 71 114.634 114.634 116.527 -1.893 18916 4600 1 10 . 1 1 71 71 SER HA H 71 5.630 5.630 5.410 0.220 18916 4601 1 10 . 1 1 71 71 SER CA C 71 60.584 60.584 56.594 3.990 18916 4602 1 10 . 1 1 71 71 SER CB C 71 60.367 60.367 62.525 -2.158 18916 4603 1 10 . 1 1 71 71 SER H H 71 8.354 8.354 8.373 -0.019 18916 4604 1 10 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.331 -0.195 18916 4605 1 10 . 1 1 72 72 PRO C C 72 177.193 177.193 177.740 -0.547 18916 4606 1 10 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.437 -0.375 18916 4607 1 10 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.755 0.584 18916 4608 1 10 . 1 1 73 73 ASP N N 73 115.868 115.868 118.747 -2.879 18916 4609 1 10 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.280 -0.078 18916 4610 1 10 . 1 1 73 73 ASP C C 73 175.450 175.450 177.781 -2.331 18916 4611 1 10 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.366 -1.940 18916 4612 1 10 . 1 1 73 73 ASP CB C 73 39.355 39.355 40.001 -0.646 18916 4613 1 10 . 1 1 73 73 ASP H H 73 8.427 8.427 8.494 -0.067 18916 4614 1 10 . 1 1 74 74 TRP N N 74 121.252 121.252 121.380 -0.128 18916 4615 1 10 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.541 -0.923 18916 4616 1 10 . 1 1 74 74 TRP C C 74 178.472 178.472 177.503 0.969 18916 4617 1 10 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.688 -0.673 18916 4618 1 10 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.328 -0.599 18916 4619 1 10 . 1 1 74 74 TRP H H 74 7.833 7.833 7.482 0.351 18916 4620 1 10 . 1 1 75 75 ILE N N 75 116.185 116.185 119.341 -3.156 18916 4621 1 10 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.447 -0.203 18916 4622 1 10 . 1 1 75 75 ILE C C 75 176.728 176.728 177.904 -1.176 18916 4623 1 10 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.795 -1.900 18916 4624 1 10 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.338 -0.117 18916 4625 1 10 . 1 1 75 75 ILE H H 75 6.969 6.969 7.308 -0.339 18916 4626 1 10 . 1 1 76 76 VAL N N 76 117.042 117.042 119.657 -2.615 18916 4627 1 10 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.481 -0.285 18916 4628 1 10 . 1 1 76 76 VAL C C 76 178.675 178.675 178.363 0.312 18916 4629 1 10 . 1 1 76 76 VAL CA C 76 66.945 66.945 66.915 0.030 18916 4630 1 10 . 1 1 76 76 VAL CB C 76 32.645 32.645 30.700 1.945 18916 4631 1 10 . 1 1 76 76 VAL H H 76 7.056 7.056 7.928 -0.872 18916 4632 1 10 . 1 1 77 77 ASP N N 77 120.009 120.009 119.089 0.920 18916 4633 1 10 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.393 -0.089 18916 4634 1 10 . 1 1 77 77 ASP C C 77 178.515 178.515 178.380 0.135 18916 4635 1 10 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.109 -0.111 18916 4636 1 10 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.571 -1.720 18916 4637 1 10 . 1 1 77 77 ASP H H 77 9.171 9.171 8.047 1.124 18916 4638 1 10 . 1 1 78 78 SER N N 78 117.973 117.973 116.702 1.271 18916 4639 1 10 . 1 1 78 78 SER HA H 78 4.391 4.391 4.139 0.252 18916 4640 1 10 . 1 1 78 78 SER C C 78 175.290 175.290 176.437 -1.147 18916 4641 1 10 . 1 1 78 78 SER CA C 78 62.948 62.948 61.923 1.025 18916 4642 1 10 . 1 1 78 78 SER CB C 78 63.080 63.080 62.955 0.125 18916 4643 1 10 . 1 1 78 78 SER H H 78 7.056 7.056 7.613 -0.557 18916 4644 1 10 . 1 1 79 79 VAL N N 79 119.889 119.889 121.498 -1.609 18916 4645 1 10 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.247 -0.339 18916 4646 1 10 . 1 1 79 79 VAL C C 79 179.169 179.169 177.455 1.714 18916 4647 1 10 . 1 1 79 79 VAL CA C 79 66.864 66.864 66.457 0.407 18916 4648 1 10 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.658 -0.828 18916 4649 1 10 . 1 1 79 79 VAL H H 79 7.596 7.596 7.925 -0.329 18916 4650 1 10 . 1 1 80 80 LYS N N 80 121.062 121.062 118.185 2.877 18916 4651 1 10 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.023 -0.133 18916 4652 1 10 . 1 1 80 80 LYS C C 80 178.806 178.806 178.316 0.490 18916 4653 1 10 . 1 1 80 80 LYS CA C 80 59.779 59.779 59.070 0.709 18916 4654 1 10 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.462 -0.131 18916 4655 1 10 . 1 1 80 80 LYS H H 80 7.946 7.946 7.704 0.242 18916 4656 1 10 . 1 1 81 81 GLU N N 81 115.870 115.870 115.907 -0.037 18916 4657 1 10 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.303 -0.175 18916 4658 1 10 . 1 1 81 81 GLU C C 81 174.912 174.912 176.277 -1.365 18916 4659 1 10 . 1 1 81 81 GLU CA C 81 56.470 56.470 56.242 0.228 18916 4660 1 10 . 1 1 81 81 GLU CB C 81 29.613 29.613 30.281 -0.668 18916 4661 1 10 . 1 1 81 81 GLU H H 81 8.063 8.063 7.989 0.074 18916 4662 1 10 . 1 1 82 82 ALA N N 82 122.380 122.380 120.397 1.983 18916 4663 1 10 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.782 -0.074 18916 4664 1 10 . 1 1 82 82 ALA C C 82 175.711 175.711 175.861 -0.150 18916 4665 1 10 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.087 -0.626 18916 4666 1 10 . 1 1 82 82 ALA CB C 82 16.581 16.581 16.889 -0.308 18916 4667 1 10 . 1 1 82 82 ALA H H 82 7.931 7.931 7.636 0.295 18916 4668 1 10 . 1 1 83 83 ARG N N 83 115.619 115.619 114.526 1.093 18916 4669 1 10 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.439 -0.249 18916 4670 1 10 . 1 1 83 83 ARG C C 83 172.050 172.050 173.204 -1.154 18916 4671 1 10 . 1 1 83 83 ARG CA C 83 55.162 55.162 54.386 0.775 18916 4672 1 10 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.148 0.207 18916 4673 1 10 . 1 1 83 83 ARG H H 83 8.165 8.165 7.702 0.463 18916 4674 1 10 . 1 1 84 84 LEU N N 84 120.648 120.648 123.325 -2.677 18916 4675 1 10 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.271 -0.555 18916 4676 1 10 . 1 1 84 84 LEU C C 84 176.917 176.917 175.637 1.280 18916 4677 1 10 . 1 1 84 84 LEU CA C 84 54.985 54.985 53.671 1.314 18916 4678 1 10 . 1 1 84 84 LEU CB C 84 41.311 41.311 41.852 -0.541 18916 4679 1 10 . 1 1 84 84 LEU H H 84 8.325 8.325 8.409 -0.084 18916 4680 1 10 . 1 1 85 85 LEU N N 85 132.955 132.955 130.350 2.605 18916 4681 1 10 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.848 -0.251 18916 4682 1 10 . 1 1 85 85 LEU CA C 85 53.648 53.648 52.592 1.056 18916 4683 1 10 . 1 1 85 85 LEU CB C 85 40.363 40.363 42.208 -1.845 18916 4684 1 10 . 1 1 85 85 LEU H H 85 7.946 7.946 8.159 -0.213 18916 4685 1 10 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.380 0.205 18916 4686 1 10 . 1 1 86 86 PRO C C 86 178.835 178.835 177.663 1.172 18916 4687 1 10 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.120 0.655 18916 4688 1 10 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.257 0.292 18916 4689 1 10 . 1 1 87 87 TRP N N 87 128.323 128.323 126.641 1.682 18916 4690 1 10 . 1 1 87 87 TRP HA H 87 3.635 3.635 4.000 -0.365 18916 4691 1 10 . 1 1 87 87 TRP C C 87 177.963 177.963 177.400 0.563 18916 4692 1 10 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.198 0.355 18916 4693 1 10 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.724 -0.763 18916 4694 1 10 . 1 1 87 87 TRP H H 87 8.369 8.369 8.515 -0.146 18916 4695 1 10 . 1 1 88 88 GLN N N 88 120.928 120.928 119.877 1.051 18916 4696 1 10 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.749 -0.844 18916 4697 1 10 . 1 1 88 88 GLN C C 88 178.196 178.196 177.430 0.766 18916 4698 1 10 . 1 1 88 88 GLN CA C 88 59.922 59.922 58.035 1.887 18916 4699 1 10 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.242 -0.782 18916 4700 1 10 . 1 1 88 88 GLN H H 88 8.354 8.354 7.912 0.442 18916 4701 1 10 . 1 1 89 89 ASN N N 89 116.452 116.452 117.357 -0.905 18916 4702 1 10 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.403 -0.104 18916 4703 1 10 . 1 1 89 89 ASN C C 89 174.752 174.752 175.740 -0.988 18916 4704 1 10 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.618 -0.487 18916 4705 1 10 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.438 -1.077 18916 4706 1 10 . 1 1 89 89 ASN H H 89 7.304 7.304 7.700 -0.396 18916 4707 1 10 . 1 1 90 90 TYR N N 90 118.336 118.336 115.410 2.926 18916 4708 1 10 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.618 -0.004 18916 4709 1 10 . 1 1 90 90 TYR C C 90 174.534 174.534 175.092 -0.558 18916 4710 1 10 . 1 1 90 90 TYR CA C 90 57.534 57.534 56.713 0.821 18916 4711 1 10 . 1 1 90 90 TYR CB C 90 40.153 40.153 39.093 1.060 18916 4712 1 10 . 1 1 90 90 TYR H H 90 8.048 8.048 7.630 0.418 18916 4713 1 10 . 1 1 91 91 SER N N 91 114.053 114.053 117.476 -3.423 18916 4714 1 10 . 1 1 91 91 SER HA H 91 5.015 5.015 4.781 0.234 18916 4715 1 10 . 1 1 91 91 SER C C 91 176.205 176.205 175.602 0.603 18916 4716 1 10 . 1 1 91 91 SER CA C 91 58.037 58.037 57.835 0.202 18916 4717 1 10 . 1 1 91 91 SER CB C 91 64.342 64.342 62.822 1.520 18916 4718 1 10 . 1 1 91 91 SER H H 91 7.012 7.012 7.531 -0.519 18916 4719 1 10 . 1 1 92 92 LEU N N 92 126.106 126.106 126.809 -0.703 18916 4720 1 10 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.272 0.333 18916 4721 1 10 . 1 1 92 92 LEU C C 92 177.687 177.687 178.011 -0.324 18916 4722 1 10 . 1 1 92 92 LEU CA C 92 55.405 55.405 56.471 -1.066 18916 4723 1 10 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.727 1.160 18916 4724 1 10 . 1 1 92 92 LEU H H 92 8.777 8.777 8.169 0.608 18916 4725 1 10 . 1 1 93 93 THR N N 93 112.458 112.458 111.374 1.084 18916 4726 1 10 . 1 1 93 93 THR HA H 93 4.489 4.489 4.197 0.292 18916 4727 1 10 . 1 1 93 93 THR C C 93 173.851 173.851 175.230 -1.379 18916 4728 1 10 . 1 1 93 93 THR CA C 93 61.318 61.318 63.372 -2.054 18916 4729 1 10 . 1 1 93 93 THR CB C 93 69.853 69.853 68.967 0.886 18916 4730 1 10 . 1 1 93 93 THR H H 93 8.252 8.252 7.878 0.374 18916 4731 1 11 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.530 -0.748 18916 4732 1 11 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.558 1.320 18916 4733 1 11 . 1 1 4 4 GLN CB C 4 29.441 29.441 29.591 -0.150 18916 4734 1 11 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.607 -0.053 18916 4735 1 11 . 1 1 7 7 LYS C C 7 178.298 178.298 177.234 1.064 18916 4736 1 11 . 1 1 7 7 LYS CA C 7 54.750 54.750 55.498 -0.748 18916 4737 1 11 . 1 1 7 7 LYS CB C 7 32.593 32.593 32.524 0.069 18916 4738 1 11 . 1 1 8 8 ILE N N 8 119.676 119.676 122.260 -2.584 18916 4739 1 11 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.673 -0.089 18916 4740 1 11 . 1 1 8 8 ILE C C 8 177.164 177.164 176.370 0.794 18916 4741 1 11 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.539 1.373 18916 4742 1 11 . 1 1 8 8 ILE CB C 8 38.974 38.974 38.029 0.945 18916 4743 1 11 . 1 1 8 8 ILE H H 8 7.633 7.633 7.529 0.104 18916 4744 1 11 . 1 1 9 9 PHE N N 9 113.639 113.639 114.222 -0.583 18916 4745 1 11 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.790 0.122 18916 4746 1 11 . 1 1 9 9 PHE C C 9 174.520 174.520 175.875 -1.355 18916 4747 1 11 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.757 0.282 18916 4748 1 11 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.015 -0.301 18916 4749 1 11 . 1 1 9 9 PHE H H 9 8.403 8.403 7.553 0.850 18916 4750 1 11 . 1 1 10 10 LYS N N 10 120.104 120.104 122.407 -2.303 18916 4751 1 11 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.311 -0.168 18916 4752 1 11 . 1 1 10 10 LYS C C 10 177.600 177.600 177.970 -0.370 18916 4753 1 11 . 1 1 10 10 LYS CA C 10 58.508 58.508 59.587 -1.079 18916 4754 1 11 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.424 0.016 18916 4755 1 11 . 1 1 10 10 LYS H H 10 7.328 7.328 7.474 -0.146 18916 4756 1 11 . 1 1 11 11 ASN N N 11 116.960 116.960 115.169 1.791 18916 4757 1 11 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.869 -0.324 18916 4758 1 11 . 1 1 11 11 ASN C C 11 175.566 175.566 174.449 1.117 18916 4759 1 11 . 1 1 11 11 ASN CA C 11 55.479 55.479 53.383 2.096 18916 4760 1 11 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.592 -1.064 18916 4761 1 11 . 1 1 11 11 ASN H H 11 8.984 8.984 8.639 0.345 18916 4762 1 11 . 1 1 12 12 CYS N N 12 118.344 118.344 120.782 -2.438 18916 4763 1 11 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.717 0.409 18916 4764 1 11 . 1 1 12 12 CYS C C 12 175.014 175.014 172.938 2.076 18916 4765 1 11 . 1 1 12 12 CYS CA C 12 59.549 59.549 58.119 1.430 18916 4766 1 11 . 1 1 12 12 CYS CB C 12 29.319 29.319 29.339 -0.020 18916 4767 1 11 . 1 1 12 12 CYS H H 12 8.460 8.460 7.692 0.768 18916 4768 1 11 . 1 1 13 13 VAL N N 13 128.765 128.765 128.371 0.394 18916 4769 1 11 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.553 -0.164 18916 4770 1 11 . 1 1 13 13 VAL C C 13 174.912 174.912 174.909 0.003 18916 4771 1 11 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.882 0.412 18916 4772 1 11 . 1 1 13 13 VAL CB C 13 33.468 33.468 33.065 0.403 18916 4773 1 11 . 1 1 13 13 VAL H H 13 9.878 9.878 8.816 1.062 18916 4774 1 11 . 1 1 14 14 ILE N N 14 128.270 128.270 128.055 0.215 18916 4775 1 11 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.115 0.085 18916 4776 1 11 . 1 1 14 14 ILE C C 14 174.098 174.098 174.942 -0.844 18916 4777 1 11 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.819 0.485 18916 4778 1 11 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.400 1.144 18916 4779 1 11 . 1 1 14 14 ILE H H 14 8.841 8.841 8.416 0.425 18916 4780 1 11 . 1 1 15 15 TYR N N 15 125.475 125.475 128.726 -3.251 18916 4781 1 11 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.437 -0.328 18916 4782 1 11 . 1 1 15 15 TYR C C 15 173.023 173.023 173.834 -0.811 18916 4783 1 11 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.264 0.622 18916 4784 1 11 . 1 1 15 15 TYR CB C 15 42.813 42.813 42.248 0.564 18916 4785 1 11 . 1 1 15 15 TYR H H 15 8.023 8.023 9.014 -0.991 18916 4786 1 11 . 1 1 16 16 ILE N N 16 128.262 128.262 124.990 3.272 18916 4787 1 11 . 1 1 16 16 ILE HA H 16 4.367 4.367 3.944 0.423 18916 4788 1 11 . 1 1 16 16 ILE C C 16 173.895 173.895 173.670 0.225 18916 4789 1 11 . 1 1 16 16 ILE CA C 16 59.688 59.688 59.957 -0.269 18916 4790 1 11 . 1 1 16 16 ILE CB C 16 36.912 36.912 39.566 -2.654 18916 4791 1 11 . 1 1 16 16 ILE H H 16 8.708 8.708 8.196 0.512 18916 4792 1 11 . 1 1 17 17 ASN N N 17 126.842 126.842 125.210 1.632 18916 4793 1 11 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.679 -0.018 18916 4794 1 11 . 1 1 17 17 ASN C C 17 174.171 174.171 174.638 -0.467 18916 4795 1 11 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.661 1.226 18916 4796 1 11 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.059 1.885 18916 4797 1 11 . 1 1 17 17 ASN H H 17 8.974 8.974 8.450 0.524 18916 4798 1 11 . 1 1 18 18 GLY N N 18 113.508 113.508 112.827 0.681 18916 4799 1 11 . 1 1 18 18 GLY C C 18 172.529 172.529 173.165 -0.636 18916 4800 1 11 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.704 0.481 18916 4801 1 11 . 1 1 18 18 GLY H H 18 8.727 8.727 8.198 0.529 18916 4802 1 11 . 1 1 19 19 TYR N N 19 121.021 121.021 122.411 -1.390 18916 4803 1 11 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.625 -0.175 18916 4804 1 11 . 1 1 19 19 TYR C C 19 176.147 176.147 175.273 0.874 18916 4805 1 11 . 1 1 19 19 TYR CA C 19 58.982 58.982 57.546 1.436 18916 4806 1 11 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.089 0.612 18916 4807 1 11 . 1 1 19 19 TYR H H 19 8.651 8.651 8.430 0.221 18916 4808 1 11 . 1 1 20 20 THR N N 20 117.677 117.677 116.478 1.199 18916 4809 1 11 . 1 1 20 20 THR HA H 20 4.279 4.279 4.548 -0.269 18916 4810 1 11 . 1 1 20 20 THR C C 20 171.803 171.803 173.450 -1.647 18916 4811 1 11 . 1 1 20 20 THR CA C 20 59.986 59.986 60.590 -0.605 18916 4812 1 11 . 1 1 20 20 THR CB C 20 73.362 73.362 70.856 2.506 18916 4813 1 11 . 1 1 20 20 THR H H 20 7.242 7.242 8.231 -0.989 18916 4814 1 11 . 1 1 21 21 LYS N N 21 120.592 120.592 124.388 -3.796 18916 4815 1 11 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.748 -0.701 18916 4816 1 11 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.439 1.591 18916 4817 1 11 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.735 2.091 18916 4818 1 11 . 1 1 21 21 LYS H H 21 7.718 7.718 8.383 -0.665 18916 4819 1 11 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.440 0.150 18916 4820 1 11 . 1 1 22 22 PRO C C 22 175.043 175.043 176.901 -1.858 18916 4821 1 11 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.464 0.484 18916 4822 1 11 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.494 2.046 18916 4823 1 11 . 1 1 23 23 GLY N N 23 105.352 105.352 106.384 -1.032 18916 4824 1 11 . 1 1 23 23 GLY C C 23 172.762 172.762 175.944 -3.182 18916 4825 1 11 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.825 0.055 18916 4826 1 11 . 1 1 23 23 GLY H H 23 8.356 8.356 8.493 -0.137 18916 4827 1 11 . 1 1 24 24 ARG N N 24 119.274 119.274 123.097 -3.823 18916 4828 1 11 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.674 -0.399 18916 4829 1 11 . 1 1 24 24 ARG C C 24 176.263 176.263 178.288 -2.025 18916 4830 1 11 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.838 1.082 18916 4831 1 11 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.559 0.771 18916 4832 1 11 . 1 1 24 24 ARG H H 24 7.813 7.813 8.779 -0.966 18916 4833 1 11 . 1 1 25 25 LEU N N 25 116.403 116.403 115.643 0.760 18916 4834 1 11 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.320 -0.630 18916 4835 1 11 . 1 1 25 25 LEU C C 25 179.562 179.562 178.813 0.749 18916 4836 1 11 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.348 1.043 18916 4837 1 11 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.804 0.040 18916 4838 1 11 . 1 1 25 25 LEU H H 25 8.156 8.156 8.011 0.145 18916 4839 1 11 . 1 1 26 26 GLN N N 26 118.294 118.294 119.056 -0.762 18916 4840 1 11 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.102 -0.136 18916 4841 1 11 . 1 1 26 26 GLN C C 26 179.358 179.358 178.437 0.921 18916 4842 1 11 . 1 1 26 26 GLN CA C 26 59.322 59.322 58.055 1.267 18916 4843 1 11 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.308 -0.251 18916 4844 1 11 . 1 1 26 26 GLN H H 26 7.423 7.423 7.580 -0.157 18916 4845 1 11 . 1 1 27 27 LEU N N 27 119.419 119.419 119.834 -0.415 18916 4846 1 11 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.728 0.200 18916 4847 1 11 . 1 1 27 27 LEU C C 27 178.777 178.777 178.968 -0.191 18916 4848 1 11 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.416 -0.392 18916 4849 1 11 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.589 0.301 18916 4850 1 11 . 1 1 27 27 LEU H H 27 8.127 8.127 8.151 -0.024 18916 4851 1 11 . 1 1 28 28 HIS N N 28 118.332 118.332 117.196 1.136 18916 4852 1 11 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.964 -0.222 18916 4853 1 11 . 1 1 28 28 HIS C C 28 177.121 177.121 177.737 -0.616 18916 4854 1 11 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.602 -1.804 18916 4855 1 11 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.545 -0.104 18916 4856 1 11 . 1 1 28 28 HIS H H 28 8.727 8.727 7.764 0.963 18916 4857 1 11 . 1 1 29 29 GLU N N 29 116.699 116.699 119.156 -2.457 18916 4858 1 11 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.967 0.011 18916 4859 1 11 . 1 1 29 29 GLU C C 29 178.951 178.951 178.959 -0.008 18916 4860 1 11 . 1 1 29 29 GLU CA C 29 59.276 59.276 58.820 0.456 18916 4861 1 11 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.180 0.503 18916 4862 1 11 . 1 1 29 29 GLU H H 29 7.518 7.518 7.707 -0.189 18916 4863 1 11 . 1 1 30 30 MET N N 30 118.090 118.090 118.736 -0.646 18916 4864 1 11 . 1 1 30 30 MET HA H 30 4.055 4.055 4.244 -0.189 18916 4865 1 11 . 1 1 30 30 MET C C 30 177.992 177.992 179.178 -1.186 18916 4866 1 11 . 1 1 30 30 MET CA C 30 60.040 60.040 57.817 2.223 18916 4867 1 11 . 1 1 30 30 MET CB C 30 34.522 34.522 31.785 2.737 18916 4868 1 11 . 1 1 30 30 MET H H 30 7.766 7.766 8.158 -0.392 18916 4869 1 11 . 1 1 31 31 ILE N N 31 118.458 118.458 119.964 -1.506 18916 4870 1 11 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.648 -0.396 18916 4871 1 11 . 1 1 31 31 ILE C C 31 178.007 178.007 178.508 -0.501 18916 4872 1 11 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.394 -0.503 18916 4873 1 11 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.276 0.906 18916 4874 1 11 . 1 1 31 31 ILE H H 31 8.337 8.337 7.853 0.484 18916 4875 1 11 . 1 1 32 32 VAL N N 32 117.878 117.878 120.112 -2.234 18916 4876 1 11 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.018 -0.015 18916 4877 1 11 . 1 1 32 32 VAL C C 32 180.884 180.884 178.850 2.034 18916 4878 1 11 . 1 1 32 32 VAL CA C 32 65.376 65.376 66.448 -1.072 18916 4879 1 11 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.555 0.442 18916 4880 1 11 . 1 1 32 32 VAL H H 32 7.888 7.888 7.568 0.320 18916 4881 1 11 . 1 1 33 33 LEU N N 33 123.609 123.609 118.982 4.627 18916 4882 1 11 . 1 1 33 33 LEU HA H 33 4.073 4.073 3.989 0.084 18916 4883 1 11 . 1 1 33 33 LEU C C 33 177.498 177.498 177.819 -0.321 18916 4884 1 11 . 1 1 33 33 LEU CA C 33 57.662 57.662 57.319 0.343 18916 4885 1 11 . 1 1 33 33 LEU CB C 33 42.290 42.290 41.079 1.211 18916 4886 1 11 . 1 1 33 33 LEU H H 33 8.281 8.281 8.020 0.261 18916 4887 1 11 . 1 1 34 34 HIS N N 34 113.272 113.272 114.061 -0.789 18916 4888 1 11 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.621 0.094 18916 4889 1 11 . 1 1 34 34 HIS C C 34 175.464 175.464 175.639 -0.175 18916 4890 1 11 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.994 0.402 18916 4891 1 11 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.057 0.711 18916 4892 1 11 . 1 1 34 34 HIS H H 34 7.319 7.319 7.589 -0.270 18916 4893 1 11 . 1 1 35 35 GLY N N 35 104.307 104.307 106.586 -2.279 18916 4894 1 11 . 1 1 35 35 GLY C C 35 174.985 174.985 174.000 0.985 18916 4895 1 11 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.587 1.727 18916 4896 1 11 . 1 1 35 35 GLY H H 35 7.392 7.392 7.967 -0.575 18916 4897 1 11 . 1 1 36 36 GLY N N 36 108.630 108.630 106.463 2.167 18916 4898 1 11 . 1 1 36 36 GLY C C 36 171.701 171.701 173.035 -1.334 18916 4899 1 11 . 1 1 36 36 GLY CA C 36 44.392 44.392 43.600 0.792 18916 4900 1 11 . 1 1 36 36 GLY H H 36 8.763 8.763 7.922 0.841 18916 4901 1 11 . 1 1 37 37 LYS N N 37 115.119 115.119 120.193 -5.074 18916 4902 1 11 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.967 -0.353 18916 4903 1 11 . 1 1 37 37 LYS C C 37 174.302 174.302 175.695 -1.393 18916 4904 1 11 . 1 1 37 37 LYS CA C 37 54.319 54.319 55.006 -0.687 18916 4905 1 11 . 1 1 37 37 LYS CB C 37 37.250 37.250 35.822 1.428 18916 4906 1 11 . 1 1 37 37 LYS H H 37 7.406 7.406 8.040 -0.634 18916 4907 1 11 . 1 1 38 38 PHE N N 38 117.196 117.196 118.247 -1.051 18916 4908 1 11 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.431 0.457 18916 4909 1 11 . 1 1 38 38 PHE C C 38 173.604 173.604 173.806 -0.202 18916 4910 1 11 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.253 -0.401 18916 4911 1 11 . 1 1 38 38 PHE CB C 38 43.379 43.379 42.013 1.366 18916 4912 1 11 . 1 1 38 38 PHE H H 38 7.844 7.844 8.145 -0.301 18916 4913 1 11 . 1 1 39 39 LEU N N 39 119.576 119.576 121.469 -1.893 18916 4914 1 11 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.542 0.062 18916 4915 1 11 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.449 -0.788 18916 4916 1 11 . 1 1 39 39 LEU CB C 39 45.901 45.901 46.266 -0.365 18916 4917 1 11 . 1 1 39 39 LEU H H 39 8.223 8.223 8.638 -0.415 18916 4918 1 11 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.572 0.067 18916 4919 1 11 . 1 1 40 40 HIS C C 40 174.694 174.694 174.655 0.039 18916 4920 1 11 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.336 1.334 18916 4921 1 11 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.857 1.033 18916 4922 1 11 . 1 1 41 41 TYR N N 41 115.005 115.005 118.931 -3.926 18916 4923 1 11 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.454 0.206 18916 4924 1 11 . 1 1 41 41 TYR C C 41 173.023 173.023 173.695 -0.672 18916 4925 1 11 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.532 -1.634 18916 4926 1 11 . 1 1 41 41 TYR CB C 41 40.313 40.313 40.593 -0.280 18916 4927 1 11 . 1 1 41 41 TYR H H 41 7.363 7.363 7.729 -0.366 18916 4928 1 11 . 1 1 42 42 LEU N N 42 121.687 121.687 125.332 -3.645 18916 4929 1 11 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.433 -0.545 18916 4930 1 11 . 1 1 42 42 LEU CA C 42 54.041 54.041 53.871 0.170 18916 4931 1 11 . 1 1 42 42 LEU CB C 42 41.096 41.096 43.507 -2.411 18916 4932 1 11 . 1 1 42 42 LEU H H 42 8.252 8.252 7.475 0.777 18916 4933 1 11 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.906 -0.672 18916 4934 1 11 . 1 1 46 46 LYS CA C 46 56.885 56.885 56.768 0.117 18916 4935 1 11 . 1 1 46 46 LYS CB C 46 32.542 32.542 32.100 0.442 18916 4936 1 11 . 1 1 47 47 THR HA H 47 4.168 4.168 4.148 0.020 18916 4937 1 11 . 1 1 47 47 THR C C 47 174.186 174.186 174.513 -0.327 18916 4938 1 11 . 1 1 47 47 THR CA C 47 62.706 62.706 63.722 -1.016 18916 4939 1 11 . 1 1 47 47 THR CB C 47 69.762 69.762 68.999 0.763 18916 4940 1 11 . 1 1 48 48 VAL N N 48 123.218 123.218 118.464 4.754 18916 4941 1 11 . 1 1 48 48 VAL HA H 48 3.843 3.843 3.972 -0.129 18916 4942 1 11 . 1 1 48 48 VAL C C 48 174.985 174.985 175.467 -0.482 18916 4943 1 11 . 1 1 48 48 VAL CA C 48 62.146 62.146 62.154 -0.008 18916 4944 1 11 . 1 1 48 48 VAL CB C 48 33.167 33.167 33.090 0.077 18916 4945 1 11 . 1 1 48 48 VAL H H 48 7.771 7.771 7.290 0.481 18916 4946 1 11 . 1 1 49 49 THR N N 49 116.982 116.982 119.500 -2.518 18916 4947 1 11 . 1 1 49 49 THR HA H 49 4.319 4.319 4.479 -0.160 18916 4948 1 11 . 1 1 49 49 THR C C 49 176.118 176.118 173.601 2.517 18916 4949 1 11 . 1 1 49 49 THR CA C 49 62.831 62.831 61.129 1.702 18916 4950 1 11 . 1 1 49 49 THR CB C 49 69.114 69.114 69.540 -0.426 18916 4951 1 11 . 1 1 49 49 THR H H 49 9.798 9.798 8.322 1.476 18916 4952 1 11 . 1 1 50 50 HIS N N 50 121.799 121.799 119.531 2.268 18916 4953 1 11 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.280 -0.364 18916 4954 1 11 . 1 1 50 50 HIS C C 50 172.849 172.849 173.469 -0.620 18916 4955 1 11 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.556 2.098 18916 4956 1 11 . 1 1 50 50 HIS CB C 50 34.649 34.649 32.925 1.724 18916 4957 1 11 . 1 1 50 50 HIS H H 50 7.596 7.596 7.677 -0.081 18916 4958 1 11 . 1 1 51 51 ILE N N 51 123.013 123.013 124.598 -1.585 18916 4959 1 11 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.799 0.181 18916 4960 1 11 . 1 1 51 51 ILE C C 51 174.505 174.505 174.738 -0.233 18916 4961 1 11 . 1 1 51 51 ILE CA C 51 58.967 58.967 59.964 -0.997 18916 4962 1 11 . 1 1 51 51 ILE CB C 51 39.153 39.153 40.999 -1.846 18916 4963 1 11 . 1 1 51 51 ILE H H 51 8.996 8.996 8.164 0.832 18916 4964 1 11 . 1 1 52 52 VAL N N 52 127.413 127.413 127.988 -0.575 18916 4965 1 11 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.494 0.808 18916 4966 1 11 . 1 1 52 52 VAL C C 52 174.084 174.084 174.339 -0.255 18916 4967 1 11 . 1 1 52 52 VAL CA C 52 59.207 59.207 61.837 -2.630 18916 4968 1 11 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.052 1.207 18916 4969 1 11 . 1 1 52 52 VAL H H 52 8.821 8.821 8.551 0.270 18916 4970 1 11 . 1 1 53 53 ALA N N 53 127.601 127.601 130.082 -2.481 18916 4971 1 11 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.167 -0.545 18916 4972 1 11 . 1 1 53 53 ALA C C 53 174.680 174.680 176.155 -1.475 18916 4973 1 11 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.519 0.391 18916 4974 1 11 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.848 0.312 18916 4975 1 11 . 1 1 53 53 ALA H H 53 8.967 8.967 8.740 0.227 18916 4976 1 11 . 1 1 54 54 SER N N 54 113.005 113.005 118.285 -5.280 18916 4977 1 11 . 1 1 54 54 SER HA H 54 4.657 4.657 4.436 0.221 18916 4978 1 11 . 1 1 54 54 SER C C 54 174.229 174.229 174.880 -0.651 18916 4979 1 11 . 1 1 54 54 SER CA C 54 59.671 59.671 59.753 -0.082 18916 4980 1 11 . 1 1 54 54 SER CB C 54 64.852 64.852 63.909 0.943 18916 4981 1 11 . 1 1 54 54 SER H H 54 9.303 9.303 8.816 0.487 18916 4982 1 11 . 1 1 55 55 ASN N N 55 117.475 117.475 119.618 -2.143 18916 4983 1 11 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.893 -0.292 18916 4984 1 11 . 1 1 55 55 ASN C C 55 173.052 173.052 173.510 -0.458 18916 4985 1 11 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.927 0.198 18916 4986 1 11 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.081 0.529 18916 4987 1 11 . 1 1 55 55 ASN H H 55 7.917 7.917 8.454 -0.537 18916 4988 1 11 . 1 1 56 56 LEU N N 56 122.146 122.146 125.402 -3.256 18916 4989 1 11 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.751 0.049 18916 4990 1 11 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.538 0.367 18916 4991 1 11 . 1 1 56 56 LEU CB C 56 44.592 44.592 43.646 0.946 18916 4992 1 11 . 1 1 56 56 LEU H H 56 8.792 8.792 8.446 0.346 18916 4993 1 11 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.654 -0.089 18916 4994 1 11 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.252 -0.062 18916 4995 1 11 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.901 -0.402 18916 4996 1 11 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.974 -0.054 18916 4997 1 11 . 1 1 58 58 LEU C C 58 178.806 178.806 178.897 -0.091 18916 4998 1 11 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.171 1.001 18916 4999 1 11 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.548 0.041 18916 5000 1 11 . 1 1 59 59 LYS N N 59 115.039 115.039 120.007 -4.968 18916 5001 1 11 . 1 1 59 59 LYS HA H 59 3.972 3.972 3.988 -0.016 18916 5002 1 11 . 1 1 59 59 LYS C C 59 179.053 179.053 178.468 0.585 18916 5003 1 11 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.886 0.638 18916 5004 1 11 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.569 0.842 18916 5005 1 11 . 1 1 59 59 LYS H H 59 8.763 8.763 8.380 0.383 18916 5006 1 11 . 1 1 60 60 LYS N N 60 116.433 116.433 117.940 -1.507 18916 5007 1 11 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.996 -0.036 18916 5008 1 11 . 1 1 60 60 LYS C C 60 176.874 176.874 179.407 -2.533 18916 5009 1 11 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.275 -2.554 18916 5010 1 11 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.901 0.033 18916 5011 1 11 . 1 1 60 60 LYS H H 60 7.158 7.158 7.729 -0.571 18916 5012 1 11 . 1 1 61 61 ARG N N 61 120.369 120.369 120.261 0.108 18916 5013 1 11 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.181 -0.357 18916 5014 1 11 . 1 1 61 61 ARG C C 61 179.213 179.213 177.885 1.328 18916 5015 1 11 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.343 0.471 18916 5016 1 11 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.070 -0.199 18916 5017 1 11 . 1 1 61 61 ARG H H 61 7.902 7.902 7.843 0.059 18916 5018 1 11 . 1 1 62 62 ILE N N 62 117.956 117.956 119.149 -1.193 18916 5019 1 11 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.794 0.014 18916 5020 1 11 . 1 1 62 62 ILE C C 62 178.966 178.966 178.722 0.244 18916 5021 1 11 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.667 -0.505 18916 5022 1 11 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.886 0.133 18916 5023 1 11 . 1 1 62 62 ILE H H 62 7.727 7.727 7.600 0.127 18916 5024 1 11 . 1 1 63 63 GLU N N 63 121.877 121.877 120.355 1.522 18916 5025 1 11 . 1 1 63 63 GLU HA H 63 3.950 3.950 3.947 0.003 18916 5026 1 11 . 1 1 63 63 GLU C C 63 178.792 178.792 177.607 1.185 18916 5027 1 11 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.520 0.781 18916 5028 1 11 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.296 0.526 18916 5029 1 11 . 1 1 63 63 GLU H H 63 7.713 7.713 8.169 -0.456 18916 5030 1 11 . 1 1 64 64 PHE N N 64 115.684 115.684 116.117 -0.433 18916 5031 1 11 . 1 1 64 64 PHE HA H 64 5.078 5.078 5.031 0.047 18916 5032 1 11 . 1 1 64 64 PHE C C 64 175.886 175.886 175.644 0.242 18916 5033 1 11 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.955 -2.096 18916 5034 1 11 . 1 1 64 64 PHE CB C 64 37.431 37.431 38.734 -1.303 18916 5035 1 11 . 1 1 64 64 PHE H H 64 8.077 8.077 7.807 0.270 18916 5036 1 11 . 1 1 65 65 ALA N N 65 122.616 122.616 124.632 -2.016 18916 5037 1 11 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.133 0.031 18916 5038 1 11 . 1 1 65 65 ALA C C 65 178.356 178.356 177.980 0.376 18916 5039 1 11 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.920 0.501 18916 5040 1 11 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.852 0.391 18916 5041 1 11 . 1 1 65 65 ALA H H 65 7.290 7.290 7.293 -0.003 18916 5042 1 11 . 1 1 66 66 ASN N N 66 112.567 112.567 113.946 -1.379 18916 5043 1 11 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.411 0.194 18916 5044 1 11 . 1 1 66 66 ASN C C 66 174.374 174.374 175.002 -0.628 18916 5045 1 11 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.276 -0.922 18916 5046 1 11 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.433 -0.514 18916 5047 1 11 . 1 1 66 66 ASN H H 66 8.602 8.602 8.382 0.220 18916 5048 1 11 . 1 1 67 67 TYR N N 67 118.682 118.682 118.805 -0.123 18916 5049 1 11 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.462 0.066 18916 5050 1 11 . 1 1 67 67 TYR C C 67 175.072 175.072 175.536 -0.464 18916 5051 1 11 . 1 1 67 67 TYR CA C 67 56.641 56.641 56.484 0.157 18916 5052 1 11 . 1 1 67 67 TYR CB C 67 40.822 40.822 38.938 1.884 18916 5053 1 11 . 1 1 67 67 TYR H H 67 7.873 7.873 7.377 0.496 18916 5054 1 11 . 1 1 68 68 LYS N N 68 121.419 121.419 125.276 -3.857 18916 5055 1 11 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.367 -0.567 18916 5056 1 11 . 1 1 68 68 LYS C C 68 174.491 174.491 175.919 -1.428 18916 5057 1 11 . 1 1 68 68 LYS CA C 68 56.246 56.246 55.243 1.003 18916 5058 1 11 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.880 1.784 18916 5059 1 11 . 1 1 68 68 LYS H H 68 7.771 7.771 8.412 -0.641 18916 5060 1 11 . 1 1 69 69 VAL N N 69 126.113 126.113 122.704 3.409 18916 5061 1 11 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.791 0.391 18916 5062 1 11 . 1 1 69 69 VAL C C 69 176.365 176.365 175.810 0.555 18916 5063 1 11 . 1 1 69 69 VAL CA C 69 60.879 60.879 61.275 -0.396 18916 5064 1 11 . 1 1 69 69 VAL CB C 69 32.355 32.355 31.351 1.004 18916 5065 1 11 . 1 1 69 69 VAL H H 69 8.384 8.384 8.024 0.360 18916 5066 1 11 . 1 1 70 70 VAL N N 70 120.358 120.358 120.830 -0.472 18916 5067 1 11 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.032 0.345 18916 5068 1 11 . 1 1 70 70 VAL C C 70 174.040 174.040 174.737 -0.697 18916 5069 1 11 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.810 -0.961 18916 5070 1 11 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.419 1.335 18916 5071 1 11 . 1 1 70 70 VAL H H 70 9.390 9.390 8.883 0.507 18916 5072 1 11 . 1 1 71 71 SER N N 71 114.634 114.634 115.255 -0.621 18916 5073 1 11 . 1 1 71 71 SER HA H 71 5.630 5.630 5.440 0.190 18916 5074 1 11 . 1 1 71 71 SER CA C 71 60.584 60.584 54.744 5.840 18916 5075 1 11 . 1 1 71 71 SER CB C 71 60.367 60.367 63.975 -3.608 18916 5076 1 11 . 1 1 71 71 SER H H 71 8.354 8.354 8.174 0.180 18916 5077 1 11 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.350 -0.214 18916 5078 1 11 . 1 1 72 72 PRO C C 72 177.193 177.193 177.887 -0.694 18916 5079 1 11 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.271 -0.209 18916 5080 1 11 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.774 0.565 18916 5081 1 11 . 1 1 73 73 ASP N N 73 115.868 115.868 119.471 -3.603 18916 5082 1 11 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.348 -0.146 18916 5083 1 11 . 1 1 73 73 ASP C C 73 175.450 175.450 177.841 -2.391 18916 5084 1 11 . 1 1 73 73 ASP CA C 73 56.426 56.426 57.935 -1.509 18916 5085 1 11 . 1 1 73 73 ASP CB C 73 39.355 39.355 40.157 -0.802 18916 5086 1 11 . 1 1 73 73 ASP H H 73 8.427 8.427 7.838 0.589 18916 5087 1 11 . 1 1 74 74 TRP N N 74 121.252 121.252 121.680 -0.428 18916 5088 1 11 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.198 -0.580 18916 5089 1 11 . 1 1 74 74 TRP C C 74 178.472 178.472 177.274 1.198 18916 5090 1 11 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.452 -0.437 18916 5091 1 11 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.088 -0.358 18916 5092 1 11 . 1 1 74 74 TRP H H 74 7.833 7.833 7.604 0.229 18916 5093 1 11 . 1 1 75 75 ILE N N 75 116.185 116.185 118.628 -2.443 18916 5094 1 11 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.484 -0.240 18916 5095 1 11 . 1 1 75 75 ILE C C 75 176.728 176.728 177.746 -1.018 18916 5096 1 11 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.549 -1.654 18916 5097 1 11 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.391 -0.170 18916 5098 1 11 . 1 1 75 75 ILE H H 75 6.969 6.969 7.475 -0.506 18916 5099 1 11 . 1 1 76 76 VAL N N 76 117.042 117.042 120.322 -3.280 18916 5100 1 11 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.482 -0.286 18916 5101 1 11 . 1 1 76 76 VAL C C 76 178.675 178.675 177.914 0.761 18916 5102 1 11 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.550 -0.605 18916 5103 1 11 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.259 1.386 18916 5104 1 11 . 1 1 76 76 VAL H H 76 7.056 7.056 7.804 -0.748 18916 5105 1 11 . 1 1 77 77 ASP N N 77 120.009 120.009 119.225 0.784 18916 5106 1 11 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.336 -0.032 18916 5107 1 11 . 1 1 77 77 ASP C C 77 178.515 178.515 178.449 0.066 18916 5108 1 11 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.631 -0.633 18916 5109 1 11 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.403 -1.553 18916 5110 1 11 . 1 1 77 77 ASP H H 77 9.171 9.171 8.216 0.955 18916 5111 1 11 . 1 1 78 78 SER N N 78 117.973 117.973 115.612 2.361 18916 5112 1 11 . 1 1 78 78 SER HA H 78 4.391 4.391 4.211 0.180 18916 5113 1 11 . 1 1 78 78 SER C C 78 175.290 175.290 176.286 -0.996 18916 5114 1 11 . 1 1 78 78 SER CA C 78 62.948 62.948 60.910 2.038 18916 5115 1 11 . 1 1 78 78 SER CB C 78 63.080 63.080 62.663 0.417 18916 5116 1 11 . 1 1 78 78 SER H H 78 7.056 7.056 7.520 -0.464 18916 5117 1 11 . 1 1 79 79 VAL N N 79 119.889 119.889 121.005 -1.116 18916 5118 1 11 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.287 -0.379 18916 5119 1 11 . 1 1 79 79 VAL C C 79 179.169 179.169 177.619 1.550 18916 5120 1 11 . 1 1 79 79 VAL CA C 79 66.864 66.864 66.093 0.771 18916 5121 1 11 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.761 -0.931 18916 5122 1 11 . 1 1 79 79 VAL H H 79 7.596 7.596 7.510 0.086 18916 5123 1 11 . 1 1 80 80 LYS N N 80 121.062 121.062 118.974 2.088 18916 5124 1 11 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.057 -0.167 18916 5125 1 11 . 1 1 80 80 LYS C C 80 178.806 178.806 178.528 0.278 18916 5126 1 11 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.806 0.973 18916 5127 1 11 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.525 -0.194 18916 5128 1 11 . 1 1 80 80 LYS H H 80 7.946 7.946 7.548 0.398 18916 5129 1 11 . 1 1 81 81 GLU N N 81 115.870 115.870 115.633 0.237 18916 5130 1 11 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.357 -0.229 18916 5131 1 11 . 1 1 81 81 GLU C C 81 174.912 174.912 176.007 -1.095 18916 5132 1 11 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.661 0.809 18916 5133 1 11 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.848 -0.234 18916 5134 1 11 . 1 1 81 81 GLU H H 81 8.063 8.063 7.978 0.085 18916 5135 1 11 . 1 1 82 82 ALA N N 82 122.380 122.380 120.949 1.431 18916 5136 1 11 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.888 -0.180 18916 5137 1 11 . 1 1 82 82 ALA C C 82 175.711 175.711 176.040 -0.329 18916 5138 1 11 . 1 1 82 82 ALA CA C 82 52.461 52.461 52.998 -0.537 18916 5139 1 11 . 1 1 82 82 ALA CB C 82 16.581 16.581 16.932 -0.351 18916 5140 1 11 . 1 1 82 82 ALA H H 82 7.931 7.931 7.589 0.342 18916 5141 1 11 . 1 1 83 83 ARG N N 83 115.619 115.619 114.256 1.363 18916 5142 1 11 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.615 -0.425 18916 5143 1 11 . 1 1 83 83 ARG C C 83 172.050 172.050 173.647 -1.597 18916 5144 1 11 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.679 1.483 18916 5145 1 11 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.532 -0.177 18916 5146 1 11 . 1 1 83 83 ARG H H 83 8.165 8.165 7.308 0.857 18916 5147 1 11 . 1 1 84 84 LEU N N 84 120.648 120.648 123.689 -3.041 18916 5148 1 11 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.248 -0.532 18916 5149 1 11 . 1 1 84 84 LEU C C 84 176.917 176.917 175.678 1.239 18916 5150 1 11 . 1 1 84 84 LEU CA C 84 54.985 54.985 53.513 1.472 18916 5151 1 11 . 1 1 84 84 LEU CB C 84 41.311 41.311 41.691 -0.380 18916 5152 1 11 . 1 1 84 84 LEU H H 84 8.325 8.325 8.491 -0.166 18916 5153 1 11 . 1 1 85 85 LEU N N 85 132.955 132.955 129.699 3.256 18916 5154 1 11 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.686 -0.089 18916 5155 1 11 . 1 1 85 85 LEU CA C 85 53.648 53.648 52.306 1.343 18916 5156 1 11 . 1 1 85 85 LEU CB C 85 40.363 40.363 41.956 -1.593 18916 5157 1 11 . 1 1 85 85 LEU H H 85 7.946 7.946 8.083 -0.137 18916 5158 1 11 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.110 0.475 18916 5159 1 11 . 1 1 86 86 PRO C C 86 178.835 178.835 177.800 1.035 18916 5160 1 11 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.306 0.469 18916 5161 1 11 . 1 1 86 86 PRO CB C 86 31.549 31.549 30.795 0.754 18916 5162 1 11 . 1 1 87 87 TRP N N 87 128.323 128.323 126.630 1.693 18916 5163 1 11 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.877 -0.242 18916 5164 1 11 . 1 1 87 87 TRP C C 87 177.963 177.963 177.401 0.562 18916 5165 1 11 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.225 0.328 18916 5166 1 11 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.285 -0.324 18916 5167 1 11 . 1 1 87 87 TRP H H 87 8.369 8.369 8.077 0.292 18916 5168 1 11 . 1 1 88 88 GLN N N 88 120.928 120.928 118.096 2.832 18916 5169 1 11 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.920 -1.015 18916 5170 1 11 . 1 1 88 88 GLN C C 88 178.196 178.196 176.447 1.749 18916 5171 1 11 . 1 1 88 88 GLN CA C 88 59.922 59.922 58.150 1.772 18916 5172 1 11 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.363 -0.903 18916 5173 1 11 . 1 1 88 88 GLN H H 88 8.354 8.354 7.816 0.538 18916 5174 1 11 . 1 1 89 89 ASN N N 89 116.452 116.452 117.141 -0.689 18916 5175 1 11 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.420 -0.121 18916 5176 1 11 . 1 1 89 89 ASN C C 89 174.752 174.752 176.464 -1.712 18916 5177 1 11 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.600 -0.469 18916 5178 1 11 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.357 -0.996 18916 5179 1 11 . 1 1 89 89 ASN H H 89 7.304 7.304 7.775 -0.471 18916 5180 1 11 . 1 1 90 90 TYR N N 90 118.336 118.336 117.081 1.255 18916 5181 1 11 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.593 0.021 18916 5182 1 11 . 1 1 90 90 TYR C C 90 174.534 174.534 175.678 -1.144 18916 5183 1 11 . 1 1 90 90 TYR CA C 90 57.534 57.534 57.894 -0.360 18916 5184 1 11 . 1 1 90 90 TYR CB C 90 40.153 40.153 39.023 1.131 18916 5185 1 11 . 1 1 90 90 TYR H H 90 8.048 8.048 7.573 0.475 18916 5186 1 11 . 1 1 91 91 SER N N 91 114.053 114.053 117.236 -3.183 18916 5187 1 11 . 1 1 91 91 SER HA H 91 5.015 5.015 4.729 0.286 18916 5188 1 11 . 1 1 91 91 SER C C 91 176.205 176.205 174.661 1.544 18916 5189 1 11 . 1 1 91 91 SER CA C 91 58.037 58.037 59.193 -1.156 18916 5190 1 11 . 1 1 91 91 SER CB C 91 64.342 64.342 62.770 1.572 18916 5191 1 11 . 1 1 91 91 SER H H 91 7.012 7.012 7.779 -0.767 18916 5192 1 11 . 1 1 92 92 LEU N N 92 126.106 126.106 126.483 -0.377 18916 5193 1 11 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.357 0.248 18916 5194 1 11 . 1 1 92 92 LEU C C 92 177.687 177.687 178.155 -0.468 18916 5195 1 11 . 1 1 92 92 LEU CA C 92 55.405 55.405 55.724 -0.319 18916 5196 1 11 . 1 1 92 92 LEU CB C 92 42.887 42.887 40.917 1.970 18916 5197 1 11 . 1 1 92 92 LEU H H 92 8.777 8.777 8.539 0.238 18916 5198 1 11 . 1 1 93 93 THR N N 93 112.458 112.458 110.908 1.550 18916 5199 1 11 . 1 1 93 93 THR HA H 93 4.489 4.489 4.109 0.380 18916 5200 1 11 . 1 1 93 93 THR C C 93 173.851 173.851 175.414 -1.563 18916 5201 1 11 . 1 1 93 93 THR CA C 93 61.318 61.318 63.580 -2.262 18916 5202 1 11 . 1 1 93 93 THR CB C 93 69.853 69.853 68.960 0.893 18916 5203 1 11 . 1 1 93 93 THR H H 93 8.252 8.252 7.618 0.634 18916 5204 1 12 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.421 -0.639 18916 5205 1 12 . 1 1 4 4 GLN CA C 4 56.878 56.878 56.052 0.826 18916 5206 1 12 . 1 1 4 4 GLN CB C 4 29.441 29.441 27.784 1.657 18916 5207 1 12 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.670 -0.116 18916 5208 1 12 . 1 1 7 7 LYS C C 7 178.298 178.298 176.865 1.433 18916 5209 1 12 . 1 1 7 7 LYS CA C 7 54.750 54.750 55.984 -1.234 18916 5210 1 12 . 1 1 7 7 LYS CB C 7 32.593 32.593 30.875 1.718 18916 5211 1 12 . 1 1 8 8 ILE N N 8 119.676 119.676 121.784 -2.108 18916 5212 1 12 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.568 0.016 18916 5213 1 12 . 1 1 8 8 ILE C C 8 177.164 177.164 176.638 0.526 18916 5214 1 12 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.664 1.248 18916 5215 1 12 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.649 1.325 18916 5216 1 12 . 1 1 8 8 ILE H H 8 7.633 7.633 7.676 -0.043 18916 5217 1 12 . 1 1 9 9 PHE N N 9 113.639 113.639 114.261 -0.622 18916 5218 1 12 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.791 0.121 18916 5219 1 12 . 1 1 9 9 PHE C C 9 174.520 174.520 176.823 -2.303 18916 5220 1 12 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.377 0.662 18916 5221 1 12 . 1 1 9 9 PHE CB C 9 37.714 37.714 37.456 0.258 18916 5222 1 12 . 1 1 9 9 PHE H H 9 8.403 8.403 7.709 0.694 18916 5223 1 12 . 1 1 10 10 LYS N N 10 120.104 120.104 122.153 -2.049 18916 5224 1 12 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.217 -0.074 18916 5225 1 12 . 1 1 10 10 LYS C C 10 177.600 177.600 177.416 0.184 18916 5226 1 12 . 1 1 10 10 LYS CA C 10 58.508 58.508 59.692 -1.184 18916 5227 1 12 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.338 0.102 18916 5228 1 12 . 1 1 10 10 LYS H H 10 7.328 7.328 7.711 -0.383 18916 5229 1 12 . 1 1 11 11 ASN N N 11 116.960 116.960 113.567 3.393 18916 5230 1 12 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.993 -0.448 18916 5231 1 12 . 1 1 11 11 ASN C C 11 175.566 175.566 174.742 0.824 18916 5232 1 12 . 1 1 11 11 ASN CA C 11 55.479 55.479 53.521 1.958 18916 5233 1 12 . 1 1 11 11 ASN CB C 11 37.528 37.528 39.095 -1.567 18916 5234 1 12 . 1 1 11 11 ASN H H 11 8.984 8.984 8.592 0.392 18916 5235 1 12 . 1 1 12 12 CYS N N 12 118.344 118.344 120.977 -2.633 18916 5236 1 12 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.768 0.358 18916 5237 1 12 . 1 1 12 12 CYS C C 12 175.014 175.014 173.825 1.189 18916 5238 1 12 . 1 1 12 12 CYS CA C 12 59.549 59.549 59.259 0.290 18916 5239 1 12 . 1 1 12 12 CYS CB C 12 29.319 29.319 29.109 0.210 18916 5240 1 12 . 1 1 12 12 CYS H H 12 8.460 8.460 7.916 0.544 18916 5241 1 12 . 1 1 13 13 VAL N N 13 128.765 128.765 126.960 1.805 18916 5242 1 12 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.845 -0.456 18916 5243 1 12 . 1 1 13 13 VAL C C 13 174.912 174.912 175.188 -0.276 18916 5244 1 12 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.721 0.573 18916 5245 1 12 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.455 1.013 18916 5246 1 12 . 1 1 13 13 VAL H H 13 9.878 9.878 8.400 1.478 18916 5247 1 12 . 1 1 14 14 ILE N N 14 128.270 128.270 128.096 0.174 18916 5248 1 12 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.000 0.201 18916 5249 1 12 . 1 1 14 14 ILE C C 14 174.098 174.098 174.591 -0.493 18916 5250 1 12 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.647 0.658 18916 5251 1 12 . 1 1 14 14 ILE CB C 14 41.544 41.544 41.067 0.477 18916 5252 1 12 . 1 1 14 14 ILE H H 14 8.841 8.841 8.720 0.121 18916 5253 1 12 . 1 1 15 15 TYR N N 15 125.475 125.475 128.726 -3.251 18916 5254 1 12 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.049 0.060 18916 5255 1 12 . 1 1 15 15 TYR C C 15 173.023 173.023 174.004 -0.981 18916 5256 1 12 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.678 0.208 18916 5257 1 12 . 1 1 15 15 TYR CB C 15 42.813 42.813 40.371 2.442 18916 5258 1 12 . 1 1 15 15 TYR H H 15 8.023 8.023 9.128 -1.105 18916 5259 1 12 . 1 1 16 16 ILE N N 16 128.262 128.262 129.461 -1.199 18916 5260 1 12 . 1 1 16 16 ILE HA H 16 4.367 4.367 3.984 0.383 18916 5261 1 12 . 1 1 16 16 ILE C C 16 173.895 173.895 174.629 -0.734 18916 5262 1 12 . 1 1 16 16 ILE CA C 16 59.688 59.688 61.600 -1.912 18916 5263 1 12 . 1 1 16 16 ILE CB C 16 36.912 36.912 38.017 -1.105 18916 5264 1 12 . 1 1 16 16 ILE H H 16 8.708 8.708 8.440 0.268 18916 5265 1 12 . 1 1 17 17 ASN N N 17 126.842 126.842 125.502 1.340 18916 5266 1 12 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.588 0.073 18916 5267 1 12 . 1 1 17 17 ASN C C 17 174.171 174.171 174.496 -0.325 18916 5268 1 12 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.803 1.084 18916 5269 1 12 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.123 1.821 18916 5270 1 12 . 1 1 17 17 ASN H H 17 8.974 8.974 8.381 0.593 18916 5271 1 12 . 1 1 18 18 GLY N N 18 113.508 113.508 112.954 0.554 18916 5272 1 12 . 1 1 18 18 GLY C C 18 172.529 172.529 173.372 -0.843 18916 5273 1 12 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.642 0.543 18916 5274 1 12 . 1 1 18 18 GLY H H 18 8.727 8.727 8.026 0.701 18916 5275 1 12 . 1 1 19 19 TYR N N 19 121.021 121.021 121.648 -0.627 18916 5276 1 12 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.457 -0.007 18916 5277 1 12 . 1 1 19 19 TYR C C 19 176.147 176.147 175.378 0.769 18916 5278 1 12 . 1 1 19 19 TYR CA C 19 58.982 58.982 58.291 0.691 18916 5279 1 12 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.505 0.195 18916 5280 1 12 . 1 1 19 19 TYR H H 19 8.651 8.651 8.224 0.427 18916 5281 1 12 . 1 1 20 20 THR N N 20 117.677 117.677 116.255 1.422 18916 5282 1 12 . 1 1 20 20 THR HA H 20 4.279 4.279 4.605 -0.326 18916 5283 1 12 . 1 1 20 20 THR C C 20 171.803 171.803 173.684 -1.881 18916 5284 1 12 . 1 1 20 20 THR CA C 20 59.986 59.986 60.399 -0.413 18916 5285 1 12 . 1 1 20 20 THR CB C 20 73.362 73.362 70.704 2.658 18916 5286 1 12 . 1 1 20 20 THR H H 20 7.242 7.242 8.131 -0.889 18916 5287 1 12 . 1 1 21 21 LYS N N 21 120.592 120.592 124.392 -3.800 18916 5288 1 12 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.680 -0.633 18916 5289 1 12 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.874 1.156 18916 5290 1 12 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.550 2.276 18916 5291 1 12 . 1 1 21 21 LYS H H 21 7.718 7.718 8.489 -0.771 18916 5292 1 12 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.444 0.146 18916 5293 1 12 . 1 1 22 22 PRO C C 22 175.043 175.043 176.850 -1.807 18916 5294 1 12 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.406 0.542 18916 5295 1 12 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.522 2.018 18916 5296 1 12 . 1 1 23 23 GLY N N 23 105.352 105.352 106.512 -1.160 18916 5297 1 12 . 1 1 23 23 GLY C C 23 172.762 172.762 175.788 -3.026 18916 5298 1 12 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.681 0.199 18916 5299 1 12 . 1 1 23 23 GLY H H 23 8.356 8.356 8.351 0.005 18916 5300 1 12 . 1 1 24 24 ARG N N 24 119.274 119.274 121.904 -2.630 18916 5301 1 12 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.613 -0.338 18916 5302 1 12 . 1 1 24 24 ARG C C 24 176.263 176.263 177.976 -1.713 18916 5303 1 12 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.697 1.223 18916 5304 1 12 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.604 0.727 18916 5305 1 12 . 1 1 24 24 ARG H H 24 7.813 7.813 8.722 -0.909 18916 5306 1 12 . 1 1 25 25 LEU N N 25 116.403 116.403 115.749 0.654 18916 5307 1 12 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.248 -0.558 18916 5308 1 12 . 1 1 25 25 LEU C C 25 179.562 179.562 178.876 0.686 18916 5309 1 12 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.339 1.052 18916 5310 1 12 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.708 0.136 18916 5311 1 12 . 1 1 25 25 LEU H H 25 8.156 8.156 7.949 0.207 18916 5312 1 12 . 1 1 26 26 GLN N N 26 118.294 118.294 118.945 -0.651 18916 5313 1 12 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.256 -0.290 18916 5314 1 12 . 1 1 26 26 GLN C C 26 179.358 179.358 178.553 0.805 18916 5315 1 12 . 1 1 26 26 GLN CA C 26 59.322 59.322 57.872 1.450 18916 5316 1 12 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.389 -0.332 18916 5317 1 12 . 1 1 26 26 GLN H H 26 7.423 7.423 7.566 -0.143 18916 5318 1 12 . 1 1 27 27 LEU N N 27 119.419 119.419 120.146 -0.727 18916 5319 1 12 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.658 0.270 18916 5320 1 12 . 1 1 27 27 LEU C C 27 178.777 178.777 178.862 -0.085 18916 5321 1 12 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.457 -0.433 18916 5322 1 12 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.543 0.347 18916 5323 1 12 . 1 1 27 27 LEU H H 27 8.127 8.127 7.748 0.379 18916 5324 1 12 . 1 1 28 28 HIS N N 28 118.332 118.332 117.254 1.078 18916 5325 1 12 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.834 -0.092 18916 5326 1 12 . 1 1 28 28 HIS C C 28 177.121 177.121 177.960 -0.839 18916 5327 1 12 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.401 -1.603 18916 5328 1 12 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.073 0.368 18916 5329 1 12 . 1 1 28 28 HIS H H 28 8.727 8.727 7.827 0.900 18916 5330 1 12 . 1 1 29 29 GLU N N 29 116.699 116.699 119.648 -2.949 18916 5331 1 12 . 1 1 29 29 GLU HA H 29 3.978 3.978 4.058 -0.080 18916 5332 1 12 . 1 1 29 29 GLU C C 29 178.951 178.951 179.044 -0.093 18916 5333 1 12 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.184 0.092 18916 5334 1 12 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.665 0.019 18916 5335 1 12 . 1 1 29 29 GLU H H 29 7.518 7.518 7.754 -0.236 18916 5336 1 12 . 1 1 30 30 MET N N 30 118.090 118.090 118.381 -0.291 18916 5337 1 12 . 1 1 30 30 MET HA H 30 4.055 4.055 4.293 -0.238 18916 5338 1 12 . 1 1 30 30 MET C C 30 177.992 177.992 178.953 -0.961 18916 5339 1 12 . 1 1 30 30 MET CA C 30 60.040 60.040 57.427 2.613 18916 5340 1 12 . 1 1 30 30 MET CB C 30 34.522 34.522 31.686 2.836 18916 5341 1 12 . 1 1 30 30 MET H H 30 7.766 7.766 7.958 -0.192 18916 5342 1 12 . 1 1 31 31 ILE N N 31 118.458 118.458 120.328 -1.870 18916 5343 1 12 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.080 0.172 18916 5344 1 12 . 1 1 31 31 ILE C C 31 178.007 178.007 178.477 -0.470 18916 5345 1 12 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.609 -0.718 18916 5346 1 12 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.271 0.911 18916 5347 1 12 . 1 1 31 31 ILE H H 31 8.337 8.337 8.012 0.325 18916 5348 1 12 . 1 1 32 32 VAL N N 32 117.878 117.878 120.389 -2.511 18916 5349 1 12 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.131 -0.128 18916 5350 1 12 . 1 1 32 32 VAL C C 32 180.884 180.884 179.106 1.778 18916 5351 1 12 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.948 -0.572 18916 5352 1 12 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.933 0.064 18916 5353 1 12 . 1 1 32 32 VAL H H 32 7.888 7.888 7.629 0.259 18916 5354 1 12 . 1 1 33 33 LEU N N 33 123.609 123.609 118.565 5.044 18916 5355 1 12 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.084 -0.011 18916 5356 1 12 . 1 1 33 33 LEU C C 33 177.498 177.498 177.541 -0.043 18916 5357 1 12 . 1 1 33 33 LEU CA C 33 57.662 57.662 57.156 0.506 18916 5358 1 12 . 1 1 33 33 LEU CB C 33 42.290 42.290 41.076 1.214 18916 5359 1 12 . 1 1 33 33 LEU H H 33 8.281 8.281 8.279 0.002 18916 5360 1 12 . 1 1 34 34 HIS N N 34 113.272 113.272 114.596 -1.324 18916 5361 1 12 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.907 -0.192 18916 5362 1 12 . 1 1 34 34 HIS C C 34 175.464 175.464 175.681 -0.217 18916 5363 1 12 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.300 1.096 18916 5364 1 12 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.729 0.039 18916 5365 1 12 . 1 1 34 34 HIS H H 34 7.319 7.319 7.527 -0.208 18916 5366 1 12 . 1 1 35 35 GLY N N 35 104.307 104.307 106.678 -2.371 18916 5367 1 12 . 1 1 35 35 GLY C C 35 174.985 174.985 174.576 0.409 18916 5368 1 12 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.498 1.816 18916 5369 1 12 . 1 1 35 35 GLY H H 35 7.392 7.392 8.021 -0.629 18916 5370 1 12 . 1 1 36 36 GLY N N 36 108.630 108.630 107.510 1.120 18916 5371 1 12 . 1 1 36 36 GLY C C 36 171.701 171.701 172.438 -0.737 18916 5372 1 12 . 1 1 36 36 GLY CA C 36 44.392 44.392 43.448 0.944 18916 5373 1 12 . 1 1 36 36 GLY H H 36 8.763 8.763 8.138 0.625 18916 5374 1 12 . 1 1 37 37 LYS N N 37 115.119 115.119 119.995 -4.876 18916 5375 1 12 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.816 -0.202 18916 5376 1 12 . 1 1 37 37 LYS C C 37 174.302 174.302 174.868 -0.566 18916 5377 1 12 . 1 1 37 37 LYS CA C 37 54.319 54.319 54.769 -0.450 18916 5378 1 12 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.258 0.992 18916 5379 1 12 . 1 1 37 37 LYS H H 37 7.406 7.406 8.046 -0.640 18916 5380 1 12 . 1 1 38 38 PHE N N 38 117.196 117.196 118.928 -1.732 18916 5381 1 12 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.603 0.285 18916 5382 1 12 . 1 1 38 38 PHE C C 38 173.604 173.604 174.035 -0.431 18916 5383 1 12 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.200 -0.347 18916 5384 1 12 . 1 1 38 38 PHE CB C 38 43.379 43.379 41.690 1.689 18916 5385 1 12 . 1 1 38 38 PHE H H 38 7.844 7.844 8.065 -0.221 18916 5386 1 12 . 1 1 39 39 LEU N N 39 119.576 119.576 122.726 -3.150 18916 5387 1 12 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.853 -0.249 18916 5388 1 12 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.547 -0.886 18916 5389 1 12 . 1 1 39 39 LEU CB C 39 45.901 45.901 45.077 0.824 18916 5390 1 12 . 1 1 39 39 LEU H H 39 8.223 8.223 8.692 -0.469 18916 5391 1 12 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.444 0.195 18916 5392 1 12 . 1 1 40 40 HIS C C 40 174.694 174.694 174.299 0.395 18916 5393 1 12 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.959 0.711 18916 5394 1 12 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.355 1.535 18916 5395 1 12 . 1 1 41 41 TYR N N 41 115.005 115.005 117.388 -2.383 18916 5396 1 12 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.402 0.258 18916 5397 1 12 . 1 1 41 41 TYR C C 41 173.023 173.023 172.716 0.307 18916 5398 1 12 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.759 -1.861 18916 5399 1 12 . 1 1 41 41 TYR CB C 41 40.313 40.313 39.558 0.755 18916 5400 1 12 . 1 1 41 41 TYR H H 41 7.363 7.363 7.200 0.163 18916 5401 1 12 . 1 1 42 42 LEU N N 42 121.687 121.687 124.066 -2.379 18916 5402 1 12 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.419 -0.531 18916 5403 1 12 . 1 1 42 42 LEU CA C 42 54.041 54.041 54.384 -0.343 18916 5404 1 12 . 1 1 42 42 LEU CB C 42 41.096 41.096 44.650 -3.554 18916 5405 1 12 . 1 1 42 42 LEU H H 42 8.252 8.252 7.097 1.155 18916 5406 1 12 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.717 -0.483 18916 5407 1 12 . 1 1 46 46 LYS CA C 46 56.885 56.885 56.537 0.348 18916 5408 1 12 . 1 1 46 46 LYS CB C 46 32.542 32.542 31.120 1.422 18916 5409 1 12 . 1 1 47 47 THR HA H 47 4.168 4.168 4.390 -0.222 18916 5410 1 12 . 1 1 47 47 THR C C 47 174.186 174.186 173.978 0.208 18916 5411 1 12 . 1 1 47 47 THR CA C 47 62.706 62.706 62.823 -0.117 18916 5412 1 12 . 1 1 47 47 THR CB C 47 69.762 69.762 69.614 0.148 18916 5413 1 12 . 1 1 48 48 VAL N N 48 123.218 123.218 121.211 2.007 18916 5414 1 12 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.148 -0.305 18916 5415 1 12 . 1 1 48 48 VAL C C 48 174.985 174.985 176.281 -1.296 18916 5416 1 12 . 1 1 48 48 VAL CA C 48 62.146 62.146 61.422 0.724 18916 5417 1 12 . 1 1 48 48 VAL CB C 48 33.167 33.167 33.633 -0.466 18916 5418 1 12 . 1 1 48 48 VAL H H 48 7.771 7.771 7.646 0.125 18916 5419 1 12 . 1 1 49 49 THR N N 49 116.982 116.982 117.438 -0.456 18916 5420 1 12 . 1 1 49 49 THR HA H 49 4.319 4.319 4.281 0.038 18916 5421 1 12 . 1 1 49 49 THR C C 49 176.118 176.118 174.135 1.983 18916 5422 1 12 . 1 1 49 49 THR CA C 49 62.831 62.831 62.529 0.302 18916 5423 1 12 . 1 1 49 49 THR CB C 49 69.114 69.114 69.942 -0.828 18916 5424 1 12 . 1 1 49 49 THR H H 49 9.798 9.798 8.313 1.485 18916 5425 1 12 . 1 1 50 50 HIS N N 50 121.799 121.799 119.931 1.868 18916 5426 1 12 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.189 -0.273 18916 5427 1 12 . 1 1 50 50 HIS C C 50 172.849 172.849 173.156 -0.307 18916 5428 1 12 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.863 1.791 18916 5429 1 12 . 1 1 50 50 HIS CB C 50 34.649 34.649 32.956 1.693 18916 5430 1 12 . 1 1 50 50 HIS H H 50 7.596 7.596 7.979 -0.383 18916 5431 1 12 . 1 1 51 51 ILE N N 51 123.013 123.013 125.075 -2.062 18916 5432 1 12 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.664 0.316 18916 5433 1 12 . 1 1 51 51 ILE C C 51 174.505 174.505 174.923 -0.418 18916 5434 1 12 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.386 -1.419 18916 5435 1 12 . 1 1 51 51 ILE CB C 51 39.153 39.153 39.141 0.012 18916 5436 1 12 . 1 1 51 51 ILE H H 51 8.996 8.996 8.154 0.842 18916 5437 1 12 . 1 1 52 52 VAL N N 52 127.413 127.413 128.681 -1.268 18916 5438 1 12 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.915 0.387 18916 5439 1 12 . 1 1 52 52 VAL C C 52 174.084 174.084 174.883 -0.799 18916 5440 1 12 . 1 1 52 52 VAL CA C 52 59.207 59.207 61.080 -1.873 18916 5441 1 12 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.126 1.133 18916 5442 1 12 . 1 1 52 52 VAL H H 52 8.821 8.821 8.439 0.382 18916 5443 1 12 . 1 1 53 53 ALA N N 53 127.601 127.601 128.582 -0.981 18916 5444 1 12 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.292 -0.670 18916 5445 1 12 . 1 1 53 53 ALA C C 53 174.680 174.680 176.393 -1.713 18916 5446 1 12 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.963 -0.053 18916 5447 1 12 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.605 0.555 18916 5448 1 12 . 1 1 53 53 ALA H H 53 8.967 8.967 8.276 0.691 18916 5449 1 12 . 1 1 54 54 SER N N 54 113.005 113.005 116.756 -3.751 18916 5450 1 12 . 1 1 54 54 SER HA H 54 4.657 4.657 4.430 0.227 18916 5451 1 12 . 1 1 54 54 SER C C 54 174.229 174.229 174.123 0.106 18916 5452 1 12 . 1 1 54 54 SER CA C 54 59.671 59.671 60.147 -0.476 18916 5453 1 12 . 1 1 54 54 SER CB C 54 64.852 64.852 63.773 1.079 18916 5454 1 12 . 1 1 54 54 SER H H 54 9.303 9.303 8.885 0.418 18916 5455 1 12 . 1 1 55 55 ASN N N 55 117.475 117.475 119.076 -1.601 18916 5456 1 12 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.956 -0.355 18916 5457 1 12 . 1 1 55 55 ASN C C 55 173.052 173.052 173.433 -0.381 18916 5458 1 12 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.767 0.358 18916 5459 1 12 . 1 1 55 55 ASN CB C 55 40.610 40.610 39.990 0.620 18916 5460 1 12 . 1 1 55 55 ASN H H 55 7.917 7.917 8.369 -0.452 18916 5461 1 12 . 1 1 56 56 LEU N N 56 122.146 122.146 125.924 -3.778 18916 5462 1 12 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.669 0.131 18916 5463 1 12 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.593 0.312 18916 5464 1 12 . 1 1 56 56 LEU CB C 56 44.592 44.592 42.464 2.128 18916 5465 1 12 . 1 1 56 56 LEU H H 56 8.792 8.792 8.420 0.372 18916 5466 1 12 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.483 0.082 18916 5467 1 12 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.921 -0.731 18916 5468 1 12 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.583 -0.084 18916 5469 1 12 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.913 0.007 18916 5470 1 12 . 1 1 58 58 LEU C C 58 178.806 178.806 178.673 0.133 18916 5471 1 12 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.489 0.683 18916 5472 1 12 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.624 -0.035 18916 5473 1 12 . 1 1 59 59 LYS N N 59 115.039 115.039 118.021 -2.982 18916 5474 1 12 . 1 1 59 59 LYS HA H 59 3.972 3.972 3.968 0.004 18916 5475 1 12 . 1 1 59 59 LYS C C 59 179.053 179.053 179.128 -0.075 18916 5476 1 12 . 1 1 59 59 LYS CA C 59 59.524 59.524 59.070 0.454 18916 5477 1 12 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.465 0.946 18916 5478 1 12 . 1 1 59 59 LYS H H 59 8.763 8.763 8.549 0.214 18916 5479 1 12 . 1 1 60 60 LYS N N 60 116.433 116.433 118.005 -1.572 18916 5480 1 12 . 1 1 60 60 LYS HA H 60 3.960 3.960 4.121 -0.161 18916 5481 1 12 . 1 1 60 60 LYS C C 60 176.874 176.874 179.295 -2.421 18916 5482 1 12 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.369 -2.648 18916 5483 1 12 . 1 1 60 60 LYS CB C 60 31.933 31.933 32.038 -0.105 18916 5484 1 12 . 1 1 60 60 LYS H H 60 7.158 7.158 7.658 -0.500 18916 5485 1 12 . 1 1 61 61 ARG N N 61 120.369 120.369 119.207 1.162 18916 5486 1 12 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.187 -0.363 18916 5487 1 12 . 1 1 61 61 ARG C C 61 179.213 179.213 177.653 1.560 18916 5488 1 12 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.133 0.680 18916 5489 1 12 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.052 -0.182 18916 5490 1 12 . 1 1 61 61 ARG H H 61 7.902 7.902 7.866 0.036 18916 5491 1 12 . 1 1 62 62 ILE N N 62 117.956 117.956 117.451 0.505 18916 5492 1 12 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.795 0.013 18916 5493 1 12 . 1 1 62 62 ILE C C 62 178.966 178.966 178.546 0.420 18916 5494 1 12 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.258 -0.096 18916 5495 1 12 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.786 0.233 18916 5496 1 12 . 1 1 62 62 ILE H H 62 7.727 7.727 7.290 0.437 18916 5497 1 12 . 1 1 63 63 GLU N N 63 121.877 121.877 120.500 1.377 18916 5498 1 12 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.067 -0.117 18916 5499 1 12 . 1 1 63 63 GLU C C 63 178.792 178.792 178.564 0.228 18916 5500 1 12 . 1 1 63 63 GLU CA C 63 59.302 59.302 59.240 0.062 18916 5501 1 12 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.389 0.433 18916 5502 1 12 . 1 1 63 63 GLU H H 63 7.713 7.713 7.742 -0.029 18916 5503 1 12 . 1 1 64 64 PHE N N 64 115.684 115.684 116.516 -0.832 18916 5504 1 12 . 1 1 64 64 PHE HA H 64 5.078 5.078 5.024 0.054 18916 5505 1 12 . 1 1 64 64 PHE C C 64 175.886 175.886 176.400 -0.514 18916 5506 1 12 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.050 -1.191 18916 5507 1 12 . 1 1 64 64 PHE CB C 64 37.431 37.431 37.228 0.202 18916 5508 1 12 . 1 1 64 64 PHE H H 64 8.077 8.077 7.918 0.159 18916 5509 1 12 . 1 1 65 65 ALA N N 65 122.616 122.616 123.544 -0.928 18916 5510 1 12 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.388 -0.224 18916 5511 1 12 . 1 1 65 65 ALA C C 65 178.356 178.356 177.758 0.598 18916 5512 1 12 . 1 1 65 65 ALA CA C 65 55.421 55.421 53.725 1.696 18916 5513 1 12 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.725 0.518 18916 5514 1 12 . 1 1 65 65 ALA H H 65 7.290 7.290 7.374 -0.084 18916 5515 1 12 . 1 1 66 66 ASN N N 66 112.567 112.567 114.258 -1.691 18916 5516 1 12 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.518 0.087 18916 5517 1 12 . 1 1 66 66 ASN C C 66 174.374 174.374 174.932 -0.558 18916 5518 1 12 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.538 -1.184 18916 5519 1 12 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.637 -0.718 18916 5520 1 12 . 1 1 66 66 ASN H H 66 8.602 8.602 8.307 0.295 18916 5521 1 12 . 1 1 67 67 TYR N N 67 118.682 118.682 117.325 1.357 18916 5522 1 12 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.437 0.091 18916 5523 1 12 . 1 1 67 67 TYR C C 67 175.072 175.072 175.397 -0.325 18916 5524 1 12 . 1 1 67 67 TYR CA C 67 56.641 56.641 56.827 -0.186 18916 5525 1 12 . 1 1 67 67 TYR CB C 67 40.822 40.822 40.458 0.364 18916 5526 1 12 . 1 1 67 67 TYR H H 67 7.873 7.873 7.521 0.352 18916 5527 1 12 . 1 1 68 68 LYS N N 68 121.419 121.419 123.324 -1.905 18916 5528 1 12 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.501 -0.701 18916 5529 1 12 . 1 1 68 68 LYS C C 68 174.491 174.491 175.483 -0.992 18916 5530 1 12 . 1 1 68 68 LYS CA C 68 56.246 56.246 54.557 1.689 18916 5531 1 12 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.582 2.082 18916 5532 1 12 . 1 1 68 68 LYS H H 68 7.771 7.771 8.333 -0.562 18916 5533 1 12 . 1 1 69 69 VAL N N 69 126.113 126.113 126.607 -0.494 18916 5534 1 12 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.396 0.786 18916 5535 1 12 . 1 1 69 69 VAL C C 69 176.365 176.365 175.813 0.552 18916 5536 1 12 . 1 1 69 69 VAL CA C 69 60.879 60.879 63.236 -2.357 18916 5537 1 12 . 1 1 69 69 VAL CB C 69 32.355 32.355 31.845 0.510 18916 5538 1 12 . 1 1 69 69 VAL H H 69 8.384 8.384 8.133 0.251 18916 5539 1 12 . 1 1 70 70 VAL N N 70 120.358 120.358 122.320 -1.962 18916 5540 1 12 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.189 0.188 18916 5541 1 12 . 1 1 70 70 VAL C C 70 174.040 174.040 174.894 -0.854 18916 5542 1 12 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.669 -0.820 18916 5543 1 12 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.675 1.078 18916 5544 1 12 . 1 1 70 70 VAL H H 70 9.390 9.390 8.768 0.622 18916 5545 1 12 . 1 1 71 71 SER N N 71 114.634 114.634 116.150 -1.516 18916 5546 1 12 . 1 1 71 71 SER HA H 71 5.630 5.630 5.457 0.173 18916 5547 1 12 . 1 1 71 71 SER CA C 71 60.584 60.584 55.685 4.899 18916 5548 1 12 . 1 1 71 71 SER CB C 71 60.367 60.367 62.837 -2.470 18916 5549 1 12 . 1 1 71 71 SER H H 71 8.354 8.354 8.183 0.171 18916 5550 1 12 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.313 -0.177 18916 5551 1 12 . 1 1 72 72 PRO C C 72 177.193 177.193 177.606 -0.413 18916 5552 1 12 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.339 -0.277 18916 5553 1 12 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.841 0.498 18916 5554 1 12 . 1 1 73 73 ASP N N 73 115.868 115.868 118.057 -2.189 18916 5555 1 12 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.269 -0.067 18916 5556 1 12 . 1 1 73 73 ASP C C 73 175.450 175.450 177.570 -2.120 18916 5557 1 12 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.415 -1.989 18916 5558 1 12 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.749 -0.394 18916 5559 1 12 . 1 1 73 73 ASP H H 73 8.427 8.427 8.543 -0.116 18916 5560 1 12 . 1 1 74 74 TRP N N 74 121.252 121.252 121.343 -0.091 18916 5561 1 12 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.581 -0.963 18916 5562 1 12 . 1 1 74 74 TRP C C 74 178.472 178.472 177.378 1.094 18916 5563 1 12 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.635 -0.620 18916 5564 1 12 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.346 -0.616 18916 5565 1 12 . 1 1 74 74 TRP H H 74 7.833 7.833 7.415 0.418 18916 5566 1 12 . 1 1 75 75 ILE N N 75 116.185 116.185 119.643 -3.458 18916 5567 1 12 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.711 -0.467 18916 5568 1 12 . 1 1 75 75 ILE C C 75 176.728 176.728 178.128 -1.400 18916 5569 1 12 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.068 -1.173 18916 5570 1 12 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.823 -0.602 18916 5571 1 12 . 1 1 75 75 ILE H H 75 6.969 6.969 7.356 -0.387 18916 5572 1 12 . 1 1 76 76 VAL N N 76 117.042 117.042 119.816 -2.774 18916 5573 1 12 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.369 -0.173 18916 5574 1 12 . 1 1 76 76 VAL C C 76 178.675 178.675 177.725 0.950 18916 5575 1 12 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.259 -0.314 18916 5576 1 12 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.403 1.242 18916 5577 1 12 . 1 1 76 76 VAL H H 76 7.056 7.056 7.813 -0.757 18916 5578 1 12 . 1 1 77 77 ASP N N 77 120.009 120.009 117.835 2.174 18916 5579 1 12 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.321 -0.017 18916 5580 1 12 . 1 1 77 77 ASP C C 77 178.515 178.515 178.197 0.318 18916 5581 1 12 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.295 -0.297 18916 5582 1 12 . 1 1 77 77 ASP CB C 77 38.850 38.850 41.061 -2.211 18916 5583 1 12 . 1 1 77 77 ASP H H 77 9.171 9.171 7.916 1.255 18916 5584 1 12 . 1 1 78 78 SER N N 78 117.973 117.973 115.634 2.339 18916 5585 1 12 . 1 1 78 78 SER HA H 78 4.391 4.391 4.069 0.322 18916 5586 1 12 . 1 1 78 78 SER C C 78 175.290 175.290 176.430 -1.140 18916 5587 1 12 . 1 1 78 78 SER CA C 78 62.948 62.948 61.922 1.026 18916 5588 1 12 . 1 1 78 78 SER CB C 78 63.080 63.080 62.913 0.167 18916 5589 1 12 . 1 1 78 78 SER H H 78 7.056 7.056 7.529 -0.473 18916 5590 1 12 . 1 1 79 79 VAL N N 79 119.889 119.889 122.222 -2.333 18916 5591 1 12 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.556 -0.648 18916 5592 1 12 . 1 1 79 79 VAL C C 79 179.169 179.169 177.891 1.278 18916 5593 1 12 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.366 1.498 18916 5594 1 12 . 1 1 79 79 VAL CB C 79 30.830 30.830 30.979 -0.149 18916 5595 1 12 . 1 1 79 79 VAL H H 79 7.596 7.596 7.589 0.007 18916 5596 1 12 . 1 1 80 80 LYS N N 80 121.062 121.062 119.053 2.009 18916 5597 1 12 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.058 -0.168 18916 5598 1 12 . 1 1 80 80 LYS C C 80 178.806 178.806 178.527 0.279 18916 5599 1 12 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.882 0.897 18916 5600 1 12 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.433 -0.102 18916 5601 1 12 . 1 1 80 80 LYS H H 80 7.946 7.946 7.567 0.379 18916 5602 1 12 . 1 1 81 81 GLU N N 81 115.870 115.870 116.198 -0.328 18916 5603 1 12 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.314 -0.186 18916 5604 1 12 . 1 1 81 81 GLU C C 81 174.912 174.912 176.399 -1.487 18916 5605 1 12 . 1 1 81 81 GLU CA C 81 56.470 56.470 56.147 0.323 18916 5606 1 12 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.902 -0.289 18916 5607 1 12 . 1 1 81 81 GLU H H 81 8.063 8.063 7.808 0.255 18916 5608 1 12 . 1 1 82 82 ALA N N 82 122.380 122.380 120.573 1.807 18916 5609 1 12 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.936 -0.228 18916 5610 1 12 . 1 1 82 82 ALA C C 82 175.711 175.711 175.878 -0.167 18916 5611 1 12 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.258 -0.797 18916 5612 1 12 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.131 -0.550 18916 5613 1 12 . 1 1 82 82 ALA H H 82 7.931 7.931 7.825 0.106 18916 5614 1 12 . 1 1 83 83 ARG N N 83 115.619 115.619 115.682 -0.063 18916 5615 1 12 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.614 -0.424 18916 5616 1 12 . 1 1 83 83 ARG C C 83 172.050 172.050 174.150 -2.100 18916 5617 1 12 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.873 1.289 18916 5618 1 12 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.652 -0.297 18916 5619 1 12 . 1 1 83 83 ARG H H 83 8.165 8.165 7.689 0.476 18916 5620 1 12 . 1 1 84 84 LEU N N 84 120.648 120.648 122.540 -1.892 18916 5621 1 12 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.359 -0.643 18916 5622 1 12 . 1 1 84 84 LEU C C 84 176.917 176.917 175.462 1.455 18916 5623 1 12 . 1 1 84 84 LEU CA C 84 54.985 54.985 54.116 0.869 18916 5624 1 12 . 1 1 84 84 LEU CB C 84 41.311 41.311 42.081 -0.770 18916 5625 1 12 . 1 1 84 84 LEU H H 84 8.325 8.325 8.375 -0.050 18916 5626 1 12 . 1 1 85 85 LEU N N 85 132.955 132.955 128.699 4.256 18916 5627 1 12 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.933 -0.336 18916 5628 1 12 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.227 2.421 18916 5629 1 12 . 1 1 85 85 LEU CB C 85 40.363 40.363 43.249 -2.886 18916 5630 1 12 . 1 1 85 85 LEU H H 85 7.946 7.946 8.379 -0.433 18916 5631 1 12 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.143 0.442 18916 5632 1 12 . 1 1 86 86 PRO C C 86 178.835 178.835 177.451 1.384 18916 5633 1 12 . 1 1 86 86 PRO CA C 86 63.775 63.775 62.829 0.946 18916 5634 1 12 . 1 1 86 86 PRO CB C 86 31.549 31.549 30.970 0.579 18916 5635 1 12 . 1 1 87 87 TRP N N 87 128.323 128.323 126.718 1.605 18916 5636 1 12 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.651 -0.016 18916 5637 1 12 . 1 1 87 87 TRP C C 87 177.963 177.963 177.380 0.583 18916 5638 1 12 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.026 0.527 18916 5639 1 12 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.362 -0.401 18916 5640 1 12 . 1 1 87 87 TRP H H 87 8.369 8.369 8.062 0.307 18916 5641 1 12 . 1 1 88 88 GLN N N 88 120.928 120.928 119.355 1.573 18916 5642 1 12 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.964 -1.059 18916 5643 1 12 . 1 1 88 88 GLN C C 88 178.196 178.196 177.148 1.048 18916 5644 1 12 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.913 2.009 18916 5645 1 12 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.433 -0.973 18916 5646 1 12 . 1 1 88 88 GLN H H 88 8.354 8.354 7.969 0.385 18916 5647 1 12 . 1 1 89 89 ASN N N 89 116.452 116.452 118.507 -2.055 18916 5648 1 12 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.368 -0.069 18916 5649 1 12 . 1 1 89 89 ASN C C 89 174.752 174.752 175.859 -1.107 18916 5650 1 12 . 1 1 89 89 ASN CA C 89 54.131 54.131 55.323 -1.192 18916 5651 1 12 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.509 -1.148 18916 5652 1 12 . 1 1 89 89 ASN H H 89 7.304 7.304 7.716 -0.412 18916 5653 1 12 . 1 1 90 90 TYR N N 90 118.336 118.336 116.493 1.843 18916 5654 1 12 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.559 0.055 18916 5655 1 12 . 1 1 90 90 TYR C C 90 174.534 174.534 174.986 -0.452 18916 5656 1 12 . 1 1 90 90 TYR CA C 90 57.534 57.534 57.405 0.129 18916 5657 1 12 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.802 1.351 18916 5658 1 12 . 1 1 90 90 TYR H H 90 8.048 8.048 7.600 0.448 18916 5659 1 12 . 1 1 91 91 SER N N 91 114.053 114.053 117.834 -3.781 18916 5660 1 12 . 1 1 91 91 SER HA H 91 5.015 5.015 4.754 0.261 18916 5661 1 12 . 1 1 91 91 SER C C 91 176.205 176.205 175.676 0.529 18916 5662 1 12 . 1 1 91 91 SER CA C 91 58.037 58.037 59.111 -1.074 18916 5663 1 12 . 1 1 91 91 SER CB C 91 64.342 64.342 62.625 1.717 18916 5664 1 12 . 1 1 91 91 SER H H 91 7.012 7.012 7.696 -0.684 18916 5665 1 12 . 1 1 92 92 LEU N N 92 126.106 126.106 129.285 -3.179 18916 5666 1 12 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.185 0.420 18916 5667 1 12 . 1 1 92 92 LEU C C 92 177.687 177.687 178.423 -0.736 18916 5668 1 12 . 1 1 92 92 LEU CA C 92 55.405 55.405 57.135 -1.730 18916 5669 1 12 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.489 1.398 18916 5670 1 12 . 1 1 92 92 LEU H H 92 8.777 8.777 8.388 0.389 18916 5671 1 12 . 1 1 93 93 THR N N 93 112.458 112.458 112.136 0.322 18916 5672 1 12 . 1 1 93 93 THR HA H 93 4.489 4.489 4.175 0.314 18916 5673 1 12 . 1 1 93 93 THR C C 93 173.851 173.851 175.146 -1.295 18916 5674 1 12 . 1 1 93 93 THR CA C 93 61.318 61.318 63.259 -1.941 18916 5675 1 12 . 1 1 93 93 THR CB C 93 69.853 69.853 68.760 1.093 18916 5676 1 12 . 1 1 93 93 THR H H 93 8.252 8.252 7.770 0.482 18916 5677 1 13 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.513 -0.731 18916 5678 1 13 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.413 1.465 18916 5679 1 13 . 1 1 4 4 GLN CB C 4 29.441 29.441 29.526 -0.085 18916 5680 1 13 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.571 -0.017 18916 5681 1 13 . 1 1 7 7 LYS C C 7 178.298 178.298 177.565 0.733 18916 5682 1 13 . 1 1 7 7 LYS CA C 7 54.750 54.750 55.907 -1.157 18916 5683 1 13 . 1 1 7 7 LYS CB C 7 32.593 32.593 32.525 0.068 18916 5684 1 13 . 1 1 8 8 ILE N N 8 119.676 119.676 121.388 -1.712 18916 5685 1 13 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.630 -0.046 18916 5686 1 13 . 1 1 8 8 ILE C C 8 177.164 177.164 176.686 0.478 18916 5687 1 13 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.177 1.734 18916 5688 1 13 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.591 1.383 18916 5689 1 13 . 1 1 8 8 ILE H H 8 7.633 7.633 8.050 -0.417 18916 5690 1 13 . 1 1 9 9 PHE N N 9 113.639 113.639 113.863 -0.224 18916 5691 1 13 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.702 0.210 18916 5692 1 13 . 1 1 9 9 PHE C C 9 174.520 174.520 176.666 -2.146 18916 5693 1 13 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.527 0.512 18916 5694 1 13 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.315 -0.601 18916 5695 1 13 . 1 1 9 9 PHE H H 9 8.403 8.403 7.773 0.630 18916 5696 1 13 . 1 1 10 10 LYS N N 10 120.104 120.104 122.203 -2.099 18916 5697 1 13 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.264 -0.121 18916 5698 1 13 . 1 1 10 10 LYS C C 10 177.600 177.600 177.499 0.101 18916 5699 1 13 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.799 -0.291 18916 5700 1 13 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.256 0.184 18916 5701 1 13 . 1 1 10 10 LYS H H 10 7.328 7.328 7.698 -0.370 18916 5702 1 13 . 1 1 11 11 ASN N N 11 116.960 116.960 114.312 2.648 18916 5703 1 13 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.846 -0.301 18916 5704 1 13 . 1 1 11 11 ASN C C 11 175.566 175.566 174.679 0.887 18916 5705 1 13 . 1 1 11 11 ASN CA C 11 55.479 55.479 52.994 2.485 18916 5706 1 13 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.842 -1.314 18916 5707 1 13 . 1 1 11 11 ASN H H 11 8.984 8.984 8.600 0.384 18916 5708 1 13 . 1 1 12 12 CYS N N 12 118.344 118.344 121.705 -3.361 18916 5709 1 13 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.669 0.457 18916 5710 1 13 . 1 1 12 12 CYS C C 12 175.014 175.014 173.328 1.686 18916 5711 1 13 . 1 1 12 12 CYS CA C 12 59.549 59.549 58.433 1.116 18916 5712 1 13 . 1 1 12 12 CYS CB C 12 29.319 29.319 28.791 0.528 18916 5713 1 13 . 1 1 12 12 CYS H H 12 8.460 8.460 7.862 0.598 18916 5714 1 13 . 1 1 13 13 VAL N N 13 128.765 128.765 128.677 0.088 18916 5715 1 13 . 1 1 13 13 VAL HA H 13 4.389 4.389 5.225 -0.836 18916 5716 1 13 . 1 1 13 13 VAL C C 13 174.912 174.912 174.936 -0.024 18916 5717 1 13 . 1 1 13 13 VAL CA C 13 62.294 62.294 60.958 1.336 18916 5718 1 13 . 1 1 13 13 VAL CB C 13 33.468 33.468 33.460 0.008 18916 5719 1 13 . 1 1 13 13 VAL H H 13 9.878 9.878 8.352 1.526 18916 5720 1 13 . 1 1 14 14 ILE N N 14 128.270 128.270 126.768 1.502 18916 5721 1 13 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.122 0.078 18916 5722 1 13 . 1 1 14 14 ILE C C 14 174.098 174.098 174.862 -0.764 18916 5723 1 13 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.915 0.389 18916 5724 1 13 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.974 0.570 18916 5725 1 13 . 1 1 14 14 ILE H H 14 8.841 8.841 8.762 0.079 18916 5726 1 13 . 1 1 15 15 TYR N N 15 125.475 125.475 129.078 -3.603 18916 5727 1 13 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.399 -0.290 18916 5728 1 13 . 1 1 15 15 TYR C C 15 173.023 173.023 173.873 -0.850 18916 5729 1 13 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.441 0.445 18916 5730 1 13 . 1 1 15 15 TYR CB C 15 42.813 42.813 41.199 1.614 18916 5731 1 13 . 1 1 15 15 TYR H H 15 8.023 8.023 9.137 -1.114 18916 5732 1 13 . 1 1 16 16 ILE N N 16 128.262 128.262 129.927 -1.665 18916 5733 1 13 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.166 0.201 18916 5734 1 13 . 1 1 16 16 ILE C C 16 173.895 173.895 174.474 -0.579 18916 5735 1 13 . 1 1 16 16 ILE CA C 16 59.688 59.688 60.560 -0.872 18916 5736 1 13 . 1 1 16 16 ILE CB C 16 36.912 36.912 37.619 -0.707 18916 5737 1 13 . 1 1 16 16 ILE H H 16 8.708 8.708 8.788 -0.080 18916 5738 1 13 . 1 1 17 17 ASN N N 17 126.842 126.842 126.393 0.449 18916 5739 1 13 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.457 0.204 18916 5740 1 13 . 1 1 17 17 ASN C C 17 174.171 174.171 174.995 -0.824 18916 5741 1 13 . 1 1 17 17 ASN CA C 17 52.887 52.887 52.321 0.566 18916 5742 1 13 . 1 1 17 17 ASN CB C 17 42.944 42.944 40.178 2.765 18916 5743 1 13 . 1 1 17 17 ASN H H 17 8.974 8.974 8.076 0.898 18916 5744 1 13 . 1 1 18 18 GLY N N 18 113.508 113.508 112.667 0.841 18916 5745 1 13 . 1 1 18 18 GLY C C 18 172.529 172.529 173.444 -0.915 18916 5746 1 13 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.700 0.485 18916 5747 1 13 . 1 1 18 18 GLY H H 18 8.727 8.727 8.285 0.442 18916 5748 1 13 . 1 1 19 19 TYR N N 19 121.021 121.021 122.651 -1.630 18916 5749 1 13 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.693 -0.243 18916 5750 1 13 . 1 1 19 19 TYR C C 19 176.147 176.147 175.449 0.698 18916 5751 1 13 . 1 1 19 19 TYR CA C 19 58.982 58.982 57.752 1.230 18916 5752 1 13 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.552 0.149 18916 5753 1 13 . 1 1 19 19 TYR H H 19 8.651 8.651 8.497 0.154 18916 5754 1 13 . 1 1 20 20 THR N N 20 117.677 117.677 114.750 2.927 18916 5755 1 13 . 1 1 20 20 THR HA H 20 4.279 4.279 4.524 -0.245 18916 5756 1 13 . 1 1 20 20 THR C C 20 171.803 171.803 172.965 -1.162 18916 5757 1 13 . 1 1 20 20 THR CA C 20 59.986 59.986 60.193 -0.207 18916 5758 1 13 . 1 1 20 20 THR CB C 20 73.362 73.362 71.293 2.070 18916 5759 1 13 . 1 1 20 20 THR H H 20 7.242 7.242 8.435 -1.193 18916 5760 1 13 . 1 1 21 21 LYS N N 21 120.592 120.592 123.751 -3.159 18916 5761 1 13 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.794 -0.747 18916 5762 1 13 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.398 1.632 18916 5763 1 13 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.704 2.122 18916 5764 1 13 . 1 1 21 21 LYS H H 21 7.718 7.718 8.463 -0.745 18916 5765 1 13 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.465 0.125 18916 5766 1 13 . 1 1 22 22 PRO C C 22 175.043 175.043 176.941 -1.898 18916 5767 1 13 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.398 0.550 18916 5768 1 13 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.570 1.970 18916 5769 1 13 . 1 1 23 23 GLY N N 23 105.352 105.352 106.543 -1.191 18916 5770 1 13 . 1 1 23 23 GLY C C 23 172.762 172.762 175.949 -3.187 18916 5771 1 13 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.880 -0.000 18916 5772 1 13 . 1 1 23 23 GLY H H 23 8.356 8.356 8.546 -0.190 18916 5773 1 13 . 1 1 24 24 ARG N N 24 119.274 119.274 123.215 -3.941 18916 5774 1 13 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.692 -0.417 18916 5775 1 13 . 1 1 24 24 ARG C C 24 176.263 176.263 178.252 -1.989 18916 5776 1 13 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.780 1.140 18916 5777 1 13 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.576 0.755 18916 5778 1 13 . 1 1 24 24 ARG H H 24 7.813 7.813 8.759 -0.946 18916 5779 1 13 . 1 1 25 25 LEU N N 25 116.403 116.403 116.055 0.348 18916 5780 1 13 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.346 -0.656 18916 5781 1 13 . 1 1 25 25 LEU C C 25 179.562 179.562 178.914 0.648 18916 5782 1 13 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.537 0.854 18916 5783 1 13 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.855 -0.011 18916 5784 1 13 . 1 1 25 25 LEU H H 25 8.156 8.156 8.000 0.156 18916 5785 1 13 . 1 1 26 26 GLN N N 26 118.294 118.294 119.124 -0.830 18916 5786 1 13 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.213 -0.247 18916 5787 1 13 . 1 1 26 26 GLN C C 26 179.358 179.358 178.510 0.848 18916 5788 1 13 . 1 1 26 26 GLN CA C 26 59.322 59.322 57.940 1.382 18916 5789 1 13 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.252 -0.195 18916 5790 1 13 . 1 1 26 26 GLN H H 26 7.423 7.423 7.623 -0.200 18916 5791 1 13 . 1 1 27 27 LEU N N 27 119.419 119.419 119.596 -0.177 18916 5792 1 13 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.811 0.117 18916 5793 1 13 . 1 1 27 27 LEU C C 27 178.777 178.777 179.189 -0.412 18916 5794 1 13 . 1 1 27 27 LEU CA C 27 58.024 58.024 57.898 0.126 18916 5795 1 13 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.411 0.478 18916 5796 1 13 . 1 1 27 27 LEU H H 27 8.127 8.127 7.713 0.414 18916 5797 1 13 . 1 1 28 28 HIS N N 28 118.332 118.332 117.202 1.130 18916 5798 1 13 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.964 -0.222 18916 5799 1 13 . 1 1 28 28 HIS C C 28 177.121 177.121 177.678 -0.557 18916 5800 1 13 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.929 -2.131 18916 5801 1 13 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.503 -0.062 18916 5802 1 13 . 1 1 28 28 HIS H H 28 8.727 8.727 8.241 0.486 18916 5803 1 13 . 1 1 29 29 GLU N N 29 116.699 116.699 119.988 -3.289 18916 5804 1 13 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.963 0.015 18916 5805 1 13 . 1 1 29 29 GLU C C 29 178.951 178.951 178.873 0.078 18916 5806 1 13 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.136 0.140 18916 5807 1 13 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.540 0.144 18916 5808 1 13 . 1 1 29 29 GLU H H 29 7.518 7.518 7.743 -0.225 18916 5809 1 13 . 1 1 30 30 MET N N 30 118.090 118.090 118.660 -0.570 18916 5810 1 13 . 1 1 30 30 MET HA H 30 4.055 4.055 4.180 -0.125 18916 5811 1 13 . 1 1 30 30 MET C C 30 177.992 177.992 178.945 -0.953 18916 5812 1 13 . 1 1 30 30 MET CA C 30 60.040 60.040 59.331 0.709 18916 5813 1 13 . 1 1 30 30 MET CB C 30 34.522 34.522 32.467 2.055 18916 5814 1 13 . 1 1 30 30 MET H H 30 7.766 7.766 7.890 -0.124 18916 5815 1 13 . 1 1 31 31 ILE N N 31 118.458 118.458 119.714 -1.256 18916 5816 1 13 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.465 -0.213 18916 5817 1 13 . 1 1 31 31 ILE C C 31 178.007 178.007 177.903 0.104 18916 5818 1 13 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.265 -0.374 18916 5819 1 13 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.493 0.689 18916 5820 1 13 . 1 1 31 31 ILE H H 31 8.337 8.337 7.704 0.633 18916 5821 1 13 . 1 1 32 32 VAL N N 32 117.878 117.878 120.429 -2.551 18916 5822 1 13 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.115 -0.112 18916 5823 1 13 . 1 1 32 32 VAL C C 32 180.884 180.884 178.874 2.010 18916 5824 1 13 . 1 1 32 32 VAL CA C 32 65.376 65.376 66.571 -1.195 18916 5825 1 13 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.713 0.284 18916 5826 1 13 . 1 1 32 32 VAL H H 32 7.888 7.888 7.748 0.140 18916 5827 1 13 . 1 1 33 33 LEU N N 33 123.609 123.609 118.022 5.587 18916 5828 1 13 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.040 0.033 18916 5829 1 13 . 1 1 33 33 LEU C C 33 177.498 177.498 177.393 0.105 18916 5830 1 13 . 1 1 33 33 LEU CA C 33 57.662 57.662 57.076 0.586 18916 5831 1 13 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.832 1.458 18916 5832 1 13 . 1 1 33 33 LEU H H 33 8.281 8.281 7.772 0.509 18916 5833 1 13 . 1 1 34 34 HIS N N 34 113.272 113.272 114.080 -0.808 18916 5834 1 13 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.922 -0.207 18916 5835 1 13 . 1 1 34 34 HIS C C 34 175.464 175.464 175.863 -0.399 18916 5836 1 13 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.397 0.999 18916 5837 1 13 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.656 0.112 18916 5838 1 13 . 1 1 34 34 HIS H H 34 7.319 7.319 7.589 -0.270 18916 5839 1 13 . 1 1 35 35 GLY N N 35 104.307 104.307 106.858 -2.551 18916 5840 1 13 . 1 1 35 35 GLY C C 35 174.985 174.985 175.302 -0.317 18916 5841 1 13 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.383 1.931 18916 5842 1 13 . 1 1 35 35 GLY H H 35 7.392 7.392 7.978 -0.586 18916 5843 1 13 . 1 1 36 36 GLY N N 36 108.630 108.630 109.109 -0.479 18916 5844 1 13 . 1 1 36 36 GLY C C 36 171.701 171.701 173.024 -1.323 18916 5845 1 13 . 1 1 36 36 GLY CA C 36 44.392 44.392 44.493 -0.101 18916 5846 1 13 . 1 1 36 36 GLY H H 36 8.763 8.763 8.266 0.497 18916 5847 1 13 . 1 1 37 37 LYS N N 37 115.119 115.119 121.849 -6.730 18916 5848 1 13 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.937 -0.323 18916 5849 1 13 . 1 1 37 37 LYS C C 37 174.302 174.302 175.043 -0.741 18916 5850 1 13 . 1 1 37 37 LYS CA C 37 54.319 54.319 53.808 0.511 18916 5851 1 13 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.109 1.141 18916 5852 1 13 . 1 1 37 37 LYS H H 37 7.406 7.406 8.028 -0.622 18916 5853 1 13 . 1 1 38 38 PHE N N 38 117.196 117.196 120.454 -3.258 18916 5854 1 13 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.589 0.299 18916 5855 1 13 . 1 1 38 38 PHE C C 38 173.604 173.604 174.113 -0.509 18916 5856 1 13 . 1 1 38 38 PHE CA C 38 54.852 54.852 54.902 -0.050 18916 5857 1 13 . 1 1 38 38 PHE CB C 38 43.379 43.379 41.903 1.476 18916 5858 1 13 . 1 1 38 38 PHE H H 38 7.844 7.844 8.257 -0.413 18916 5859 1 13 . 1 1 39 39 LEU N N 39 119.576 119.576 122.854 -3.278 18916 5860 1 13 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.748 -0.144 18916 5861 1 13 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.463 -0.802 18916 5862 1 13 . 1 1 39 39 LEU CB C 39 45.901 45.901 44.681 1.220 18916 5863 1 13 . 1 1 39 39 LEU H H 39 8.223 8.223 8.569 -0.346 18916 5864 1 13 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.400 0.239 18916 5865 1 13 . 1 1 40 40 HIS C C 40 174.694 174.694 174.630 0.064 18916 5866 1 13 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.765 0.905 18916 5867 1 13 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.367 1.523 18916 5868 1 13 . 1 1 41 41 TYR N N 41 115.005 115.005 113.122 1.883 18916 5869 1 13 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.034 0.626 18916 5870 1 13 . 1 1 41 41 TYR C C 41 173.023 173.023 172.991 0.032 18916 5871 1 13 . 1 1 41 41 TYR CA C 41 55.898 55.898 56.154 -0.256 18916 5872 1 13 . 1 1 41 41 TYR CB C 41 40.313 40.313 39.928 0.385 18916 5873 1 13 . 1 1 41 41 TYR H H 41 7.363 7.363 6.873 0.490 18916 5874 1 13 . 1 1 42 42 LEU N N 42 121.687 121.687 121.734 -0.047 18916 5875 1 13 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.404 -0.516 18916 5876 1 13 . 1 1 42 42 LEU CA C 42 54.041 54.041 54.364 -0.323 18916 5877 1 13 . 1 1 42 42 LEU CB C 42 41.096 41.096 43.404 -2.308 18916 5878 1 13 . 1 1 42 42 LEU H H 42 8.252 8.252 8.140 0.112 18916 5879 1 13 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.654 -0.420 18916 5880 1 13 . 1 1 46 46 LYS CA C 46 56.885 56.885 55.664 1.221 18916 5881 1 13 . 1 1 46 46 LYS CB C 46 32.542 32.542 29.812 2.730 18916 5882 1 13 . 1 1 47 47 THR HA H 47 4.168 4.168 4.221 -0.053 18916 5883 1 13 . 1 1 47 47 THR C C 47 174.186 174.186 174.118 0.068 18916 5884 1 13 . 1 1 47 47 THR CA C 47 62.706 62.706 63.658 -0.952 18916 5885 1 13 . 1 1 47 47 THR CB C 47 69.762 69.762 69.352 0.410 18916 5886 1 13 . 1 1 48 48 VAL N N 48 123.218 123.218 120.643 2.575 18916 5887 1 13 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.494 -0.651 18916 5888 1 13 . 1 1 48 48 VAL C C 48 174.985 174.985 175.258 -0.273 18916 5889 1 13 . 1 1 48 48 VAL CA C 48 62.146 62.146 59.741 2.405 18916 5890 1 13 . 1 1 48 48 VAL CB C 48 33.167 33.167 33.858 -0.691 18916 5891 1 13 . 1 1 48 48 VAL H H 48 7.771 7.771 7.355 0.416 18916 5892 1 13 . 1 1 49 49 THR N N 49 116.982 116.982 114.518 2.464 18916 5893 1 13 . 1 1 49 49 THR HA H 49 4.319 4.319 4.414 -0.095 18916 5894 1 13 . 1 1 49 49 THR C C 49 176.118 176.118 174.425 1.693 18916 5895 1 13 . 1 1 49 49 THR CA C 49 62.831 62.831 61.931 0.901 18916 5896 1 13 . 1 1 49 49 THR CB C 49 69.114 69.114 70.103 -0.989 18916 5897 1 13 . 1 1 49 49 THR H H 49 9.798 9.798 8.354 1.444 18916 5898 1 13 . 1 1 50 50 HIS N N 50 121.799 121.799 120.514 1.285 18916 5899 1 13 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.389 -0.473 18916 5900 1 13 . 1 1 50 50 HIS C C 50 172.849 172.849 173.367 -0.518 18916 5901 1 13 . 1 1 50 50 HIS CA C 50 56.654 56.654 55.075 1.579 18916 5902 1 13 . 1 1 50 50 HIS CB C 50 34.649 34.649 33.278 1.371 18916 5903 1 13 . 1 1 50 50 HIS H H 50 7.596 7.596 8.225 -0.629 18916 5904 1 13 . 1 1 51 51 ILE N N 51 123.013 123.013 124.273 -1.260 18916 5905 1 13 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.877 0.103 18916 5906 1 13 . 1 1 51 51 ILE C C 51 174.505 174.505 175.123 -0.618 18916 5907 1 13 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.236 -1.269 18916 5908 1 13 . 1 1 51 51 ILE CB C 51 39.153 39.153 40.093 -0.940 18916 5909 1 13 . 1 1 51 51 ILE H H 51 8.996 8.996 8.427 0.569 18916 5910 1 13 . 1 1 52 52 VAL N N 52 127.413 127.413 129.112 -1.699 18916 5911 1 13 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.688 0.614 18916 5912 1 13 . 1 1 52 52 VAL C C 52 174.084 174.084 174.456 -0.372 18916 5913 1 13 . 1 1 52 52 VAL CA C 52 59.207 59.207 61.507 -2.300 18916 5914 1 13 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.410 0.849 18916 5915 1 13 . 1 1 52 52 VAL H H 52 8.821 8.821 8.544 0.277 18916 5916 1 13 . 1 1 53 53 ALA N N 53 127.601 127.601 129.806 -2.205 18916 5917 1 13 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.010 -0.388 18916 5918 1 13 . 1 1 53 53 ALA C C 53 174.680 174.680 175.762 -1.082 18916 5919 1 13 . 1 1 53 53 ALA CA C 53 50.910 50.910 51.242 -0.333 18916 5920 1 13 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.762 0.399 18916 5921 1 13 . 1 1 53 53 ALA H H 53 8.967 8.967 8.104 0.863 18916 5922 1 13 . 1 1 54 54 SER N N 54 113.005 113.005 117.424 -4.419 18916 5923 1 13 . 1 1 54 54 SER HA H 54 4.657 4.657 4.439 0.218 18916 5924 1 13 . 1 1 54 54 SER C C 54 174.229 174.229 174.769 -0.540 18916 5925 1 13 . 1 1 54 54 SER CA C 54 59.671 59.671 59.156 0.515 18916 5926 1 13 . 1 1 54 54 SER CB C 54 64.852 64.852 64.012 0.840 18916 5927 1 13 . 1 1 54 54 SER H H 54 9.303 9.303 8.636 0.667 18916 5928 1 13 . 1 1 55 55 ASN N N 55 117.475 117.475 120.227 -2.752 18916 5929 1 13 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.923 -0.322 18916 5930 1 13 . 1 1 55 55 ASN C C 55 173.052 173.052 173.255 -0.203 18916 5931 1 13 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.601 0.524 18916 5932 1 13 . 1 1 55 55 ASN CB C 55 40.610 40.610 39.690 0.920 18916 5933 1 13 . 1 1 55 55 ASN H H 55 7.917 7.917 8.405 -0.488 18916 5934 1 13 . 1 1 56 56 LEU N N 56 122.146 122.146 126.220 -4.074 18916 5935 1 13 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.786 0.014 18916 5936 1 13 . 1 1 56 56 LEU CA C 56 51.905 51.905 50.889 1.016 18916 5937 1 13 . 1 1 56 56 LEU CB C 56 44.592 44.592 43.229 1.363 18916 5938 1 13 . 1 1 56 56 LEU H H 56 8.792 8.792 8.440 0.352 18916 5939 1 13 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.537 0.028 18916 5940 1 13 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.490 -0.300 18916 5941 1 13 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.762 -0.263 18916 5942 1 13 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.957 -0.037 18916 5943 1 13 . 1 1 58 58 LEU C C 58 178.806 178.806 179.006 -0.200 18916 5944 1 13 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.357 0.815 18916 5945 1 13 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.588 0.001 18916 5946 1 13 . 1 1 59 59 LYS N N 59 115.039 115.039 119.312 -4.273 18916 5947 1 13 . 1 1 59 59 LYS HA H 59 3.972 3.972 3.969 0.003 18916 5948 1 13 . 1 1 59 59 LYS C C 59 179.053 179.053 178.499 0.554 18916 5949 1 13 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.659 0.865 18916 5950 1 13 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.648 0.763 18916 5951 1 13 . 1 1 59 59 LYS H H 59 8.763 8.763 8.423 0.340 18916 5952 1 13 . 1 1 60 60 LYS N N 60 116.433 116.433 118.652 -2.219 18916 5953 1 13 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.816 0.144 18916 5954 1 13 . 1 1 60 60 LYS C C 60 176.874 176.874 179.245 -2.371 18916 5955 1 13 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.154 -2.433 18916 5956 1 13 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.719 0.214 18916 5957 1 13 . 1 1 60 60 LYS H H 60 7.158 7.158 7.524 -0.366 18916 5958 1 13 . 1 1 61 61 ARG N N 61 120.369 120.369 119.865 0.504 18916 5959 1 13 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.108 -0.284 18916 5960 1 13 . 1 1 61 61 ARG C C 61 179.213 179.213 177.845 1.368 18916 5961 1 13 . 1 1 61 61 ARG CA C 61 59.814 59.814 58.633 1.181 18916 5962 1 13 . 1 1 61 61 ARG CB C 61 29.870 29.870 29.842 0.028 18916 5963 1 13 . 1 1 61 61 ARG H H 61 7.902 7.902 7.894 0.008 18916 5964 1 13 . 1 1 62 62 ILE N N 62 117.956 117.956 119.034 -1.078 18916 5965 1 13 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.775 0.033 18916 5966 1 13 . 1 1 62 62 ILE C C 62 178.966 178.966 178.927 0.039 18916 5967 1 13 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.854 -0.692 18916 5968 1 13 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.655 0.364 18916 5969 1 13 . 1 1 62 62 ILE H H 62 7.727 7.727 7.596 0.131 18916 5970 1 13 . 1 1 63 63 GLU N N 63 121.877 121.877 120.358 1.519 18916 5971 1 13 . 1 1 63 63 GLU HA H 63 3.950 3.950 3.996 -0.046 18916 5972 1 13 . 1 1 63 63 GLU C C 63 178.792 178.792 178.113 0.679 18916 5973 1 13 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.855 0.447 18916 5974 1 13 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.221 0.601 18916 5975 1 13 . 1 1 63 63 GLU H H 63 7.713 7.713 7.727 -0.014 18916 5976 1 13 . 1 1 64 64 PHE N N 64 115.684 115.684 115.863 -0.179 18916 5977 1 13 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.750 0.328 18916 5978 1 13 . 1 1 64 64 PHE C C 64 175.886 175.886 175.551 0.335 18916 5979 1 13 . 1 1 64 64 PHE CA C 64 53.859 53.859 54.855 -0.996 18916 5980 1 13 . 1 1 64 64 PHE CB C 64 37.431 37.431 37.631 -0.200 18916 5981 1 13 . 1 1 64 64 PHE H H 64 8.077 8.077 7.813 0.264 18916 5982 1 13 . 1 1 65 65 ALA N N 65 122.616 122.616 124.254 -1.638 18916 5983 1 13 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.177 -0.013 18916 5984 1 13 . 1 1 65 65 ALA C C 65 178.356 178.356 178.904 -0.548 18916 5985 1 13 . 1 1 65 65 ALA CA C 65 55.421 55.421 55.301 0.120 18916 5986 1 13 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.947 0.296 18916 5987 1 13 . 1 1 65 65 ALA H H 65 7.290 7.290 7.515 -0.225 18916 5988 1 13 . 1 1 66 66 ASN N N 66 112.567 112.567 115.344 -2.777 18916 5989 1 13 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.584 0.021 18916 5990 1 13 . 1 1 66 66 ASN C C 66 174.374 174.374 175.364 -0.990 18916 5991 1 13 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.362 -1.008 18916 5992 1 13 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.981 -1.062 18916 5993 1 13 . 1 1 66 66 ASN H H 66 8.602 8.602 8.615 -0.013 18916 5994 1 13 . 1 1 67 67 TYR N N 67 118.682 118.682 118.152 0.530 18916 5995 1 13 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.362 0.166 18916 5996 1 13 . 1 1 67 67 TYR C C 67 175.072 175.072 176.158 -1.086 18916 5997 1 13 . 1 1 67 67 TYR CA C 67 56.641 56.641 58.405 -1.764 18916 5998 1 13 . 1 1 67 67 TYR CB C 67 40.822 40.822 38.678 2.144 18916 5999 1 13 . 1 1 67 67 TYR H H 67 7.873 7.873 8.012 -0.139 18916 6000 1 13 . 1 1 68 68 LYS N N 68 121.419 121.419 124.430 -3.011 18916 6001 1 13 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.337 -0.537 18916 6002 1 13 . 1 1 68 68 LYS C C 68 174.491 174.491 175.580 -1.089 18916 6003 1 13 . 1 1 68 68 LYS CA C 68 56.246 56.246 54.560 1.686 18916 6004 1 13 . 1 1 68 68 LYS CB C 68 32.664 32.664 29.990 2.674 18916 6005 1 13 . 1 1 68 68 LYS H H 68 7.771 7.771 8.383 -0.612 18916 6006 1 13 . 1 1 69 69 VAL N N 69 126.113 126.113 126.325 -0.212 18916 6007 1 13 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.510 0.672 18916 6008 1 13 . 1 1 69 69 VAL C C 69 176.365 176.365 175.890 0.475 18916 6009 1 13 . 1 1 69 69 VAL CA C 69 60.879 60.879 62.749 -1.870 18916 6010 1 13 . 1 1 69 69 VAL CB C 69 32.355 32.355 31.043 1.312 18916 6011 1 13 . 1 1 69 69 VAL H H 69 8.384 8.384 8.027 0.357 18916 6012 1 13 . 1 1 70 70 VAL N N 70 120.358 120.358 121.035 -0.677 18916 6013 1 13 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.193 0.184 18916 6014 1 13 . 1 1 70 70 VAL C C 70 174.040 174.040 175.158 -1.118 18916 6015 1 13 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.796 -0.947 18916 6016 1 13 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.709 1.044 18916 6017 1 13 . 1 1 70 70 VAL H H 70 9.390 9.390 8.726 0.664 18916 6018 1 13 . 1 1 71 71 SER N N 71 114.634 114.634 116.356 -1.722 18916 6019 1 13 . 1 1 71 71 SER HA H 71 5.630 5.630 5.047 0.583 18916 6020 1 13 . 1 1 71 71 SER CA C 71 60.584 60.584 56.498 4.086 18916 6021 1 13 . 1 1 71 71 SER CB C 71 60.367 60.367 62.770 -2.403 18916 6022 1 13 . 1 1 71 71 SER H H 71 8.354 8.354 8.252 0.102 18916 6023 1 13 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.294 -0.158 18916 6024 1 13 . 1 1 72 72 PRO C C 72 177.193 177.193 178.008 -0.815 18916 6025 1 13 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.471 -0.409 18916 6026 1 13 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.712 0.627 18916 6027 1 13 . 1 1 73 73 ASP N N 73 115.868 115.868 117.499 -1.631 18916 6028 1 13 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.335 -0.133 18916 6029 1 13 . 1 1 73 73 ASP C C 73 175.450 175.450 177.712 -2.262 18916 6030 1 13 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.132 -1.706 18916 6031 1 13 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.792 -0.437 18916 6032 1 13 . 1 1 73 73 ASP H H 73 8.427 8.427 8.843 -0.416 18916 6033 1 13 . 1 1 74 74 TRP N N 74 121.252 121.252 121.776 -0.524 18916 6034 1 13 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.584 -0.966 18916 6035 1 13 . 1 1 74 74 TRP C C 74 178.472 178.472 177.279 1.193 18916 6036 1 13 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.630 -0.615 18916 6037 1 13 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.354 -0.624 18916 6038 1 13 . 1 1 74 74 TRP H H 74 7.833 7.833 7.508 0.325 18916 6039 1 13 . 1 1 75 75 ILE N N 75 116.185 116.185 118.875 -2.690 18916 6040 1 13 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.410 -0.166 18916 6041 1 13 . 1 1 75 75 ILE C C 75 176.728 176.728 177.801 -1.073 18916 6042 1 13 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.481 -1.587 18916 6043 1 13 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.267 -0.046 18916 6044 1 13 . 1 1 75 75 ILE H H 75 6.969 6.969 7.409 -0.440 18916 6045 1 13 . 1 1 76 76 VAL N N 76 117.042 117.042 121.033 -3.991 18916 6046 1 13 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.500 -0.304 18916 6047 1 13 . 1 1 76 76 VAL C C 76 178.675 178.675 178.288 0.387 18916 6048 1 13 . 1 1 76 76 VAL CA C 76 66.945 66.945 66.581 0.364 18916 6049 1 13 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.524 1.121 18916 6050 1 13 . 1 1 76 76 VAL H H 76 7.056 7.056 7.801 -0.745 18916 6051 1 13 . 1 1 77 77 ASP N N 77 120.009 120.009 118.738 1.271 18916 6052 1 13 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.369 -0.065 18916 6053 1 13 . 1 1 77 77 ASP C C 77 178.515 178.515 178.389 0.126 18916 6054 1 13 . 1 1 77 77 ASP CA C 77 56.998 56.998 56.973 0.025 18916 6055 1 13 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.624 -1.774 18916 6056 1 13 . 1 1 77 77 ASP H H 77 9.171 9.171 7.915 1.256 18916 6057 1 13 . 1 1 78 78 SER N N 78 117.973 117.973 116.390 1.583 18916 6058 1 13 . 1 1 78 78 SER HA H 78 4.391 4.391 4.197 0.194 18916 6059 1 13 . 1 1 78 78 SER C C 78 175.290 175.290 176.228 -0.938 18916 6060 1 13 . 1 1 78 78 SER CA C 78 62.948 62.948 62.070 0.878 18916 6061 1 13 . 1 1 78 78 SER CB C 78 63.080 63.080 62.926 0.154 18916 6062 1 13 . 1 1 78 78 SER H H 78 7.056 7.056 7.774 -0.718 18916 6063 1 13 . 1 1 79 79 VAL N N 79 119.889 119.889 120.967 -1.078 18916 6064 1 13 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.503 -0.595 18916 6065 1 13 . 1 1 79 79 VAL C C 79 179.169 179.169 177.254 1.915 18916 6066 1 13 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.731 1.133 18916 6067 1 13 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.463 -0.633 18916 6068 1 13 . 1 1 79 79 VAL H H 79 7.596 7.596 7.536 0.060 18916 6069 1 13 . 1 1 80 80 LYS N N 80 121.062 121.062 119.396 1.666 18916 6070 1 13 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.052 -0.162 18916 6071 1 13 . 1 1 80 80 LYS C C 80 178.806 178.806 177.969 0.837 18916 6072 1 13 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.742 1.037 18916 6073 1 13 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.611 -0.280 18916 6074 1 13 . 1 1 80 80 LYS H H 80 7.946 7.946 7.670 0.276 18916 6075 1 13 . 1 1 81 81 GLU N N 81 115.870 115.870 116.193 -0.323 18916 6076 1 13 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.339 -0.211 18916 6077 1 13 . 1 1 81 81 GLU C C 81 174.912 174.912 176.087 -1.175 18916 6078 1 13 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.640 0.830 18916 6079 1 13 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.854 -0.241 18916 6080 1 13 . 1 1 81 81 GLU H H 81 8.063 8.063 7.781 0.282 18916 6081 1 13 . 1 1 82 82 ALA N N 82 122.380 122.380 121.116 1.264 18916 6082 1 13 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.854 -0.146 18916 6083 1 13 . 1 1 82 82 ALA C C 82 175.711 175.711 175.974 -0.263 18916 6084 1 13 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.254 -0.793 18916 6085 1 13 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.510 -0.929 18916 6086 1 13 . 1 1 82 82 ALA H H 82 7.931 7.931 7.767 0.164 18916 6087 1 13 . 1 1 83 83 ARG N N 83 115.619 115.619 114.362 1.257 18916 6088 1 13 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.527 -0.337 18916 6089 1 13 . 1 1 83 83 ARG C C 83 172.050 172.050 173.332 -1.282 18916 6090 1 13 . 1 1 83 83 ARG CA C 83 55.162 55.162 54.162 1.000 18916 6091 1 13 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.181 0.174 18916 6092 1 13 . 1 1 83 83 ARG H H 83 8.165 8.165 7.864 0.301 18916 6093 1 13 . 1 1 84 84 LEU N N 84 120.648 120.648 123.442 -2.794 18916 6094 1 13 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.159 -0.443 18916 6095 1 13 . 1 1 84 84 LEU C C 84 176.917 176.917 175.557 1.360 18916 6096 1 13 . 1 1 84 84 LEU CA C 84 54.985 54.985 54.761 0.224 18916 6097 1 13 . 1 1 84 84 LEU CB C 84 41.311 41.311 41.880 -0.569 18916 6098 1 13 . 1 1 84 84 LEU H H 84 8.325 8.325 8.378 -0.053 18916 6099 1 13 . 1 1 85 85 LEU N N 85 132.955 132.955 129.163 3.792 18916 6100 1 13 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.985 -0.388 18916 6101 1 13 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.369 2.279 18916 6102 1 13 . 1 1 85 85 LEU CB C 85 40.363 40.363 43.392 -3.030 18916 6103 1 13 . 1 1 85 85 LEU H H 85 7.946 7.946 8.073 -0.127 18916 6104 1 13 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.436 0.149 18916 6105 1 13 . 1 1 86 86 PRO C C 86 178.835 178.835 177.813 1.022 18916 6106 1 13 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.512 0.263 18916 6107 1 13 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.064 0.485 18916 6108 1 13 . 1 1 87 87 TRP N N 87 128.323 128.323 126.125 2.198 18916 6109 1 13 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.565 0.070 18916 6110 1 13 . 1 1 87 87 TRP C C 87 177.963 177.963 176.832 1.131 18916 6111 1 13 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.275 0.278 18916 6112 1 13 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.564 -0.603 18916 6113 1 13 . 1 1 87 87 TRP H H 87 8.369 8.369 8.420 -0.051 18916 6114 1 13 . 1 1 88 88 GLN N N 88 120.928 120.928 117.635 3.293 18916 6115 1 13 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.302 -0.397 18916 6116 1 13 . 1 1 88 88 GLN C C 88 178.196 178.196 177.432 0.764 18916 6117 1 13 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.487 2.435 18916 6118 1 13 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.053 -0.593 18916 6119 1 13 . 1 1 88 88 GLN H H 88 8.354 8.354 7.420 0.934 18916 6120 1 13 . 1 1 89 89 ASN N N 89 116.452 116.452 116.906 -0.454 18916 6121 1 13 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.347 -0.048 18916 6122 1 13 . 1 1 89 89 ASN C C 89 174.752 174.752 175.683 -0.931 18916 6123 1 13 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.290 -0.159 18916 6124 1 13 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.323 -0.962 18916 6125 1 13 . 1 1 89 89 ASN H H 89 7.304 7.304 7.391 -0.087 18916 6126 1 13 . 1 1 90 90 TYR N N 90 118.336 118.336 116.180 2.156 18916 6127 1 13 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.541 0.073 18916 6128 1 13 . 1 1 90 90 TYR C C 90 174.534 174.534 175.096 -0.562 18916 6129 1 13 . 1 1 90 90 TYR CA C 90 57.534 57.534 57.898 -0.364 18916 6130 1 13 . 1 1 90 90 TYR CB C 90 40.153 40.153 39.170 0.983 18916 6131 1 13 . 1 1 90 90 TYR H H 90 8.048 8.048 7.538 0.510 18916 6132 1 13 . 1 1 91 91 SER N N 91 114.053 114.053 116.914 -2.861 18916 6133 1 13 . 1 1 91 91 SER HA H 91 5.015 5.015 4.798 0.217 18916 6134 1 13 . 1 1 91 91 SER C C 91 176.205 176.205 174.902 1.303 18916 6135 1 13 . 1 1 91 91 SER CA C 91 58.037 58.037 57.742 0.295 18916 6136 1 13 . 1 1 91 91 SER CB C 91 64.342 64.342 62.526 1.816 18916 6137 1 13 . 1 1 91 91 SER H H 91 7.012 7.012 7.933 -0.921 18916 6138 1 13 . 1 1 92 92 LEU N N 92 126.106 126.106 125.967 0.139 18916 6139 1 13 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.195 0.410 18916 6140 1 13 . 1 1 92 92 LEU C C 92 177.687 177.687 178.485 -0.798 18916 6141 1 13 . 1 1 92 92 LEU CA C 92 55.405 55.405 56.539 -1.134 18916 6142 1 13 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.410 1.477 18916 6143 1 13 . 1 1 92 92 LEU H H 92 8.777 8.777 8.379 0.398 18916 6144 1 13 . 1 1 93 93 THR N N 93 112.458 112.458 112.095 0.363 18916 6145 1 13 . 1 1 93 93 THR HA H 93 4.489 4.489 4.197 0.292 18916 6146 1 13 . 1 1 93 93 THR C C 93 173.851 173.851 175.249 -1.398 18916 6147 1 13 . 1 1 93 93 THR CA C 93 61.318 61.318 64.237 -2.920 18916 6148 1 13 . 1 1 93 93 THR CB C 93 69.853 69.853 69.225 0.628 18916 6149 1 13 . 1 1 93 93 THR H H 93 8.252 8.252 7.878 0.374 18916 6150 1 14 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.520 -0.738 18916 6151 1 14 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.833 1.045 18916 6152 1 14 . 1 1 4 4 GLN CB C 4 29.441 29.441 29.534 -0.093 18916 6153 1 14 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.527 0.027 18916 6154 1 14 . 1 1 7 7 LYS C C 7 178.298 178.298 177.302 0.996 18916 6155 1 14 . 1 1 7 7 LYS CA C 7 54.750 54.750 56.227 -1.477 18916 6156 1 14 . 1 1 7 7 LYS CB C 7 32.593 32.593 32.079 0.514 18916 6157 1 14 . 1 1 8 8 ILE N N 8 119.676 119.676 120.374 -0.698 18916 6158 1 14 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.598 -0.014 18916 6159 1 14 . 1 1 8 8 ILE C C 8 177.164 177.164 176.415 0.749 18916 6160 1 14 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.198 1.714 18916 6161 1 14 . 1 1 8 8 ILE CB C 8 38.974 38.974 38.111 0.863 18916 6162 1 14 . 1 1 8 8 ILE H H 8 7.633 7.633 7.519 0.114 18916 6163 1 14 . 1 1 9 9 PHE N N 9 113.639 113.639 114.836 -1.197 18916 6164 1 14 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.802 0.110 18916 6165 1 14 . 1 1 9 9 PHE C C 9 174.520 174.520 177.373 -2.853 18916 6166 1 14 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.872 0.167 18916 6167 1 14 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.344 -0.630 18916 6168 1 14 . 1 1 9 9 PHE H H 9 8.403 8.403 7.476 0.927 18916 6169 1 14 . 1 1 10 10 LYS N N 10 120.104 120.104 122.642 -2.538 18916 6170 1 14 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.379 -0.236 18916 6171 1 14 . 1 1 10 10 LYS C C 10 177.600 177.600 177.233 0.367 18916 6172 1 14 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.629 -0.121 18916 6173 1 14 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.189 0.251 18916 6174 1 14 . 1 1 10 10 LYS H H 10 7.328 7.328 8.379 -1.051 18916 6175 1 14 . 1 1 11 11 ASN N N 11 116.960 116.960 115.086 1.874 18916 6176 1 14 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.831 -0.286 18916 6177 1 14 . 1 1 11 11 ASN C C 11 175.566 175.566 175.001 0.565 18916 6178 1 14 . 1 1 11 11 ASN CA C 11 55.479 55.479 53.249 2.230 18916 6179 1 14 . 1 1 11 11 ASN CB C 11 37.528 37.528 39.027 -1.499 18916 6180 1 14 . 1 1 11 11 ASN H H 11 8.984 8.984 8.702 0.282 18916 6181 1 14 . 1 1 12 12 CYS N N 12 118.344 118.344 120.043 -1.699 18916 6182 1 14 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.833 0.293 18916 6183 1 14 . 1 1 12 12 CYS C C 12 175.014 175.014 173.403 1.611 18916 6184 1 14 . 1 1 12 12 CYS CA C 12 59.549 59.549 58.834 0.715 18916 6185 1 14 . 1 1 12 12 CYS CB C 12 29.319 29.319 30.345 -1.026 18916 6186 1 14 . 1 1 12 12 CYS H H 12 8.460 8.460 7.892 0.568 18916 6187 1 14 . 1 1 13 13 VAL N N 13 128.765 128.765 126.869 1.896 18916 6188 1 14 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.132 0.257 18916 6189 1 14 . 1 1 13 13 VAL C C 13 174.912 174.912 174.536 0.376 18916 6190 1 14 . 1 1 13 13 VAL CA C 13 62.294 62.294 62.378 -0.084 18916 6191 1 14 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.422 1.046 18916 6192 1 14 . 1 1 13 13 VAL H H 13 9.878 9.878 8.951 0.927 18916 6193 1 14 . 1 1 14 14 ILE N N 14 128.270 128.270 127.406 0.864 18916 6194 1 14 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.123 0.077 18916 6195 1 14 . 1 1 14 14 ILE C C 14 174.098 174.098 175.030 -0.932 18916 6196 1 14 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.490 0.814 18916 6197 1 14 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.611 0.933 18916 6198 1 14 . 1 1 14 14 ILE H H 14 8.841 8.841 8.316 0.525 18916 6199 1 14 . 1 1 15 15 TYR N N 15 125.475 125.475 129.336 -3.861 18916 6200 1 14 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.225 -0.116 18916 6201 1 14 . 1 1 15 15 TYR C C 15 173.023 173.023 173.786 -0.763 18916 6202 1 14 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.590 0.297 18916 6203 1 14 . 1 1 15 15 TYR CB C 15 42.813 42.813 40.385 2.428 18916 6204 1 14 . 1 1 15 15 TYR H H 15 8.023 8.023 9.072 -1.049 18916 6205 1 14 . 1 1 16 16 ILE N N 16 128.262 128.262 129.709 -1.447 18916 6206 1 14 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.339 0.028 18916 6207 1 14 . 1 1 16 16 ILE C C 16 173.895 173.895 174.191 -0.296 18916 6208 1 14 . 1 1 16 16 ILE CA C 16 59.688 59.688 60.722 -1.034 18916 6209 1 14 . 1 1 16 16 ILE CB C 16 36.912 36.912 38.844 -1.932 18916 6210 1 14 . 1 1 16 16 ILE H H 16 8.708 8.708 8.500 0.208 18916 6211 1 14 . 1 1 17 17 ASN N N 17 126.842 126.842 122.819 4.023 18916 6212 1 14 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.666 -0.005 18916 6213 1 14 . 1 1 17 17 ASN C C 17 174.171 174.171 174.763 -0.592 18916 6214 1 14 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.715 1.171 18916 6215 1 14 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.291 1.653 18916 6216 1 14 . 1 1 17 17 ASN H H 17 8.974 8.974 8.378 0.596 18916 6217 1 14 . 1 1 18 18 GLY N N 18 113.508 113.508 113.376 0.132 18916 6218 1 14 . 1 1 18 18 GLY C C 18 172.529 172.529 173.565 -1.036 18916 6219 1 14 . 1 1 18 18 GLY CA C 18 45.185 45.185 45.784 -0.599 18916 6220 1 14 . 1 1 18 18 GLY H H 18 8.727 8.727 8.612 0.115 18916 6221 1 14 . 1 1 19 19 TYR N N 19 121.021 121.021 122.775 -1.754 18916 6222 1 14 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.807 -0.357 18916 6223 1 14 . 1 1 19 19 TYR C C 19 176.147 176.147 174.538 1.609 18916 6224 1 14 . 1 1 19 19 TYR CA C 19 58.982 58.982 56.766 2.216 18916 6225 1 14 . 1 1 19 19 TYR CB C 19 38.701 38.701 40.529 -1.828 18916 6226 1 14 . 1 1 19 19 TYR H H 19 8.651 8.651 8.323 0.328 18916 6227 1 14 . 1 1 20 20 THR N N 20 117.677 117.677 111.955 5.722 18916 6228 1 14 . 1 1 20 20 THR HA H 20 4.279 4.279 4.559 -0.280 18916 6229 1 14 . 1 1 20 20 THR C C 20 171.803 171.803 172.886 -1.083 18916 6230 1 14 . 1 1 20 20 THR CA C 20 59.986 59.986 60.580 -0.594 18916 6231 1 14 . 1 1 20 20 THR CB C 20 73.362 73.362 71.052 2.310 18916 6232 1 14 . 1 1 20 20 THR H H 20 7.242 7.242 8.345 -1.103 18916 6233 1 14 . 1 1 21 21 LYS N N 21 120.592 120.592 124.427 -3.835 18916 6234 1 14 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.789 -0.742 18916 6235 1 14 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.867 1.163 18916 6236 1 14 . 1 1 21 21 LYS CB C 21 34.826 34.826 33.035 1.791 18916 6237 1 14 . 1 1 21 21 LYS H H 21 7.718 7.718 8.533 -0.815 18916 6238 1 14 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.490 0.100 18916 6239 1 14 . 1 1 22 22 PRO C C 22 175.043 175.043 176.891 -1.848 18916 6240 1 14 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.411 0.537 18916 6241 1 14 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.616 1.924 18916 6242 1 14 . 1 1 23 23 GLY N N 23 105.352 105.352 106.427 -1.075 18916 6243 1 14 . 1 1 23 23 GLY C C 23 172.762 172.762 175.939 -3.177 18916 6244 1 14 . 1 1 23 23 GLY CA C 23 44.880 44.880 45.031 -0.151 18916 6245 1 14 . 1 1 23 23 GLY H H 23 8.356 8.356 8.555 -0.199 18916 6246 1 14 . 1 1 24 24 ARG N N 24 119.274 119.274 123.557 -4.283 18916 6247 1 14 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.837 -0.562 18916 6248 1 14 . 1 1 24 24 ARG C C 24 176.263 176.263 178.182 -1.919 18916 6249 1 14 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.752 1.168 18916 6250 1 14 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.633 0.698 18916 6251 1 14 . 1 1 24 24 ARG H H 24 7.813 7.813 8.723 -0.910 18916 6252 1 14 . 1 1 25 25 LEU N N 25 116.403 116.403 115.358 1.045 18916 6253 1 14 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.234 -0.544 18916 6254 1 14 . 1 1 25 25 LEU C C 25 179.562 179.562 178.628 0.934 18916 6255 1 14 . 1 1 25 25 LEU CA C 25 58.391 58.391 56.899 1.492 18916 6256 1 14 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.986 -0.142 18916 6257 1 14 . 1 1 25 25 LEU H H 25 8.156 8.156 7.905 0.251 18916 6258 1 14 . 1 1 26 26 GLN N N 26 118.294 118.294 119.770 -1.476 18916 6259 1 14 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.050 -0.084 18916 6260 1 14 . 1 1 26 26 GLN C C 26 179.358 179.358 178.489 0.869 18916 6261 1 14 . 1 1 26 26 GLN CA C 26 59.322 59.322 58.760 0.562 18916 6262 1 14 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.744 -0.687 18916 6263 1 14 . 1 1 26 26 GLN H H 26 7.423 7.423 7.587 -0.164 18916 6264 1 14 . 1 1 27 27 LEU N N 27 119.419 119.419 119.583 -0.164 18916 6265 1 14 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.788 0.140 18916 6266 1 14 . 1 1 27 27 LEU C C 27 178.777 178.777 178.813 -0.036 18916 6267 1 14 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.241 -0.217 18916 6268 1 14 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.652 0.238 18916 6269 1 14 . 1 1 27 27 LEU H H 27 8.127 8.127 7.805 0.322 18916 6270 1 14 . 1 1 28 28 HIS N N 28 118.332 118.332 118.265 0.067 18916 6271 1 14 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.964 -0.222 18916 6272 1 14 . 1 1 28 28 HIS C C 28 177.121 177.121 177.503 -0.382 18916 6273 1 14 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.727 -1.929 18916 6274 1 14 . 1 1 28 28 HIS CB C 28 29.441 29.441 30.052 -0.611 18916 6275 1 14 . 1 1 28 28 HIS H H 28 8.727 8.727 8.225 0.502 18916 6276 1 14 . 1 1 29 29 GLU N N 29 116.699 116.699 118.742 -2.043 18916 6277 1 14 . 1 1 29 29 GLU HA H 29 3.978 3.978 4.051 -0.073 18916 6278 1 14 . 1 1 29 29 GLU C C 29 178.951 178.951 179.169 -0.218 18916 6279 1 14 . 1 1 29 29 GLU CA C 29 59.276 59.276 58.944 0.332 18916 6280 1 14 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.289 0.395 18916 6281 1 14 . 1 1 29 29 GLU H H 29 7.518 7.518 7.800 -0.282 18916 6282 1 14 . 1 1 30 30 MET N N 30 118.090 118.090 118.304 -0.214 18916 6283 1 14 . 1 1 30 30 MET HA H 30 4.055 4.055 4.234 -0.179 18916 6284 1 14 . 1 1 30 30 MET C C 30 177.992 177.992 179.124 -1.132 18916 6285 1 14 . 1 1 30 30 MET CA C 30 60.040 60.040 57.415 2.625 18916 6286 1 14 . 1 1 30 30 MET CB C 30 34.522 34.522 31.704 2.818 18916 6287 1 14 . 1 1 30 30 MET H H 30 7.766 7.766 8.094 -0.328 18916 6288 1 14 . 1 1 31 31 ILE N N 31 118.458 118.458 119.619 -1.161 18916 6289 1 14 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.182 0.070 18916 6290 1 14 . 1 1 31 31 ILE C C 31 178.007 178.007 178.208 -0.201 18916 6291 1 14 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.240 -0.349 18916 6292 1 14 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.398 0.784 18916 6293 1 14 . 1 1 31 31 ILE H H 31 8.337 8.337 8.020 0.317 18916 6294 1 14 . 1 1 32 32 VAL N N 32 117.878 117.878 120.749 -2.871 18916 6295 1 14 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.103 -0.100 18916 6296 1 14 . 1 1 32 32 VAL C C 32 180.884 180.884 179.126 1.758 18916 6297 1 14 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.828 -0.452 18916 6298 1 14 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.232 0.765 18916 6299 1 14 . 1 1 32 32 VAL H H 32 7.888 7.888 7.832 0.056 18916 6300 1 14 . 1 1 33 33 LEU N N 33 123.609 123.609 117.861 5.748 18916 6301 1 14 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.110 -0.037 18916 6302 1 14 . 1 1 33 33 LEU C C 33 177.498 177.498 177.922 -0.424 18916 6303 1 14 . 1 1 33 33 LEU CA C 33 57.662 57.662 57.056 0.606 18916 6304 1 14 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.463 1.827 18916 6305 1 14 . 1 1 33 33 LEU H H 33 8.281 8.281 8.204 0.077 18916 6306 1 14 . 1 1 34 34 HIS N N 34 113.272 113.272 114.482 -1.210 18916 6307 1 14 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.763 -0.048 18916 6308 1 14 . 1 1 34 34 HIS C C 34 175.464 175.464 175.272 0.192 18916 6309 1 14 . 1 1 34 34 HIS CA C 34 56.396 56.396 54.986 1.410 18916 6310 1 14 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.364 0.404 18916 6311 1 14 . 1 1 34 34 HIS H H 34 7.319 7.319 7.639 -0.320 18916 6312 1 14 . 1 1 35 35 GLY N N 35 104.307 104.307 106.595 -2.288 18916 6313 1 14 . 1 1 35 35 GLY C C 35 174.985 174.985 174.715 0.270 18916 6314 1 14 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.431 1.883 18916 6315 1 14 . 1 1 35 35 GLY H H 35 7.392 7.392 8.015 -0.623 18916 6316 1 14 . 1 1 36 36 GLY N N 36 108.630 108.630 108.137 0.493 18916 6317 1 14 . 1 1 36 36 GLY C C 36 171.701 171.701 173.507 -1.806 18916 6318 1 14 . 1 1 36 36 GLY CA C 36 44.392 44.392 44.054 0.338 18916 6319 1 14 . 1 1 36 36 GLY H H 36 8.763 8.763 8.205 0.558 18916 6320 1 14 . 1 1 37 37 LYS N N 37 115.119 115.119 120.504 -5.385 18916 6321 1 14 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.705 -0.091 18916 6322 1 14 . 1 1 37 37 LYS C C 37 174.302 174.302 175.623 -1.321 18916 6323 1 14 . 1 1 37 37 LYS CA C 37 54.319 54.319 54.814 -0.495 18916 6324 1 14 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.138 1.112 18916 6325 1 14 . 1 1 37 37 LYS H H 37 7.406 7.406 8.066 -0.660 18916 6326 1 14 . 1 1 38 38 PHE N N 38 117.196 117.196 116.432 0.764 18916 6327 1 14 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.774 0.114 18916 6328 1 14 . 1 1 38 38 PHE C C 38 173.604 173.604 173.819 -0.215 18916 6329 1 14 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.288 -0.436 18916 6330 1 14 . 1 1 38 38 PHE CB C 38 43.379 43.379 42.011 1.368 18916 6331 1 14 . 1 1 38 38 PHE H H 38 7.844 7.844 7.873 -0.029 18916 6332 1 14 . 1 1 39 39 LEU N N 39 119.576 119.576 121.645 -2.069 18916 6333 1 14 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.972 -0.368 18916 6334 1 14 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.646 -0.985 18916 6335 1 14 . 1 1 39 39 LEU CB C 39 45.901 45.901 45.624 0.277 18916 6336 1 14 . 1 1 39 39 LEU H H 39 8.223 8.223 8.717 -0.494 18916 6337 1 14 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.497 0.142 18916 6338 1 14 . 1 1 40 40 HIS C C 40 174.694 174.694 174.067 0.627 18916 6339 1 14 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.866 0.804 18916 6340 1 14 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.426 1.464 18916 6341 1 14 . 1 1 41 41 TYR N N 41 115.005 115.005 117.675 -2.670 18916 6342 1 14 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.117 0.543 18916 6343 1 14 . 1 1 41 41 TYR C C 41 173.023 173.023 173.085 -0.062 18916 6344 1 14 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.603 -1.706 18916 6345 1 14 . 1 1 41 41 TYR CB C 41 40.313 40.313 39.872 0.441 18916 6346 1 14 . 1 1 41 41 TYR H H 41 7.363 7.363 7.111 0.252 18916 6347 1 14 . 1 1 42 42 LEU N N 42 121.687 121.687 126.722 -5.035 18916 6348 1 14 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.178 -0.290 18916 6349 1 14 . 1 1 42 42 LEU CA C 42 54.041 54.041 54.127 -0.086 18916 6350 1 14 . 1 1 42 42 LEU CB C 42 41.096 41.096 43.803 -2.708 18916 6351 1 14 . 1 1 42 42 LEU H H 42 8.252 8.252 6.798 1.454 18916 6352 1 14 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.525 -0.291 18916 6353 1 14 . 1 1 46 46 LYS CA C 46 56.885 56.885 56.462 0.423 18916 6354 1 14 . 1 1 46 46 LYS CB C 46 32.542 32.542 31.332 1.210 18916 6355 1 14 . 1 1 47 47 THR HA H 47 4.168 4.168 4.493 -0.325 18916 6356 1 14 . 1 1 47 47 THR C C 47 174.186 174.186 173.610 0.576 18916 6357 1 14 . 1 1 47 47 THR CA C 47 62.706 62.706 62.184 0.522 18916 6358 1 14 . 1 1 47 47 THR CB C 47 69.762 69.762 70.564 -0.802 18916 6359 1 14 . 1 1 48 48 VAL N N 48 123.218 123.218 121.879 1.339 18916 6360 1 14 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.250 -0.407 18916 6361 1 14 . 1 1 48 48 VAL C C 48 174.985 174.985 174.826 0.159 18916 6362 1 14 . 1 1 48 48 VAL CA C 48 62.146 62.146 60.514 1.632 18916 6363 1 14 . 1 1 48 48 VAL CB C 48 33.167 33.167 33.034 0.133 18916 6364 1 14 . 1 1 48 48 VAL H H 48 7.771 7.771 7.476 0.295 18916 6365 1 14 . 1 1 49 49 THR N N 49 116.982 116.982 120.147 -3.165 18916 6366 1 14 . 1 1 49 49 THR HA H 49 4.319 4.319 4.523 -0.204 18916 6367 1 14 . 1 1 49 49 THR C C 49 176.118 176.118 173.700 2.418 18916 6368 1 14 . 1 1 49 49 THR CA C 49 62.831 62.831 61.028 1.803 18916 6369 1 14 . 1 1 49 49 THR CB C 49 69.114 69.114 69.938 -0.824 18916 6370 1 14 . 1 1 49 49 THR H H 49 9.798 9.798 8.276 1.522 18916 6371 1 14 . 1 1 50 50 HIS N N 50 121.799 121.799 119.122 2.677 18916 6372 1 14 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.079 -0.163 18916 6373 1 14 . 1 1 50 50 HIS C C 50 172.849 172.849 173.069 -0.220 18916 6374 1 14 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.662 1.992 18916 6375 1 14 . 1 1 50 50 HIS CB C 50 34.649 34.649 33.155 1.494 18916 6376 1 14 . 1 1 50 50 HIS H H 50 7.596 7.596 7.942 -0.346 18916 6377 1 14 . 1 1 51 51 ILE N N 51 123.013 123.013 124.537 -1.524 18916 6378 1 14 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.864 0.116 18916 6379 1 14 . 1 1 51 51 ILE C C 51 174.505 174.505 174.571 -0.066 18916 6380 1 14 . 1 1 51 51 ILE CA C 51 58.967 58.967 59.983 -1.016 18916 6381 1 14 . 1 1 51 51 ILE CB C 51 39.153 39.153 40.775 -1.622 18916 6382 1 14 . 1 1 51 51 ILE H H 51 8.996 8.996 8.129 0.867 18916 6383 1 14 . 1 1 52 52 VAL N N 52 127.413 127.413 126.917 0.496 18916 6384 1 14 . 1 1 52 52 VAL HA H 52 5.302 5.302 5.113 0.189 18916 6385 1 14 . 1 1 52 52 VAL C C 52 174.084 174.084 174.313 -0.229 18916 6386 1 14 . 1 1 52 52 VAL CA C 52 59.207 59.207 60.759 -1.552 18916 6387 1 14 . 1 1 52 52 VAL CB C 52 33.259 33.259 33.156 0.103 18916 6388 1 14 . 1 1 52 52 VAL H H 52 8.821 8.821 8.447 0.374 18916 6389 1 14 . 1 1 53 53 ALA N N 53 127.601 127.601 129.989 -2.388 18916 6390 1 14 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.449 -0.827 18916 6391 1 14 . 1 1 53 53 ALA C C 53 174.680 174.680 176.198 -1.518 18916 6392 1 14 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.166 0.744 18916 6393 1 14 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.858 0.302 18916 6394 1 14 . 1 1 53 53 ALA H H 53 8.967 8.967 8.182 0.785 18916 6395 1 14 . 1 1 54 54 SER N N 54 113.005 113.005 116.508 -3.503 18916 6396 1 14 . 1 1 54 54 SER HA H 54 4.657 4.657 4.479 0.178 18916 6397 1 14 . 1 1 54 54 SER C C 54 174.229 174.229 174.289 -0.060 18916 6398 1 14 . 1 1 54 54 SER CA C 54 59.671 59.671 59.914 -0.243 18916 6399 1 14 . 1 1 54 54 SER CB C 54 64.852 64.852 63.902 0.950 18916 6400 1 14 . 1 1 54 54 SER H H 54 9.303 9.303 8.727 0.576 18916 6401 1 14 . 1 1 55 55 ASN N N 55 117.475 117.475 119.011 -1.536 18916 6402 1 14 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.959 -0.358 18916 6403 1 14 . 1 1 55 55 ASN C C 55 173.052 173.052 173.219 -0.167 18916 6404 1 14 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.728 0.397 18916 6405 1 14 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.147 0.463 18916 6406 1 14 . 1 1 55 55 ASN H H 55 7.917 7.917 8.259 -0.342 18916 6407 1 14 . 1 1 56 56 LEU N N 56 122.146 122.146 123.757 -1.611 18916 6408 1 14 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.875 -0.075 18916 6409 1 14 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.538 0.367 18916 6410 1 14 . 1 1 56 56 LEU CB C 56 44.592 44.592 44.993 -0.401 18916 6411 1 14 . 1 1 56 56 LEU H H 56 8.792 8.792 8.619 0.173 18916 6412 1 14 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.768 -0.203 18916 6413 1 14 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.236 -0.046 18916 6414 1 14 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.876 -0.377 18916 6415 1 14 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.917 0.003 18916 6416 1 14 . 1 1 58 58 LEU C C 58 178.806 178.806 178.880 -0.074 18916 6417 1 14 . 1 1 58 58 LEU CA C 58 59.172 59.172 59.158 0.014 18916 6418 1 14 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.491 0.098 18916 6419 1 14 . 1 1 59 59 LYS N N 59 115.039 115.039 117.013 -1.974 18916 6420 1 14 . 1 1 59 59 LYS HA H 59 3.972 3.972 3.998 -0.026 18916 6421 1 14 . 1 1 59 59 LYS C C 59 179.053 179.053 178.906 0.147 18916 6422 1 14 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.809 0.714 18916 6423 1 14 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.403 1.008 18916 6424 1 14 . 1 1 59 59 LYS H H 59 8.763 8.763 8.435 0.328 18916 6425 1 14 . 1 1 60 60 LYS N N 60 116.433 116.433 119.724 -3.291 18916 6426 1 14 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.793 0.167 18916 6427 1 14 . 1 1 60 60 LYS C C 60 176.874 176.874 178.923 -2.049 18916 6428 1 14 . 1 1 60 60 LYS CA C 60 55.721 55.721 57.803 -2.082 18916 6429 1 14 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.745 0.188 18916 6430 1 14 . 1 1 60 60 LYS H H 60 7.158 7.158 7.572 -0.414 18916 6431 1 14 . 1 1 61 61 ARG N N 61 120.369 120.369 119.282 1.087 18916 6432 1 14 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.049 -0.225 18916 6433 1 14 . 1 1 61 61 ARG C C 61 179.213 179.213 178.397 0.816 18916 6434 1 14 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.566 0.247 18916 6435 1 14 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.032 -0.161 18916 6436 1 14 . 1 1 61 61 ARG H H 61 7.902 7.902 7.752 0.150 18916 6437 1 14 . 1 1 62 62 ILE N N 62 117.956 117.956 118.695 -0.739 18916 6438 1 14 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.722 0.086 18916 6439 1 14 . 1 1 62 62 ILE C C 62 178.966 178.966 178.802 0.164 18916 6440 1 14 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.630 -0.468 18916 6441 1 14 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.650 0.369 18916 6442 1 14 . 1 1 62 62 ILE H H 62 7.727 7.727 7.480 0.247 18916 6443 1 14 . 1 1 63 63 GLU N N 63 121.877 121.877 119.503 2.374 18916 6444 1 14 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.093 -0.143 18916 6445 1 14 . 1 1 63 63 GLU C C 63 178.792 178.792 177.767 1.025 18916 6446 1 14 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.219 1.083 18916 6447 1 14 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.382 0.440 18916 6448 1 14 . 1 1 63 63 GLU H H 63 7.713 7.713 7.774 -0.061 18916 6449 1 14 . 1 1 64 64 PHE N N 64 115.684 115.684 116.989 -1.305 18916 6450 1 14 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.873 0.205 18916 6451 1 14 . 1 1 64 64 PHE C C 64 175.886 175.886 174.812 1.074 18916 6452 1 14 . 1 1 64 64 PHE CA C 64 53.859 53.859 54.898 -1.039 18916 6453 1 14 . 1 1 64 64 PHE CB C 64 37.431 37.431 37.910 -0.478 18916 6454 1 14 . 1 1 64 64 PHE H H 64 8.077 8.077 7.729 0.348 18916 6455 1 14 . 1 1 65 65 ALA N N 65 122.616 122.616 122.497 0.119 18916 6456 1 14 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.172 -0.008 18916 6457 1 14 . 1 1 65 65 ALA C C 65 178.356 178.356 177.968 0.388 18916 6458 1 14 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.395 1.026 18916 6459 1 14 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.809 0.434 18916 6460 1 14 . 1 1 65 65 ALA H H 65 7.290 7.290 7.158 0.132 18916 6461 1 14 . 1 1 66 66 ASN N N 66 112.567 112.567 115.799 -3.232 18916 6462 1 14 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.546 0.059 18916 6463 1 14 . 1 1 66 66 ASN C C 66 174.374 174.374 174.318 0.056 18916 6464 1 14 . 1 1 66 66 ASN CA C 66 53.354 53.354 53.864 -0.510 18916 6465 1 14 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.858 -0.939 18916 6466 1 14 . 1 1 66 66 ASN H H 66 8.602 8.602 8.111 0.491 18916 6467 1 14 . 1 1 67 67 TYR N N 67 118.682 118.682 117.711 0.971 18916 6468 1 14 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.444 0.084 18916 6469 1 14 . 1 1 67 67 TYR C C 67 175.072 175.072 175.156 -0.084 18916 6470 1 14 . 1 1 67 67 TYR CA C 67 56.641 56.641 56.020 0.621 18916 6471 1 14 . 1 1 67 67 TYR CB C 67 40.822 40.822 37.687 3.135 18916 6472 1 14 . 1 1 67 67 TYR H H 67 7.873 7.873 7.369 0.504 18916 6473 1 14 . 1 1 68 68 LYS N N 68 121.419 121.419 125.069 -3.650 18916 6474 1 14 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.170 -0.370 18916 6475 1 14 . 1 1 68 68 LYS C C 68 174.491 174.491 176.098 -1.607 18916 6476 1 14 . 1 1 68 68 LYS CA C 68 56.246 56.246 55.560 0.686 18916 6477 1 14 . 1 1 68 68 LYS CB C 68 32.664 32.664 29.961 2.703 18916 6478 1 14 . 1 1 68 68 LYS H H 68 7.771 7.771 8.266 -0.495 18916 6479 1 14 . 1 1 69 69 VAL N N 69 126.113 126.113 125.673 0.440 18916 6480 1 14 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.776 0.406 18916 6481 1 14 . 1 1 69 69 VAL C C 69 176.365 176.365 175.758 0.607 18916 6482 1 14 . 1 1 69 69 VAL CA C 69 60.879 60.879 62.382 -1.503 18916 6483 1 14 . 1 1 69 69 VAL CB C 69 32.355 32.355 32.097 0.258 18916 6484 1 14 . 1 1 69 69 VAL H H 69 8.384 8.384 8.110 0.274 18916 6485 1 14 . 1 1 70 70 VAL N N 70 120.358 120.358 121.976 -1.618 18916 6486 1 14 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.184 0.193 18916 6487 1 14 . 1 1 70 70 VAL C C 70 174.040 174.040 174.988 -0.948 18916 6488 1 14 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.731 -0.882 18916 6489 1 14 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.623 1.130 18916 6490 1 14 . 1 1 70 70 VAL H H 70 9.390 9.390 9.098 0.292 18916 6491 1 14 . 1 1 71 71 SER N N 71 114.634 114.634 114.991 -0.357 18916 6492 1 14 . 1 1 71 71 SER HA H 71 5.630 5.630 5.522 0.108 18916 6493 1 14 . 1 1 71 71 SER CA C 71 60.584 60.584 55.862 4.722 18916 6494 1 14 . 1 1 71 71 SER CB C 71 60.367 60.367 63.132 -2.765 18916 6495 1 14 . 1 1 71 71 SER H H 71 8.354 8.354 8.254 0.100 18916 6496 1 14 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.336 -0.200 18916 6497 1 14 . 1 1 72 72 PRO C C 72 177.193 177.193 177.773 -0.580 18916 6498 1 14 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.567 -0.506 18916 6499 1 14 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.655 0.684 18916 6500 1 14 . 1 1 73 73 ASP N N 73 115.868 115.868 118.723 -2.855 18916 6501 1 14 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.334 -0.132 18916 6502 1 14 . 1 1 73 73 ASP C C 73 175.450 175.450 177.820 -2.370 18916 6503 1 14 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.343 -1.917 18916 6504 1 14 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.975 -0.620 18916 6505 1 14 . 1 1 73 73 ASP H H 73 8.427 8.427 8.468 -0.041 18916 6506 1 14 . 1 1 74 74 TRP N N 74 121.252 121.252 121.258 -0.006 18916 6507 1 14 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.505 -0.887 18916 6508 1 14 . 1 1 74 74 TRP C C 74 178.472 178.472 177.355 1.117 18916 6509 1 14 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.663 -0.648 18916 6510 1 14 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.340 -0.610 18916 6511 1 14 . 1 1 74 74 TRP H H 74 7.833 7.833 7.551 0.282 18916 6512 1 14 . 1 1 75 75 ILE N N 75 116.185 116.185 119.442 -3.257 18916 6513 1 14 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.839 -0.595 18916 6514 1 14 . 1 1 75 75 ILE C C 75 176.728 176.728 178.151 -1.423 18916 6515 1 14 . 1 1 75 75 ILE CA C 75 62.895 62.895 63.947 -1.052 18916 6516 1 14 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.934 -0.713 18916 6517 1 14 . 1 1 75 75 ILE H H 75 6.969 6.969 7.407 -0.438 18916 6518 1 14 . 1 1 76 76 VAL N N 76 117.042 117.042 120.063 -3.021 18916 6519 1 14 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.461 -0.265 18916 6520 1 14 . 1 1 76 76 VAL C C 76 178.675 178.675 177.884 0.791 18916 6521 1 14 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.019 -0.074 18916 6522 1 14 . 1 1 76 76 VAL CB C 76 32.645 32.645 30.810 1.835 18916 6523 1 14 . 1 1 76 76 VAL H H 76 7.056 7.056 7.949 -0.893 18916 6524 1 14 . 1 1 77 77 ASP N N 77 120.009 120.009 118.229 1.780 18916 6525 1 14 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.344 -0.040 18916 6526 1 14 . 1 1 77 77 ASP C C 77 178.515 178.515 178.162 0.353 18916 6527 1 14 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.344 -0.346 18916 6528 1 14 . 1 1 77 77 ASP CB C 77 38.850 38.850 41.016 -2.166 18916 6529 1 14 . 1 1 77 77 ASP H H 77 9.171 9.171 7.966 1.205 18916 6530 1 14 . 1 1 78 78 SER N N 78 117.973 117.973 116.231 1.742 18916 6531 1 14 . 1 1 78 78 SER HA H 78 4.391 4.391 4.078 0.313 18916 6532 1 14 . 1 1 78 78 SER C C 78 175.290 175.290 176.721 -1.431 18916 6533 1 14 . 1 1 78 78 SER CA C 78 62.948 62.948 61.586 1.362 18916 6534 1 14 . 1 1 78 78 SER CB C 78 63.080 63.080 62.864 0.216 18916 6535 1 14 . 1 1 78 78 SER H H 78 7.056 7.056 7.474 -0.418 18916 6536 1 14 . 1 1 79 79 VAL N N 79 119.889 119.889 121.969 -2.080 18916 6537 1 14 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.555 -0.647 18916 6538 1 14 . 1 1 79 79 VAL C C 79 179.169 179.169 177.736 1.433 18916 6539 1 14 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.543 1.321 18916 6540 1 14 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.430 -0.600 18916 6541 1 14 . 1 1 79 79 VAL H H 79 7.596 7.596 7.930 -0.334 18916 6542 1 14 . 1 1 80 80 LYS N N 80 121.062 121.062 118.795 2.267 18916 6543 1 14 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.144 -0.254 18916 6544 1 14 . 1 1 80 80 LYS C C 80 178.806 178.806 178.169 0.637 18916 6545 1 14 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.232 1.547 18916 6546 1 14 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.523 -0.192 18916 6547 1 14 . 1 1 80 80 LYS H H 80 7.946 7.946 7.524 0.422 18916 6548 1 14 . 1 1 81 81 GLU N N 81 115.870 115.870 115.997 -0.127 18916 6549 1 14 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.347 -0.219 18916 6550 1 14 . 1 1 81 81 GLU C C 81 174.912 174.912 176.074 -1.162 18916 6551 1 14 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.694 0.776 18916 6552 1 14 . 1 1 81 81 GLU CB C 81 29.613 29.613 30.045 -0.432 18916 6553 1 14 . 1 1 81 81 GLU H H 81 8.063 8.063 7.921 0.142 18916 6554 1 14 . 1 1 82 82 ALA N N 82 122.380 122.380 120.794 1.586 18916 6555 1 14 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.934 -0.226 18916 6556 1 14 . 1 1 82 82 ALA C C 82 175.711 175.711 176.013 -0.302 18916 6557 1 14 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.322 -0.861 18916 6558 1 14 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.155 -0.574 18916 6559 1 14 . 1 1 82 82 ALA H H 82 7.931 7.931 7.789 0.142 18916 6560 1 14 . 1 1 83 83 ARG N N 83 115.619 115.619 115.147 0.472 18916 6561 1 14 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.690 -0.500 18916 6562 1 14 . 1 1 83 83 ARG C C 83 172.050 172.050 173.408 -1.358 18916 6563 1 14 . 1 1 83 83 ARG CA C 83 55.162 55.162 54.033 1.129 18916 6564 1 14 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.577 -0.222 18916 6565 1 14 . 1 1 83 83 ARG H H 83 8.165 8.165 7.708 0.457 18916 6566 1 14 . 1 1 84 84 LEU N N 84 120.648 120.648 121.059 -0.411 18916 6567 1 14 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.287 -0.571 18916 6568 1 14 . 1 1 84 84 LEU C C 84 176.917 176.917 175.648 1.269 18916 6569 1 14 . 1 1 84 84 LEU CA C 84 54.985 54.985 54.003 0.982 18916 6570 1 14 . 1 1 84 84 LEU CB C 84 41.311 41.311 42.771 -1.460 18916 6571 1 14 . 1 1 84 84 LEU H H 84 8.325 8.325 8.226 0.099 18916 6572 1 14 . 1 1 85 85 LEU N N 85 132.955 132.955 126.201 6.754 18916 6573 1 14 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.927 -0.330 18916 6574 1 14 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.204 2.444 18916 6575 1 14 . 1 1 85 85 LEU CB C 85 40.363 40.363 43.406 -3.043 18916 6576 1 14 . 1 1 85 85 LEU H H 85 7.946 7.946 8.144 -0.198 18916 6577 1 14 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.220 0.365 18916 6578 1 14 . 1 1 86 86 PRO C C 86 178.835 178.835 177.587 1.248 18916 6579 1 14 . 1 1 86 86 PRO CA C 86 63.775 63.775 62.769 1.006 18916 6580 1 14 . 1 1 86 86 PRO CB C 86 31.549 31.549 30.788 0.760 18916 6581 1 14 . 1 1 87 87 TRP N N 87 128.323 128.323 127.236 1.087 18916 6582 1 14 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.870 -0.235 18916 6583 1 14 . 1 1 87 87 TRP C C 87 177.963 177.963 177.507 0.456 18916 6584 1 14 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.301 0.252 18916 6585 1 14 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.766 -0.805 18916 6586 1 14 . 1 1 87 87 TRP H H 87 8.369 8.369 8.215 0.154 18916 6587 1 14 . 1 1 88 88 GLN N N 88 120.928 120.928 118.670 2.258 18916 6588 1 14 . 1 1 88 88 GLN HA H 88 2.905 2.905 4.021 -1.116 18916 6589 1 14 . 1 1 88 88 GLN C C 88 178.196 178.196 177.483 0.713 18916 6590 1 14 . 1 1 88 88 GLN CA C 88 59.922 59.922 58.129 1.793 18916 6591 1 14 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.383 -0.923 18916 6592 1 14 . 1 1 88 88 GLN H H 88 8.354 8.354 8.037 0.317 18916 6593 1 14 . 1 1 89 89 ASN N N 89 116.452 116.452 117.949 -1.497 18916 6594 1 14 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.514 -0.215 18916 6595 1 14 . 1 1 89 89 ASN C C 89 174.752 174.752 176.135 -1.383 18916 6596 1 14 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.785 -0.653 18916 6597 1 14 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.749 -1.388 18916 6598 1 14 . 1 1 89 89 ASN H H 89 7.304 7.304 7.756 -0.452 18916 6599 1 14 . 1 1 90 90 TYR N N 90 118.336 118.336 115.540 2.796 18916 6600 1 14 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.633 -0.019 18916 6601 1 14 . 1 1 90 90 TYR C C 90 174.534 174.534 175.068 -0.534 18916 6602 1 14 . 1 1 90 90 TYR CA C 90 57.534 57.534 56.610 0.924 18916 6603 1 14 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.711 1.442 18916 6604 1 14 . 1 1 90 90 TYR H H 90 8.048 8.048 7.561 0.487 18916 6605 1 14 . 1 1 91 91 SER N N 91 114.053 114.053 116.420 -2.367 18916 6606 1 14 . 1 1 91 91 SER HA H 91 5.015 5.015 4.684 0.331 18916 6607 1 14 . 1 1 91 91 SER C C 91 176.205 176.205 175.825 0.380 18916 6608 1 14 . 1 1 91 91 SER CA C 91 58.037 58.037 58.520 -0.483 18916 6609 1 14 . 1 1 91 91 SER CB C 91 64.342 64.342 62.964 1.378 18916 6610 1 14 . 1 1 91 91 SER H H 91 7.012 7.012 7.441 -0.429 18916 6611 1 14 . 1 1 92 92 LEU N N 92 126.106 126.106 128.860 -2.754 18916 6612 1 14 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.328 0.277 18916 6613 1 14 . 1 1 92 92 LEU C C 92 177.687 177.687 178.163 -0.476 18916 6614 1 14 . 1 1 92 92 LEU CA C 92 55.405 55.405 56.444 -1.039 18916 6615 1 14 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.873 1.014 18916 6616 1 14 . 1 1 92 92 LEU H H 92 8.777 8.777 8.379 0.398 18916 6617 1 14 . 1 1 93 93 THR N N 93 112.458 112.458 108.499 3.959 18916 6618 1 14 . 1 1 93 93 THR HA H 93 4.489 4.489 4.198 0.291 18916 6619 1 14 . 1 1 93 93 THR C C 93 173.851 173.851 175.297 -1.446 18916 6620 1 14 . 1 1 93 93 THR CA C 93 61.318 61.318 63.879 -2.561 18916 6621 1 14 . 1 1 93 93 THR CB C 93 69.853 69.853 69.248 0.605 18916 6622 1 14 . 1 1 93 93 THR H H 93 8.252 8.252 7.880 0.372 18916 6623 1 15 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.319 -0.537 18916 6624 1 15 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.553 1.325 18916 6625 1 15 . 1 1 4 4 GLN CB C 4 29.441 29.441 28.236 1.205 18916 6626 1 15 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.460 0.094 18916 6627 1 15 . 1 1 7 7 LYS C C 7 178.298 178.298 177.356 0.942 18916 6628 1 15 . 1 1 7 7 LYS CA C 7 54.750 54.750 56.331 -1.581 18916 6629 1 15 . 1 1 7 7 LYS CB C 7 32.593 32.593 30.276 2.317 18916 6630 1 15 . 1 1 8 8 ILE N N 8 119.676 119.676 121.592 -1.916 18916 6631 1 15 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.589 -0.005 18916 6632 1 15 . 1 1 8 8 ILE C C 8 177.164 177.164 176.298 0.866 18916 6633 1 15 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.171 1.741 18916 6634 1 15 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.553 1.421 18916 6635 1 15 . 1 1 8 8 ILE H H 8 7.633 7.633 7.756 -0.123 18916 6636 1 15 . 1 1 9 9 PHE N N 9 113.639 113.639 112.195 1.444 18916 6637 1 15 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.788 0.124 18916 6638 1 15 . 1 1 9 9 PHE C C 9 174.520 174.520 175.647 -1.127 18916 6639 1 15 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.928 0.112 18916 6640 1 15 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.421 -0.707 18916 6641 1 15 . 1 1 9 9 PHE H H 9 8.403 8.403 7.852 0.551 18916 6642 1 15 . 1 1 10 10 LYS N N 10 120.104 120.104 122.263 -2.159 18916 6643 1 15 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.306 -0.163 18916 6644 1 15 . 1 1 10 10 LYS C C 10 177.600 177.600 178.238 -0.638 18916 6645 1 15 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.645 -0.137 18916 6646 1 15 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.300 0.140 18916 6647 1 15 . 1 1 10 10 LYS H H 10 7.328 7.328 7.426 -0.098 18916 6648 1 15 . 1 1 11 11 ASN N N 11 116.960 116.960 115.076 1.884 18916 6649 1 15 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.683 -0.138 18916 6650 1 15 . 1 1 11 11 ASN C C 11 175.566 175.566 175.324 0.242 18916 6651 1 15 . 1 1 11 11 ASN CA C 11 55.479 55.479 53.909 1.570 18916 6652 1 15 . 1 1 11 11 ASN CB C 11 37.528 37.528 39.561 -2.033 18916 6653 1 15 . 1 1 11 11 ASN H H 11 8.984 8.984 8.872 0.112 18916 6654 1 15 . 1 1 12 12 CYS N N 12 118.344 118.344 120.404 -2.060 18916 6655 1 15 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.666 0.460 18916 6656 1 15 . 1 1 12 12 CYS C C 12 175.014 175.014 173.620 1.394 18916 6657 1 15 . 1 1 12 12 CYS CA C 12 59.549 59.549 58.225 1.324 18916 6658 1 15 . 1 1 12 12 CYS CB C 12 29.319 29.319 29.490 -0.171 18916 6659 1 15 . 1 1 12 12 CYS H H 12 8.460 8.460 7.668 0.792 18916 6660 1 15 . 1 1 13 13 VAL N N 13 128.765 128.765 125.423 3.342 18916 6661 1 15 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.557 -0.168 18916 6662 1 15 . 1 1 13 13 VAL C C 13 174.912 174.912 174.825 0.087 18916 6663 1 15 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.769 0.525 18916 6664 1 15 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.829 0.639 18916 6665 1 15 . 1 1 13 13 VAL H H 13 9.878 9.878 8.824 1.054 18916 6666 1 15 . 1 1 14 14 ILE N N 14 128.270 128.270 126.576 1.694 18916 6667 1 15 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.293 -0.093 18916 6668 1 15 . 1 1 14 14 ILE C C 14 174.098 174.098 175.495 -1.397 18916 6669 1 15 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.627 0.677 18916 6670 1 15 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.632 0.912 18916 6671 1 15 . 1 1 14 14 ILE H H 14 8.841 8.841 8.554 0.287 18916 6672 1 15 . 1 1 15 15 TYR N N 15 125.475 125.475 129.679 -4.204 18916 6673 1 15 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.491 -0.382 18916 6674 1 15 . 1 1 15 15 TYR C C 15 173.023 173.023 173.918 -0.895 18916 6675 1 15 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.775 0.111 18916 6676 1 15 . 1 1 15 15 TYR CB C 15 42.813 42.813 41.058 1.755 18916 6677 1 15 . 1 1 15 15 TYR H H 15 8.023 8.023 8.741 -0.718 18916 6678 1 15 . 1 1 16 16 ILE N N 16 128.262 128.262 128.277 -0.015 18916 6679 1 15 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.321 0.046 18916 6680 1 15 . 1 1 16 16 ILE C C 16 173.895 173.895 174.370 -0.475 18916 6681 1 15 . 1 1 16 16 ILE CA C 16 59.688 59.688 60.175 -0.487 18916 6682 1 15 . 1 1 16 16 ILE CB C 16 36.912 36.912 39.135 -2.223 18916 6683 1 15 . 1 1 16 16 ILE H H 16 8.708 8.708 8.424 0.284 18916 6684 1 15 . 1 1 17 17 ASN N N 17 126.842 126.842 124.391 2.451 18916 6685 1 15 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.715 -0.054 18916 6686 1 15 . 1 1 17 17 ASN C C 17 174.171 174.171 174.818 -0.647 18916 6687 1 15 . 1 1 17 17 ASN CA C 17 52.887 52.887 52.074 0.813 18916 6688 1 15 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.839 1.105 18916 6689 1 15 . 1 1 17 17 ASN H H 17 8.974 8.974 8.561 0.413 18916 6690 1 15 . 1 1 18 18 GLY N N 18 113.508 113.508 111.946 1.562 18916 6691 1 15 . 1 1 18 18 GLY C C 18 172.529 172.529 173.475 -0.946 18916 6692 1 15 . 1 1 18 18 GLY CA C 18 45.185 45.185 45.098 0.087 18916 6693 1 15 . 1 1 18 18 GLY H H 18 8.727 8.727 8.321 0.406 18916 6694 1 15 . 1 1 19 19 TYR N N 19 121.021 121.021 123.148 -2.127 18916 6695 1 15 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.655 -0.205 18916 6696 1 15 . 1 1 19 19 TYR C C 19 176.147 176.147 175.078 1.069 18916 6697 1 15 . 1 1 19 19 TYR CA C 19 58.982 58.982 57.484 1.498 18916 6698 1 15 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.548 0.153 18916 6699 1 15 . 1 1 19 19 TYR H H 19 8.651 8.651 8.470 0.181 18916 6700 1 15 . 1 1 20 20 THR N N 20 117.677 117.677 115.339 2.338 18916 6701 1 15 . 1 1 20 20 THR HA H 20 4.279 4.279 4.632 -0.353 18916 6702 1 15 . 1 1 20 20 THR C C 20 171.803 171.803 173.280 -1.477 18916 6703 1 15 . 1 1 20 20 THR CA C 20 59.986 59.986 60.515 -0.529 18916 6704 1 15 . 1 1 20 20 THR CB C 20 73.362 73.362 71.051 2.311 18916 6705 1 15 . 1 1 20 20 THR H H 20 7.242 7.242 8.404 -1.162 18916 6706 1 15 . 1 1 21 21 LYS N N 21 120.592 120.592 124.746 -4.154 18916 6707 1 15 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.777 -0.730 18916 6708 1 15 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.402 1.628 18916 6709 1 15 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.630 2.196 18916 6710 1 15 . 1 1 21 21 LYS H H 21 7.718 7.718 8.482 -0.764 18916 6711 1 15 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.487 0.103 18916 6712 1 15 . 1 1 22 22 PRO C C 22 175.043 175.043 176.860 -1.817 18916 6713 1 15 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.519 0.429 18916 6714 1 15 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.818 1.722 18916 6715 1 15 . 1 1 23 23 GLY N N 23 105.352 105.352 106.313 -0.961 18916 6716 1 15 . 1 1 23 23 GLY C C 23 172.762 172.762 175.686 -2.924 18916 6717 1 15 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.787 0.093 18916 6718 1 15 . 1 1 23 23 GLY H H 23 8.356 8.356 8.639 -0.283 18916 6719 1 15 . 1 1 24 24 ARG N N 24 119.274 119.274 123.574 -4.300 18916 6720 1 15 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.650 -0.375 18916 6721 1 15 . 1 1 24 24 ARG C C 24 176.263 176.263 178.073 -1.810 18916 6722 1 15 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.763 1.157 18916 6723 1 15 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.552 0.778 18916 6724 1 15 . 1 1 24 24 ARG H H 24 7.813 7.813 8.759 -0.946 18916 6725 1 15 . 1 1 25 25 LEU N N 25 116.403 116.403 116.411 -0.008 18916 6726 1 15 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.272 -0.582 18916 6727 1 15 . 1 1 25 25 LEU C C 25 179.562 179.562 178.675 0.887 18916 6728 1 15 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.439 0.952 18916 6729 1 15 . 1 1 25 25 LEU CB C 25 40.844 40.844 41.064 -0.220 18916 6730 1 15 . 1 1 25 25 LEU H H 25 8.156 8.156 7.914 0.242 18916 6731 1 15 . 1 1 26 26 GLN N N 26 118.294 118.294 119.192 -0.898 18916 6732 1 15 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.028 -0.062 18916 6733 1 15 . 1 1 26 26 GLN C C 26 179.358 179.358 178.553 0.805 18916 6734 1 15 . 1 1 26 26 GLN CA C 26 59.322 59.322 58.565 0.757 18916 6735 1 15 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.724 -0.668 18916 6736 1 15 . 1 1 26 26 GLN H H 26 7.423 7.423 7.502 -0.079 18916 6737 1 15 . 1 1 27 27 LEU N N 27 119.419 119.419 119.500 -0.081 18916 6738 1 15 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.805 0.123 18916 6739 1 15 . 1 1 27 27 LEU C C 27 178.777 178.777 179.117 -0.340 18916 6740 1 15 . 1 1 27 27 LEU CA C 27 58.024 58.024 57.870 0.154 18916 6741 1 15 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.547 0.343 18916 6742 1 15 . 1 1 27 27 LEU H H 27 8.127 8.127 7.872 0.255 18916 6743 1 15 . 1 1 28 28 HIS N N 28 118.332 118.332 117.418 0.914 18916 6744 1 15 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.992 -0.250 18916 6745 1 15 . 1 1 28 28 HIS C C 28 177.121 177.121 177.814 -0.693 18916 6746 1 15 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.317 -1.519 18916 6747 1 15 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.454 -0.013 18916 6748 1 15 . 1 1 28 28 HIS H H 28 8.727 8.727 7.825 0.902 18916 6749 1 15 . 1 1 29 29 GLU N N 29 116.699 116.699 119.521 -2.822 18916 6750 1 15 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.988 -0.010 18916 6751 1 15 . 1 1 29 29 GLU C C 29 178.951 178.951 178.869 0.082 18916 6752 1 15 . 1 1 29 29 GLU CA C 29 59.276 59.276 58.917 0.359 18916 6753 1 15 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.041 0.643 18916 6754 1 15 . 1 1 29 29 GLU H H 29 7.518 7.518 7.986 -0.468 18916 6755 1 15 . 1 1 30 30 MET N N 30 118.090 118.090 118.469 -0.379 18916 6756 1 15 . 1 1 30 30 MET HA H 30 4.055 4.055 4.020 0.035 18916 6757 1 15 . 1 1 30 30 MET C C 30 177.992 177.992 178.722 -0.730 18916 6758 1 15 . 1 1 30 30 MET CA C 30 60.040 60.040 59.029 1.011 18916 6759 1 15 . 1 1 30 30 MET CB C 30 34.522 34.522 32.325 2.197 18916 6760 1 15 . 1 1 30 30 MET H H 30 7.766 7.766 7.846 -0.080 18916 6761 1 15 . 1 1 31 31 ILE N N 31 118.458 118.458 118.905 -0.447 18916 6762 1 15 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.252 -0.000 18916 6763 1 15 . 1 1 31 31 ILE C C 31 178.007 178.007 177.956 0.051 18916 6764 1 15 . 1 1 31 31 ILE CA C 31 64.891 64.891 64.998 -0.107 18916 6765 1 15 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.544 0.638 18916 6766 1 15 . 1 1 31 31 ILE H H 31 8.337 8.337 7.348 0.989 18916 6767 1 15 . 1 1 32 32 VAL N N 32 117.878 117.878 120.601 -2.723 18916 6768 1 15 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.154 -0.151 18916 6769 1 15 . 1 1 32 32 VAL C C 32 180.884 180.884 178.806 2.078 18916 6770 1 15 . 1 1 32 32 VAL CA C 32 65.376 65.376 66.405 -1.029 18916 6771 1 15 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.783 0.214 18916 6772 1 15 . 1 1 32 32 VAL H H 32 7.888 7.888 7.973 -0.085 18916 6773 1 15 . 1 1 33 33 LEU N N 33 123.609 123.609 118.668 4.941 18916 6774 1 15 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.163 -0.090 18916 6775 1 15 . 1 1 33 33 LEU C C 33 177.498 177.498 177.519 -0.021 18916 6776 1 15 . 1 1 33 33 LEU CA C 33 57.662 57.662 56.999 0.663 18916 6777 1 15 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.452 1.838 18916 6778 1 15 . 1 1 33 33 LEU H H 33 8.281 8.281 8.091 0.190 18916 6779 1 15 . 1 1 34 34 HIS N N 34 113.272 113.272 115.507 -2.235 18916 6780 1 15 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.787 -0.072 18916 6781 1 15 . 1 1 34 34 HIS C C 34 175.464 175.464 175.239 0.225 18916 6782 1 15 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.180 1.216 18916 6783 1 15 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.538 0.230 18916 6784 1 15 . 1 1 34 34 HIS H H 34 7.319 7.319 7.724 -0.405 18916 6785 1 15 . 1 1 35 35 GLY N N 35 104.307 104.307 106.927 -2.620 18916 6786 1 15 . 1 1 35 35 GLY C C 35 174.985 174.985 174.778 0.207 18916 6787 1 15 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.726 1.588 18916 6788 1 15 . 1 1 35 35 GLY H H 35 7.392 7.392 7.985 -0.593 18916 6789 1 15 . 1 1 36 36 GLY N N 36 108.630 108.630 107.739 0.891 18916 6790 1 15 . 1 1 36 36 GLY C C 36 171.701 171.701 172.786 -1.085 18916 6791 1 15 . 1 1 36 36 GLY CA C 36 44.392 44.392 43.878 0.514 18916 6792 1 15 . 1 1 36 36 GLY H H 36 8.763 8.763 8.145 0.618 18916 6793 1 15 . 1 1 37 37 LYS N N 37 115.119 115.119 121.611 -6.492 18916 6794 1 15 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.853 -0.239 18916 6795 1 15 . 1 1 37 37 LYS C C 37 174.302 174.302 175.175 -0.873 18916 6796 1 15 . 1 1 37 37 LYS CA C 37 54.319 54.319 53.889 0.430 18916 6797 1 15 . 1 1 37 37 LYS CB C 37 37.250 37.250 35.872 1.378 18916 6798 1 15 . 1 1 37 37 LYS H H 37 7.406 7.406 8.081 -0.675 18916 6799 1 15 . 1 1 38 38 PHE N N 38 117.196 117.196 120.389 -3.193 18916 6800 1 15 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.307 0.581 18916 6801 1 15 . 1 1 38 38 PHE C C 38 173.604 173.604 173.740 -0.136 18916 6802 1 15 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.064 -0.212 18916 6803 1 15 . 1 1 38 38 PHE CB C 38 43.379 43.379 42.026 1.353 18916 6804 1 15 . 1 1 38 38 PHE H H 38 7.844 7.844 8.055 -0.211 18916 6805 1 15 . 1 1 39 39 LEU N N 39 119.576 119.576 122.059 -2.483 18916 6806 1 15 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.789 -0.185 18916 6807 1 15 . 1 1 39 39 LEU CA C 39 52.661 52.661 52.564 0.097 18916 6808 1 15 . 1 1 39 39 LEU CB C 39 45.901 45.901 45.948 -0.047 18916 6809 1 15 . 1 1 39 39 LEU H H 39 8.223 8.223 8.675 -0.452 18916 6810 1 15 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.623 0.016 18916 6811 1 15 . 1 1 40 40 HIS C C 40 174.694 174.694 174.539 0.155 18916 6812 1 15 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.180 1.490 18916 6813 1 15 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.673 1.217 18916 6814 1 15 . 1 1 41 41 TYR N N 41 115.005 115.005 116.617 -1.612 18916 6815 1 15 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.456 0.204 18916 6816 1 15 . 1 1 41 41 TYR C C 41 173.023 173.023 173.868 -0.845 18916 6817 1 15 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.112 -1.214 18916 6818 1 15 . 1 1 41 41 TYR CB C 41 40.313 40.313 40.778 -0.465 18916 6819 1 15 . 1 1 41 41 TYR H H 41 7.363 7.363 7.770 -0.407 18916 6820 1 15 . 1 1 42 42 LEU N N 42 121.687 121.687 124.251 -2.564 18916 6821 1 15 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.268 -0.380 18916 6822 1 15 . 1 1 42 42 LEU CA C 42 54.041 54.041 54.556 -0.514 18916 6823 1 15 . 1 1 42 42 LEU CB C 42 41.096 41.096 39.440 1.656 18916 6824 1 15 . 1 1 42 42 LEU H H 42 8.252 8.252 7.442 0.810 18916 6825 1 15 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.485 -0.251 18916 6826 1 15 . 1 1 46 46 LYS CA C 46 56.885 56.885 57.102 -0.217 18916 6827 1 15 . 1 1 46 46 LYS CB C 46 32.542 32.542 31.091 1.451 18916 6828 1 15 . 1 1 47 47 THR HA H 47 4.168 4.168 4.203 -0.035 18916 6829 1 15 . 1 1 47 47 THR C C 47 174.186 174.186 174.665 -0.479 18916 6830 1 15 . 1 1 47 47 THR CA C 47 62.706 62.706 63.876 -1.170 18916 6831 1 15 . 1 1 47 47 THR CB C 47 69.762 69.762 69.388 0.374 18916 6832 1 15 . 1 1 48 48 VAL N N 48 123.218 123.218 119.762 3.456 18916 6833 1 15 . 1 1 48 48 VAL HA H 48 3.843 3.843 3.990 -0.147 18916 6834 1 15 . 1 1 48 48 VAL C C 48 174.985 174.985 175.280 -0.295 18916 6835 1 15 . 1 1 48 48 VAL CA C 48 62.146 62.146 62.010 0.136 18916 6836 1 15 . 1 1 48 48 VAL CB C 48 33.167 33.167 32.994 0.173 18916 6837 1 15 . 1 1 48 48 VAL H H 48 7.771 7.771 7.769 0.002 18916 6838 1 15 . 1 1 49 49 THR N N 49 116.982 116.982 119.656 -2.674 18916 6839 1 15 . 1 1 49 49 THR HA H 49 4.319 4.319 4.575 -0.256 18916 6840 1 15 . 1 1 49 49 THR C C 49 176.118 176.118 173.999 2.119 18916 6841 1 15 . 1 1 49 49 THR CA C 49 62.831 62.831 61.539 1.292 18916 6842 1 15 . 1 1 49 49 THR CB C 49 69.114 69.114 70.132 -1.018 18916 6843 1 15 . 1 1 49 49 THR H H 49 9.798 9.798 8.268 1.530 18916 6844 1 15 . 1 1 50 50 HIS N N 50 121.799 121.799 119.737 2.062 18916 6845 1 15 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.314 -0.398 18916 6846 1 15 . 1 1 50 50 HIS C C 50 172.849 172.849 173.470 -0.621 18916 6847 1 15 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.041 2.614 18916 6848 1 15 . 1 1 50 50 HIS CB C 50 34.649 34.649 33.445 1.204 18916 6849 1 15 . 1 1 50 50 HIS H H 50 7.596 7.596 7.825 -0.229 18916 6850 1 15 . 1 1 51 51 ILE N N 51 123.013 123.013 123.967 -0.954 18916 6851 1 15 . 1 1 51 51 ILE HA H 51 4.980 4.980 5.079 -0.099 18916 6852 1 15 . 1 1 51 51 ILE C C 51 174.505 174.505 174.788 -0.283 18916 6853 1 15 . 1 1 51 51 ILE CA C 51 58.967 58.967 59.931 -0.964 18916 6854 1 15 . 1 1 51 51 ILE CB C 51 39.153 39.153 41.088 -1.935 18916 6855 1 15 . 1 1 51 51 ILE H H 51 8.996 8.996 8.195 0.801 18916 6856 1 15 . 1 1 52 52 VAL N N 52 127.413 127.413 126.097 1.316 18916 6857 1 15 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.992 0.310 18916 6858 1 15 . 1 1 52 52 VAL C C 52 174.084 174.084 174.274 -0.190 18916 6859 1 15 . 1 1 52 52 VAL CA C 52 59.207 59.207 60.773 -1.566 18916 6860 1 15 . 1 1 52 52 VAL CB C 52 33.259 33.259 33.074 0.185 18916 6861 1 15 . 1 1 52 52 VAL H H 52 8.821 8.821 8.584 0.237 18916 6862 1 15 . 1 1 53 53 ALA N N 53 127.601 127.601 129.324 -1.723 18916 6863 1 15 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.255 -0.633 18916 6864 1 15 . 1 1 53 53 ALA C C 53 174.680 174.680 175.638 -0.958 18916 6865 1 15 . 1 1 53 53 ALA CA C 53 50.910 50.910 51.021 -0.111 18916 6866 1 15 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.883 0.277 18916 6867 1 15 . 1 1 53 53 ALA H H 53 8.967 8.967 8.605 0.362 18916 6868 1 15 . 1 1 54 54 SER N N 54 113.005 113.005 115.432 -2.427 18916 6869 1 15 . 1 1 54 54 SER HA H 54 4.657 4.657 4.604 0.053 18916 6870 1 15 . 1 1 54 54 SER C C 54 174.229 174.229 174.901 -0.672 18916 6871 1 15 . 1 1 54 54 SER CA C 54 59.671 59.671 59.110 0.561 18916 6872 1 15 . 1 1 54 54 SER CB C 54 64.852 64.852 64.022 0.830 18916 6873 1 15 . 1 1 54 54 SER H H 54 9.303 9.303 8.921 0.382 18916 6874 1 15 . 1 1 55 55 ASN N N 55 117.475 117.475 120.896 -3.421 18916 6875 1 15 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.905 -0.304 18916 6876 1 15 . 1 1 55 55 ASN C C 55 173.052 173.052 173.745 -0.693 18916 6877 1 15 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.829 0.296 18916 6878 1 15 . 1 1 55 55 ASN CB C 55 40.610 40.610 38.721 1.889 18916 6879 1 15 . 1 1 55 55 ASN H H 55 7.917 7.917 8.481 -0.564 18916 6880 1 15 . 1 1 56 56 LEU N N 56 122.146 122.146 125.864 -3.718 18916 6881 1 15 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.817 -0.017 18916 6882 1 15 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.393 0.512 18916 6883 1 15 . 1 1 56 56 LEU CB C 56 44.592 44.592 43.171 1.421 18916 6884 1 15 . 1 1 56 56 LEU H H 56 8.792 8.792 8.265 0.527 18916 6885 1 15 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.494 0.071 18916 6886 1 15 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.901 -0.711 18916 6887 1 15 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.680 -0.181 18916 6888 1 15 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.912 0.008 18916 6889 1 15 . 1 1 58 58 LEU C C 58 178.806 178.806 178.697 0.109 18916 6890 1 15 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.412 0.760 18916 6891 1 15 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.593 -0.004 18916 6892 1 15 . 1 1 59 59 LYS N N 59 115.039 115.039 119.370 -4.331 18916 6893 1 15 . 1 1 59 59 LYS HA H 59 3.972 3.972 3.991 -0.019 18916 6894 1 15 . 1 1 59 59 LYS C C 59 179.053 179.053 178.942 0.111 18916 6895 1 15 . 1 1 59 59 LYS CA C 59 59.524 59.524 59.327 0.197 18916 6896 1 15 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.679 0.732 18916 6897 1 15 . 1 1 59 59 LYS H H 59 8.763 8.763 8.488 0.275 18916 6898 1 15 . 1 1 60 60 LYS N N 60 116.433 116.433 117.967 -1.534 18916 6899 1 15 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.954 0.006 18916 6900 1 15 . 1 1 60 60 LYS C C 60 176.874 176.874 179.271 -2.397 18916 6901 1 15 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.225 -2.504 18916 6902 1 15 . 1 1 60 60 LYS CB C 60 31.933 31.933 32.052 -0.119 18916 6903 1 15 . 1 1 60 60 LYS H H 60 7.158 7.158 7.510 -0.352 18916 6904 1 15 . 1 1 61 61 ARG N N 61 120.369 120.369 119.795 0.574 18916 6905 1 15 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.222 -0.398 18916 6906 1 15 . 1 1 61 61 ARG C C 61 179.213 179.213 178.043 1.170 18916 6907 1 15 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.390 0.424 18916 6908 1 15 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.249 -0.379 18916 6909 1 15 . 1 1 61 61 ARG H H 61 7.902 7.902 7.963 -0.061 18916 6910 1 15 . 1 1 62 62 ILE N N 62 117.956 117.956 118.480 -0.524 18916 6911 1 15 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.826 -0.018 18916 6912 1 15 . 1 1 62 62 ILE C C 62 178.966 178.966 178.887 0.079 18916 6913 1 15 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.387 -0.225 18916 6914 1 15 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.825 0.194 18916 6915 1 15 . 1 1 62 62 ILE H H 62 7.727 7.727 7.608 0.119 18916 6916 1 15 . 1 1 63 63 GLU N N 63 121.877 121.877 121.075 0.802 18916 6917 1 15 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.006 -0.056 18916 6918 1 15 . 1 1 63 63 GLU C C 63 178.792 178.792 177.952 0.840 18916 6919 1 15 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.981 0.321 18916 6920 1 15 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.593 0.229 18916 6921 1 15 . 1 1 63 63 GLU H H 63 7.713 7.713 7.931 -0.218 18916 6922 1 15 . 1 1 64 64 PHE N N 64 115.684 115.684 116.207 -0.523 18916 6923 1 15 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.752 0.326 18916 6924 1 15 . 1 1 64 64 PHE C C 64 175.886 175.886 174.879 1.007 18916 6925 1 15 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.145 -1.286 18916 6926 1 15 . 1 1 64 64 PHE CB C 64 37.431 37.431 38.094 -0.664 18916 6927 1 15 . 1 1 64 64 PHE H H 64 8.077 8.077 7.749 0.328 18916 6928 1 15 . 1 1 65 65 ALA N N 65 122.616 122.616 122.065 0.551 18916 6929 1 15 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.189 -0.025 18916 6930 1 15 . 1 1 65 65 ALA C C 65 178.356 178.356 178.834 -0.478 18916 6931 1 15 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.260 1.161 18916 6932 1 15 . 1 1 65 65 ALA CB C 65 19.243 19.243 19.242 0.001 18916 6933 1 15 . 1 1 65 65 ALA H H 65 7.290 7.290 7.208 0.082 18916 6934 1 15 . 1 1 66 66 ASN N N 66 112.567 112.567 115.707 -3.140 18916 6935 1 15 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.418 0.187 18916 6936 1 15 . 1 1 66 66 ASN C C 66 174.374 174.374 175.324 -0.950 18916 6937 1 15 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.758 -1.404 18916 6938 1 15 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.577 -0.658 18916 6939 1 15 . 1 1 66 66 ASN H H 66 8.602 8.602 8.404 0.198 18916 6940 1 15 . 1 1 67 67 TYR N N 67 118.682 118.682 117.143 1.539 18916 6941 1 15 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.412 0.116 18916 6942 1 15 . 1 1 67 67 TYR C C 67 175.072 175.072 174.848 0.224 18916 6943 1 15 . 1 1 67 67 TYR CA C 67 56.641 56.641 57.459 -0.818 18916 6944 1 15 . 1 1 67 67 TYR CB C 67 40.822 40.822 40.115 0.707 18916 6945 1 15 . 1 1 67 67 TYR H H 67 7.873 7.873 7.079 0.794 18916 6946 1 15 . 1 1 68 68 LYS N N 68 121.419 121.419 119.898 1.521 18916 6947 1 15 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.773 -0.973 18916 6948 1 15 . 1 1 68 68 LYS C C 68 174.491 174.491 175.771 -1.280 18916 6949 1 15 . 1 1 68 68 LYS CA C 68 56.246 56.246 54.262 1.984 18916 6950 1 15 . 1 1 68 68 LYS CB C 68 32.664 32.664 32.538 0.126 18916 6951 1 15 . 1 1 68 68 LYS H H 68 7.771 7.771 8.417 -0.646 18916 6952 1 15 . 1 1 69 69 VAL N N 69 126.113 126.113 125.816 0.297 18916 6953 1 15 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.655 0.527 18916 6954 1 15 . 1 1 69 69 VAL C C 69 176.365 176.365 176.261 0.104 18916 6955 1 15 . 1 1 69 69 VAL CA C 69 60.879 60.879 62.893 -2.014 18916 6956 1 15 . 1 1 69 69 VAL CB C 69 32.355 32.355 31.844 0.511 18916 6957 1 15 . 1 1 69 69 VAL H H 69 8.384 8.384 8.371 0.013 18916 6958 1 15 . 1 1 70 70 VAL N N 70 120.358 120.358 120.422 -0.064 18916 6959 1 15 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.132 0.245 18916 6960 1 15 . 1 1 70 70 VAL C C 70 174.040 174.040 175.194 -1.154 18916 6961 1 15 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.522 -0.673 18916 6962 1 15 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.547 1.206 18916 6963 1 15 . 1 1 70 70 VAL H H 70 9.390 9.390 9.166 0.224 18916 6964 1 15 . 1 1 71 71 SER N N 71 114.634 114.634 115.642 -1.008 18916 6965 1 15 . 1 1 71 71 SER HA H 71 5.630 5.630 5.599 0.031 18916 6966 1 15 . 1 1 71 71 SER CA C 71 60.584 60.584 55.937 4.647 18916 6967 1 15 . 1 1 71 71 SER CB C 71 60.367 60.367 62.767 -2.400 18916 6968 1 15 . 1 1 71 71 SER H H 71 8.354 8.354 8.252 0.102 18916 6969 1 15 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.266 -0.130 18916 6970 1 15 . 1 1 72 72 PRO C C 72 177.193 177.193 177.756 -0.563 18916 6971 1 15 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.436 -0.374 18916 6972 1 15 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.642 0.697 18916 6973 1 15 . 1 1 73 73 ASP N N 73 115.868 115.868 117.490 -1.622 18916 6974 1 15 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.349 -0.147 18916 6975 1 15 . 1 1 73 73 ASP C C 73 175.450 175.450 177.701 -2.251 18916 6976 1 15 . 1 1 73 73 ASP CA C 73 56.426 56.426 57.879 -1.453 18916 6977 1 15 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.985 -0.630 18916 6978 1 15 . 1 1 73 73 ASP H H 73 8.427 8.427 8.634 -0.207 18916 6979 1 15 . 1 1 74 74 TRP N N 74 121.252 121.252 122.291 -1.039 18916 6980 1 15 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.227 -0.609 18916 6981 1 15 . 1 1 74 74 TRP C C 74 178.472 178.472 177.573 0.899 18916 6982 1 15 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.469 -0.454 18916 6983 1 15 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.060 -0.330 18916 6984 1 15 . 1 1 74 74 TRP H H 74 7.833 7.833 7.590 0.243 18916 6985 1 15 . 1 1 75 75 ILE N N 75 116.185 116.185 118.940 -2.755 18916 6986 1 15 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.562 -0.318 18916 6987 1 15 . 1 1 75 75 ILE C C 75 176.728 176.728 177.822 -1.094 18916 6988 1 15 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.487 -1.592 18916 6989 1 15 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.581 -0.360 18916 6990 1 15 . 1 1 75 75 ILE H H 75 6.969 6.969 7.419 -0.450 18916 6991 1 15 . 1 1 76 76 VAL N N 76 117.042 117.042 121.054 -4.012 18916 6992 1 15 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.510 -0.314 18916 6993 1 15 . 1 1 76 76 VAL C C 76 178.675 178.675 178.261 0.414 18916 6994 1 15 . 1 1 76 76 VAL CA C 76 66.945 66.945 66.626 0.319 18916 6995 1 15 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.599 1.046 18916 6996 1 15 . 1 1 76 76 VAL H H 76 7.056 7.056 7.985 -0.929 18916 6997 1 15 . 1 1 77 77 ASP N N 77 120.009 120.009 118.677 1.332 18916 6998 1 15 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.407 -0.103 18916 6999 1 15 . 1 1 77 77 ASP C C 77 178.515 178.515 178.377 0.138 18916 7000 1 15 . 1 1 77 77 ASP CA C 77 56.998 56.998 56.967 0.031 18916 7001 1 15 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.800 -1.950 18916 7002 1 15 . 1 1 77 77 ASP H H 77 9.171 9.171 7.936 1.235 18916 7003 1 15 . 1 1 78 78 SER N N 78 117.973 117.973 116.392 1.581 18916 7004 1 15 . 1 1 78 78 SER HA H 78 4.391 4.391 4.155 0.236 18916 7005 1 15 . 1 1 78 78 SER C C 78 175.290 175.290 176.260 -0.970 18916 7006 1 15 . 1 1 78 78 SER CA C 78 62.948 62.948 61.970 0.978 18916 7007 1 15 . 1 1 78 78 SER CB C 78 63.080 63.080 62.981 0.099 18916 7008 1 15 . 1 1 78 78 SER H H 78 7.056 7.056 7.624 -0.568 18916 7009 1 15 . 1 1 79 79 VAL N N 79 119.889 119.889 121.216 -1.327 18916 7010 1 15 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.745 -0.837 18916 7011 1 15 . 1 1 79 79 VAL C C 79 179.169 179.169 177.585 1.584 18916 7012 1 15 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.938 0.926 18916 7013 1 15 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.540 -0.710 18916 7014 1 15 . 1 1 79 79 VAL H H 79 7.596 7.596 7.486 0.110 18916 7015 1 15 . 1 1 80 80 LYS N N 80 121.062 121.062 119.544 1.518 18916 7016 1 15 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.047 -0.157 18916 7017 1 15 . 1 1 80 80 LYS C C 80 178.806 178.806 178.572 0.234 18916 7018 1 15 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.996 0.783 18916 7019 1 15 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.422 -0.091 18916 7020 1 15 . 1 1 80 80 LYS H H 80 7.946 7.946 7.688 0.258 18916 7021 1 15 . 1 1 81 81 GLU N N 81 115.870 115.870 116.377 -0.507 18916 7022 1 15 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.309 -0.181 18916 7023 1 15 . 1 1 81 81 GLU C C 81 174.912 174.912 176.703 -1.791 18916 7024 1 15 . 1 1 81 81 GLU CA C 81 56.470 56.470 56.062 0.408 18916 7025 1 15 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.559 0.054 18916 7026 1 15 . 1 1 81 81 GLU H H 81 8.063 8.063 7.910 0.153 18916 7027 1 15 . 1 1 82 82 ALA N N 82 122.380 122.380 120.018 2.362 18916 7028 1 15 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.974 -0.266 18916 7029 1 15 . 1 1 82 82 ALA C C 82 175.711 175.711 176.455 -0.744 18916 7030 1 15 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.114 -0.653 18916 7031 1 15 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.561 -0.980 18916 7032 1 15 . 1 1 82 82 ALA H H 82 7.931 7.931 7.780 0.151 18916 7033 1 15 . 1 1 83 83 ARG N N 83 115.619 115.619 115.081 0.538 18916 7034 1 15 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.660 -0.470 18916 7035 1 15 . 1 1 83 83 ARG C C 83 172.050 172.050 173.642 -1.592 18916 7036 1 15 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.881 1.281 18916 7037 1 15 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.768 -0.413 18916 7038 1 15 . 1 1 83 83 ARG H H 83 8.165 8.165 7.838 0.327 18916 7039 1 15 . 1 1 84 84 LEU N N 84 120.648 120.648 122.398 -1.750 18916 7040 1 15 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.271 -0.555 18916 7041 1 15 . 1 1 84 84 LEU C C 84 176.917 176.917 175.635 1.282 18916 7042 1 15 . 1 1 84 84 LEU CA C 84 54.985 54.985 54.293 0.692 18916 7043 1 15 . 1 1 84 84 LEU CB C 84 41.311 41.311 42.192 -0.881 18916 7044 1 15 . 1 1 84 84 LEU H H 84 8.325 8.325 8.303 0.022 18916 7045 1 15 . 1 1 85 85 LEU N N 85 132.955 132.955 128.953 4.002 18916 7046 1 15 . 1 1 85 85 LEU HA H 85 4.597 4.597 5.029 -0.432 18916 7047 1 15 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.460 2.188 18916 7048 1 15 . 1 1 85 85 LEU CB C 85 40.363 40.363 43.553 -3.190 18916 7049 1 15 . 1 1 85 85 LEU H H 85 7.946 7.946 8.201 -0.255 18916 7050 1 15 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.533 0.052 18916 7051 1 15 . 1 1 86 86 PRO C C 86 178.835 178.835 177.953 0.882 18916 7052 1 15 . 1 1 86 86 PRO CA C 86 63.775 63.775 62.949 0.826 18916 7053 1 15 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.115 0.434 18916 7054 1 15 . 1 1 87 87 TRP N N 87 128.323 128.323 126.481 1.842 18916 7055 1 15 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.558 0.077 18916 7056 1 15 . 1 1 87 87 TRP C C 87 177.963 177.963 176.385 1.578 18916 7057 1 15 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.146 0.407 18916 7058 1 15 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.209 -0.248 18916 7059 1 15 . 1 1 87 87 TRP H H 87 8.369 8.369 8.450 -0.081 18916 7060 1 15 . 1 1 88 88 GLN N N 88 120.928 120.928 116.534 4.394 18916 7061 1 15 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.310 -0.405 18916 7062 1 15 . 1 1 88 88 GLN C C 88 178.196 178.196 177.601 0.595 18916 7063 1 15 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.442 2.480 18916 7064 1 15 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.348 -0.888 18916 7065 1 15 . 1 1 88 88 GLN H H 88 8.354 8.354 7.413 0.941 18916 7066 1 15 . 1 1 89 89 ASN N N 89 116.452 116.452 117.551 -1.099 18916 7067 1 15 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.367 -0.068 18916 7068 1 15 . 1 1 89 89 ASN C C 89 174.752 174.752 176.013 -1.261 18916 7069 1 15 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.810 -0.679 18916 7070 1 15 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.420 -1.059 18916 7071 1 15 . 1 1 89 89 ASN H H 89 7.304 7.304 7.461 -0.157 18916 7072 1 15 . 1 1 90 90 TYR N N 90 118.336 118.336 115.305 3.031 18916 7073 1 15 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.479 0.135 18916 7074 1 15 . 1 1 90 90 TYR C C 90 174.534 174.534 175.368 -0.834 18916 7075 1 15 . 1 1 90 90 TYR CA C 90 57.534 57.534 58.013 -0.479 18916 7076 1 15 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.251 1.902 18916 7077 1 15 . 1 1 90 90 TYR H H 90 8.048 8.048 7.274 0.774 18916 7078 1 15 . 1 1 91 91 SER N N 91 114.053 114.053 115.010 -0.957 18916 7079 1 15 . 1 1 91 91 SER HA H 91 5.015 5.015 4.605 0.410 18916 7080 1 15 . 1 1 91 91 SER C C 91 176.205 176.205 175.122 1.083 18916 7081 1 15 . 1 1 91 91 SER CA C 91 58.037 58.037 58.603 -0.566 18916 7082 1 15 . 1 1 91 91 SER CB C 91 64.342 64.342 63.064 1.278 18916 7083 1 15 . 1 1 91 91 SER H H 91 7.012 7.012 7.334 -0.322 18916 7084 1 15 . 1 1 92 92 LEU N N 92 126.106 126.106 127.832 -1.726 18916 7085 1 15 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.265 0.340 18916 7086 1 15 . 1 1 92 92 LEU C C 92 177.687 177.687 178.053 -0.366 18916 7087 1 15 . 1 1 92 92 LEU CA C 92 55.405 55.405 56.270 -0.865 18916 7088 1 15 . 1 1 92 92 LEU CB C 92 42.887 42.887 42.029 0.858 18916 7089 1 15 . 1 1 92 92 LEU H H 92 8.777 8.777 8.449 0.328 18916 7090 1 15 . 1 1 93 93 THR N N 93 112.458 112.458 111.890 0.568 18916 7091 1 15 . 1 1 93 93 THR HA H 93 4.489 4.489 4.255 0.234 18916 7092 1 15 . 1 1 93 93 THR C C 93 173.851 173.851 173.966 -0.115 18916 7093 1 15 . 1 1 93 93 THR CA C 93 61.318 61.318 62.692 -1.374 18916 7094 1 15 . 1 1 93 93 THR CB C 93 69.853 69.853 67.978 1.875 18916 7095 1 15 . 1 1 93 93 THR H H 93 8.252 8.252 7.806 0.446 18916 7096 1 16 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.586 -0.804 18916 7097 1 16 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.477 1.401 18916 7098 1 16 . 1 1 4 4 GLN CB C 4 29.441 29.441 28.976 0.465 18916 7099 1 16 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.755 -0.201 18916 7100 1 16 . 1 1 7 7 LYS C C 7 178.298 178.298 177.260 1.038 18916 7101 1 16 . 1 1 7 7 LYS CA C 7 54.750 54.750 55.623 -0.873 18916 7102 1 16 . 1 1 7 7 LYS CB C 7 32.593 32.593 32.773 -0.180 18916 7103 1 16 . 1 1 8 8 ILE N N 8 119.676 119.676 122.330 -2.654 18916 7104 1 16 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.555 0.029 18916 7105 1 16 . 1 1 8 8 ILE C C 8 177.164 177.164 175.912 1.252 18916 7106 1 16 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.905 1.007 18916 7107 1 16 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.831 1.143 18916 7108 1 16 . 1 1 8 8 ILE H H 8 7.633 7.633 7.525 0.108 18916 7109 1 16 . 1 1 9 9 PHE N N 9 113.639 113.639 112.213 1.426 18916 7110 1 16 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.756 0.156 18916 7111 1 16 . 1 1 9 9 PHE C C 9 174.520 174.520 175.842 -1.322 18916 7112 1 16 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.419 0.620 18916 7113 1 16 . 1 1 9 9 PHE CB C 9 37.714 37.714 37.593 0.121 18916 7114 1 16 . 1 1 9 9 PHE H H 9 8.403 8.403 7.578 0.825 18916 7115 1 16 . 1 1 10 10 LYS N N 10 120.104 120.104 123.013 -2.909 18916 7116 1 16 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.274 -0.131 18916 7117 1 16 . 1 1 10 10 LYS C C 10 177.600 177.600 177.837 -0.237 18916 7118 1 16 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.697 -0.189 18916 7119 1 16 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.489 -0.049 18916 7120 1 16 . 1 1 10 10 LYS H H 10 7.328 7.328 7.483 -0.155 18916 7121 1 16 . 1 1 11 11 ASN N N 11 116.960 116.960 115.075 1.885 18916 7122 1 16 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.757 -0.212 18916 7123 1 16 . 1 1 11 11 ASN C C 11 175.566 175.566 175.406 0.160 18916 7124 1 16 . 1 1 11 11 ASN CA C 11 55.479 55.479 53.091 2.388 18916 7125 1 16 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.259 -0.731 18916 7126 1 16 . 1 1 11 11 ASN H H 11 8.984 8.984 8.847 0.138 18916 7127 1 16 . 1 1 12 12 CYS N N 12 118.344 118.344 119.600 -1.256 18916 7128 1 16 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.833 0.293 18916 7129 1 16 . 1 1 12 12 CYS C C 12 175.014 175.014 173.391 1.623 18916 7130 1 16 . 1 1 12 12 CYS CA C 12 59.549 59.549 58.719 0.830 18916 7131 1 16 . 1 1 12 12 CYS CB C 12 29.319 29.319 31.652 -2.333 18916 7132 1 16 . 1 1 12 12 CYS H H 12 8.460 8.460 7.636 0.824 18916 7133 1 16 . 1 1 13 13 VAL N N 13 128.765 128.765 124.485 4.280 18916 7134 1 16 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.427 -0.038 18916 7135 1 16 . 1 1 13 13 VAL C C 13 174.912 174.912 174.740 0.172 18916 7136 1 16 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.643 0.651 18916 7137 1 16 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.914 0.554 18916 7138 1 16 . 1 1 13 13 VAL H H 13 9.878 9.878 8.878 1.000 18916 7139 1 16 . 1 1 14 14 ILE N N 14 128.270 128.270 127.075 1.195 18916 7140 1 16 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.080 0.120 18916 7141 1 16 . 1 1 14 14 ILE C C 14 174.098 174.098 175.388 -1.290 18916 7142 1 16 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.788 0.516 18916 7143 1 16 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.090 1.454 18916 7144 1 16 . 1 1 14 14 ILE H H 14 8.841 8.841 8.341 0.500 18916 7145 1 16 . 1 1 15 15 TYR N N 15 125.475 125.475 129.729 -4.254 18916 7146 1 16 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.435 -0.326 18916 7147 1 16 . 1 1 15 15 TYR C C 15 173.023 173.023 173.902 -0.879 18916 7148 1 16 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.345 0.541 18916 7149 1 16 . 1 1 15 15 TYR CB C 15 42.813 42.813 41.223 1.590 18916 7150 1 16 . 1 1 15 15 TYR H H 15 8.023 8.023 9.053 -1.030 18916 7151 1 16 . 1 1 16 16 ILE N N 16 128.262 128.262 129.196 -0.934 18916 7152 1 16 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.110 0.257 18916 7153 1 16 . 1 1 16 16 ILE C C 16 173.895 173.895 174.096 -0.201 18916 7154 1 16 . 1 1 16 16 ILE CA C 16 59.688 59.688 60.319 -0.631 18916 7155 1 16 . 1 1 16 16 ILE CB C 16 36.912 36.912 37.547 -0.635 18916 7156 1 16 . 1 1 16 16 ILE H H 16 8.708 8.708 8.681 0.027 18916 7157 1 16 . 1 1 17 17 ASN N N 17 126.842 126.842 126.204 0.638 18916 7158 1 16 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.443 0.218 18916 7159 1 16 . 1 1 17 17 ASN C C 17 174.171 174.171 174.959 -0.788 18916 7160 1 16 . 1 1 17 17 ASN CA C 17 52.887 52.887 52.094 0.792 18916 7161 1 16 . 1 1 17 17 ASN CB C 17 42.944 42.944 40.479 2.465 18916 7162 1 16 . 1 1 17 17 ASN H H 17 8.974 8.974 7.832 1.142 18916 7163 1 16 . 1 1 18 18 GLY N N 18 113.508 113.508 112.718 0.790 18916 7164 1 16 . 1 1 18 18 GLY C C 18 172.529 172.529 172.774 -0.245 18916 7165 1 16 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.595 0.590 18916 7166 1 16 . 1 1 18 18 GLY H H 18 8.727 8.727 8.246 0.481 18916 7167 1 16 . 1 1 19 19 TYR N N 19 121.021 121.021 121.361 -0.340 18916 7168 1 16 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.642 -0.192 18916 7169 1 16 . 1 1 19 19 TYR C C 19 176.147 176.147 175.545 0.602 18916 7170 1 16 . 1 1 19 19 TYR CA C 19 58.982 58.982 57.710 1.272 18916 7171 1 16 . 1 1 19 19 TYR CB C 19 38.701 38.701 39.044 -0.343 18916 7172 1 16 . 1 1 19 19 TYR H H 19 8.651 8.651 8.399 0.252 18916 7173 1 16 . 1 1 20 20 THR N N 20 117.677 117.677 113.061 4.616 18916 7174 1 16 . 1 1 20 20 THR HA H 20 4.279 4.279 4.559 -0.280 18916 7175 1 16 . 1 1 20 20 THR C C 20 171.803 171.803 173.042 -1.239 18916 7176 1 16 . 1 1 20 20 THR CA C 20 59.986 59.986 60.127 -0.141 18916 7177 1 16 . 1 1 20 20 THR CB C 20 73.362 73.362 71.278 2.084 18916 7178 1 16 . 1 1 20 20 THR H H 20 7.242 7.242 8.287 -1.045 18916 7179 1 16 . 1 1 21 21 LYS N N 21 120.592 120.592 123.644 -3.052 18916 7180 1 16 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.735 -0.688 18916 7181 1 16 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.988 1.042 18916 7182 1 16 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.754 2.072 18916 7183 1 16 . 1 1 21 21 LYS H H 21 7.718 7.718 8.499 -0.781 18916 7184 1 16 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.486 0.104 18916 7185 1 16 . 1 1 22 22 PRO C C 22 175.043 175.043 176.687 -1.644 18916 7186 1 16 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.204 0.744 18916 7187 1 16 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.816 1.724 18916 7188 1 16 . 1 1 23 23 GLY N N 23 105.352 105.352 106.672 -1.320 18916 7189 1 16 . 1 1 23 23 GLY C C 23 172.762 172.762 175.860 -3.098 18916 7190 1 16 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.455 0.425 18916 7191 1 16 . 1 1 23 23 GLY H H 23 8.356 8.356 8.570 -0.214 18916 7192 1 16 . 1 1 24 24 ARG N N 24 119.274 119.274 122.261 -2.987 18916 7193 1 16 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.614 -0.339 18916 7194 1 16 . 1 1 24 24 ARG C C 24 176.263 176.263 178.182 -1.919 18916 7195 1 16 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.911 1.009 18916 7196 1 16 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.454 0.877 18916 7197 1 16 . 1 1 24 24 ARG H H 24 7.813 7.813 8.702 -0.889 18916 7198 1 16 . 1 1 25 25 LEU N N 25 116.403 116.403 115.573 0.830 18916 7199 1 16 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.260 -0.570 18916 7200 1 16 . 1 1 25 25 LEU C C 25 179.562 179.562 178.850 0.712 18916 7201 1 16 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.435 0.956 18916 7202 1 16 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.834 0.010 18916 7203 1 16 . 1 1 25 25 LEU H H 25 8.156 8.156 7.926 0.230 18916 7204 1 16 . 1 1 26 26 GLN N N 26 118.294 118.294 119.070 -0.776 18916 7205 1 16 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.320 -0.354 18916 7206 1 16 . 1 1 26 26 GLN C C 26 179.358 179.358 178.542 0.816 18916 7207 1 16 . 1 1 26 26 GLN CA C 26 59.322 59.322 57.758 1.564 18916 7208 1 16 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.410 -0.353 18916 7209 1 16 . 1 1 26 26 GLN H H 26 7.423 7.423 7.557 -0.134 18916 7210 1 16 . 1 1 27 27 LEU N N 27 119.419 119.419 120.025 -0.606 18916 7211 1 16 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.678 0.250 18916 7212 1 16 . 1 1 27 27 LEU C C 27 178.777 178.777 178.915 -0.138 18916 7213 1 16 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.346 -0.322 18916 7214 1 16 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.540 0.350 18916 7215 1 16 . 1 1 27 27 LEU H H 27 8.127 8.127 7.918 0.209 18916 7216 1 16 . 1 1 28 28 HIS N N 28 118.332 118.332 117.445 0.887 18916 7217 1 16 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.832 -0.090 18916 7218 1 16 . 1 1 28 28 HIS C C 28 177.121 177.121 177.751 -0.630 18916 7219 1 16 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.208 -1.409 18916 7220 1 16 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.326 0.115 18916 7221 1 16 . 1 1 28 28 HIS H H 28 8.727 8.727 7.830 0.896 18916 7222 1 16 . 1 1 29 29 GLU N N 29 116.699 116.699 120.035 -3.336 18916 7223 1 16 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.924 0.054 18916 7224 1 16 . 1 1 29 29 GLU C C 29 178.951 178.951 178.980 -0.029 18916 7225 1 16 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.219 0.057 18916 7226 1 16 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.571 0.113 18916 7227 1 16 . 1 1 29 29 GLU H H 29 7.518 7.518 7.702 -0.184 18916 7228 1 16 . 1 1 30 30 MET N N 30 118.090 118.090 117.961 0.129 18916 7229 1 16 . 1 1 30 30 MET HA H 30 4.055 4.055 4.239 -0.184 18916 7230 1 16 . 1 1 30 30 MET C C 30 177.992 177.992 179.076 -1.084 18916 7231 1 16 . 1 1 30 30 MET CA C 30 60.040 60.040 57.564 2.476 18916 7232 1 16 . 1 1 30 30 MET CB C 30 34.522 34.522 31.693 2.829 18916 7233 1 16 . 1 1 30 30 MET H H 30 7.766 7.766 7.907 -0.141 18916 7234 1 16 . 1 1 31 31 ILE N N 31 118.458 118.458 119.582 -1.124 18916 7235 1 16 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.409 -0.157 18916 7236 1 16 . 1 1 31 31 ILE C C 31 178.007 178.007 178.226 -0.219 18916 7237 1 16 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.088 -0.197 18916 7238 1 16 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.462 0.720 18916 7239 1 16 . 1 1 31 31 ILE H H 31 8.337 8.337 7.914 0.423 18916 7240 1 16 . 1 1 32 32 VAL N N 32 117.878 117.878 119.894 -2.016 18916 7241 1 16 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.131 -0.128 18916 7242 1 16 . 1 1 32 32 VAL C C 32 180.884 180.884 179.066 1.818 18916 7243 1 16 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.436 -0.060 18916 7244 1 16 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.349 0.648 18916 7245 1 16 . 1 1 32 32 VAL H H 32 7.888 7.888 7.663 0.225 18916 7246 1 16 . 1 1 33 33 LEU N N 33 123.609 123.609 119.695 3.914 18916 7247 1 16 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.107 -0.034 18916 7248 1 16 . 1 1 33 33 LEU C C 33 177.498 177.498 177.485 0.013 18916 7249 1 16 . 1 1 33 33 LEU CA C 33 57.662 57.662 57.222 0.440 18916 7250 1 16 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.647 1.643 18916 7251 1 16 . 1 1 33 33 LEU H H 33 8.281 8.281 8.210 0.071 18916 7252 1 16 . 1 1 34 34 HIS N N 34 113.272 113.272 115.751 -2.479 18916 7253 1 16 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.804 -0.089 18916 7254 1 16 . 1 1 34 34 HIS C C 34 175.464 175.464 175.193 0.271 18916 7255 1 16 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.139 1.256 18916 7256 1 16 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.180 0.588 18916 7257 1 16 . 1 1 34 34 HIS H H 34 7.319 7.319 7.455 -0.136 18916 7258 1 16 . 1 1 35 35 GLY N N 35 104.307 104.307 107.116 -2.809 18916 7259 1 16 . 1 1 35 35 GLY C C 35 174.985 174.985 173.876 1.109 18916 7260 1 16 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.707 1.607 18916 7261 1 16 . 1 1 35 35 GLY H H 35 7.392 7.392 7.922 -0.530 18916 7262 1 16 . 1 1 36 36 GLY N N 36 108.630 108.630 105.899 2.731 18916 7263 1 16 . 1 1 36 36 GLY C C 36 171.701 171.701 172.598 -0.897 18916 7264 1 16 . 1 1 36 36 GLY CA C 36 44.392 44.392 43.623 0.769 18916 7265 1 16 . 1 1 36 36 GLY H H 36 8.763 8.763 7.881 0.882 18916 7266 1 16 . 1 1 37 37 LYS N N 37 115.119 115.119 121.103 -5.984 18916 7267 1 16 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.916 -0.302 18916 7268 1 16 . 1 1 37 37 LYS C C 37 174.302 174.302 175.220 -0.918 18916 7269 1 16 . 1 1 37 37 LYS CA C 37 54.319 54.319 54.876 -0.556 18916 7270 1 16 . 1 1 37 37 LYS CB C 37 37.250 37.250 35.666 1.583 18916 7271 1 16 . 1 1 37 37 LYS H H 37 7.406 7.406 8.046 -0.640 18916 7272 1 16 . 1 1 38 38 PHE N N 38 117.196 117.196 117.671 -0.475 18916 7273 1 16 . 1 1 38 38 PHE HA H 38 5.888 5.888 4.984 0.904 18916 7274 1 16 . 1 1 38 38 PHE C C 38 173.604 173.604 173.427 0.177 18916 7275 1 16 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.613 -0.761 18916 7276 1 16 . 1 1 38 38 PHE CB C 38 43.379 43.379 41.779 1.600 18916 7277 1 16 . 1 1 38 38 PHE H H 38 7.844 7.844 8.043 -0.199 18916 7278 1 16 . 1 1 39 39 LEU N N 39 119.576 119.576 120.379 -0.803 18916 7279 1 16 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.491 0.113 18916 7280 1 16 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.319 -0.658 18916 7281 1 16 . 1 1 39 39 LEU CB C 39 45.901 45.901 45.640 0.261 18916 7282 1 16 . 1 1 39 39 LEU H H 39 8.223 8.223 8.517 -0.294 18916 7283 1 16 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.533 0.106 18916 7284 1 16 . 1 1 40 40 HIS C C 40 174.694 174.694 174.658 0.036 18916 7285 1 16 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.393 1.277 18916 7286 1 16 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.557 1.333 18916 7287 1 16 . 1 1 41 41 TYR N N 41 115.005 115.005 114.790 0.215 18916 7288 1 16 . 1 1 41 41 TYR HA H 41 4.660 4.660 3.721 0.939 18916 7289 1 16 . 1 1 41 41 TYR C C 41 173.023 173.023 173.126 -0.103 18916 7290 1 16 . 1 1 41 41 TYR CA C 41 55.898 55.898 56.646 -0.748 18916 7291 1 16 . 1 1 41 41 TYR CB C 41 40.313 40.313 38.747 1.566 18916 7292 1 16 . 1 1 41 41 TYR H H 41 7.363 7.363 7.512 -0.149 18916 7293 1 16 . 1 1 42 42 LEU N N 42 121.687 121.687 122.053 -0.366 18916 7294 1 16 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.578 -0.690 18916 7295 1 16 . 1 1 42 42 LEU CA C 42 54.041 54.041 54.002 0.039 18916 7296 1 16 . 1 1 42 42 LEU CB C 42 41.096 41.096 42.375 -1.279 18916 7297 1 16 . 1 1 42 42 LEU H H 42 8.252 8.252 8.116 0.136 18916 7298 1 16 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.478 -0.244 18916 7299 1 16 . 1 1 46 46 LYS CA C 46 56.885 56.885 56.664 0.221 18916 7300 1 16 . 1 1 46 46 LYS CB C 46 32.542 32.542 30.480 2.062 18916 7301 1 16 . 1 1 47 47 THR HA H 47 4.168 4.168 4.365 -0.197 18916 7302 1 16 . 1 1 47 47 THR C C 47 174.186 174.186 174.419 -0.233 18916 7303 1 16 . 1 1 47 47 THR CA C 47 62.706 62.706 61.629 1.077 18916 7304 1 16 . 1 1 47 47 THR CB C 47 69.762 69.762 69.856 -0.094 18916 7305 1 16 . 1 1 48 48 VAL N N 48 123.218 123.218 121.345 1.873 18916 7306 1 16 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.062 -0.219 18916 7307 1 16 . 1 1 48 48 VAL C C 48 174.985 174.985 175.890 -0.905 18916 7308 1 16 . 1 1 48 48 VAL CA C 48 62.146 62.146 62.091 0.055 18916 7309 1 16 . 1 1 48 48 VAL CB C 48 33.167 33.167 33.089 0.078 18916 7310 1 16 . 1 1 48 48 VAL H H 48 7.771 7.771 7.660 0.111 18916 7311 1 16 . 1 1 49 49 THR N N 49 116.982 116.982 120.073 -3.091 18916 7312 1 16 . 1 1 49 49 THR HA H 49 4.319 4.319 4.477 -0.158 18916 7313 1 16 . 1 1 49 49 THR C C 49 176.118 176.118 173.504 2.614 18916 7314 1 16 . 1 1 49 49 THR CA C 49 62.831 62.831 61.764 1.067 18916 7315 1 16 . 1 1 49 49 THR CB C 49 69.114 69.114 69.966 -0.852 18916 7316 1 16 . 1 1 49 49 THR H H 49 9.798 9.798 8.102 1.696 18916 7317 1 16 . 1 1 50 50 HIS N N 50 121.799 121.799 120.154 1.645 18916 7318 1 16 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.282 -0.366 18916 7319 1 16 . 1 1 50 50 HIS C C 50 172.849 172.849 173.111 -0.262 18916 7320 1 16 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.584 2.070 18916 7321 1 16 . 1 1 50 50 HIS CB C 50 34.649 34.649 32.614 2.034 18916 7322 1 16 . 1 1 50 50 HIS H H 50 7.596 7.596 8.024 -0.428 18916 7323 1 16 . 1 1 51 51 ILE N N 51 123.013 123.013 124.236 -1.223 18916 7324 1 16 . 1 1 51 51 ILE HA H 51 4.980 4.980 5.137 -0.157 18916 7325 1 16 . 1 1 51 51 ILE C C 51 174.505 174.505 174.801 -0.296 18916 7326 1 16 . 1 1 51 51 ILE CA C 51 58.967 58.967 59.783 -0.816 18916 7327 1 16 . 1 1 51 51 ILE CB C 51 39.153 39.153 41.244 -2.091 18916 7328 1 16 . 1 1 51 51 ILE H H 51 8.996 8.996 8.256 0.740 18916 7329 1 16 . 1 1 52 52 VAL N N 52 127.413 127.413 126.835 0.578 18916 7330 1 16 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.841 0.461 18916 7331 1 16 . 1 1 52 52 VAL C C 52 174.084 174.084 174.385 -0.301 18916 7332 1 16 . 1 1 52 52 VAL CA C 52 59.207 59.207 60.771 -1.564 18916 7333 1 16 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.992 0.267 18916 7334 1 16 . 1 1 52 52 VAL H H 52 8.821 8.821 8.393 0.428 18916 7335 1 16 . 1 1 53 53 ALA N N 53 127.601 127.601 129.550 -1.949 18916 7336 1 16 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.096 -0.474 18916 7337 1 16 . 1 1 53 53 ALA C C 53 174.680 174.680 176.063 -1.383 18916 7338 1 16 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.356 0.554 18916 7339 1 16 . 1 1 53 53 ALA CB C 53 23.160 23.160 23.231 -0.071 18916 7340 1 16 . 1 1 53 53 ALA H H 53 8.967 8.967 8.647 0.320 18916 7341 1 16 . 1 1 54 54 SER N N 54 113.005 113.005 117.142 -4.137 18916 7342 1 16 . 1 1 54 54 SER HA H 54 4.657 4.657 4.404 0.253 18916 7343 1 16 . 1 1 54 54 SER C C 54 174.229 174.229 174.551 -0.322 18916 7344 1 16 . 1 1 54 54 SER CA C 54 59.671 59.671 59.856 -0.185 18916 7345 1 16 . 1 1 54 54 SER CB C 54 64.852 64.852 63.743 1.109 18916 7346 1 16 . 1 1 54 54 SER H H 54 9.303 9.303 8.576 0.727 18916 7347 1 16 . 1 1 55 55 ASN N N 55 117.475 117.475 117.967 -0.492 18916 7348 1 16 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.803 -0.202 18916 7349 1 16 . 1 1 55 55 ASN C C 55 173.052 173.052 173.194 -0.142 18916 7350 1 16 . 1 1 55 55 ASN CA C 55 53.125 53.125 53.157 -0.032 18916 7351 1 16 . 1 1 55 55 ASN CB C 55 40.610 40.610 39.601 1.009 18916 7352 1 16 . 1 1 55 55 ASN H H 55 7.917 7.917 8.241 -0.324 18916 7353 1 16 . 1 1 56 56 LEU N N 56 122.146 122.146 126.216 -4.070 18916 7354 1 16 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.765 0.035 18916 7355 1 16 . 1 1 56 56 LEU CA C 56 51.905 51.905 52.523 -0.618 18916 7356 1 16 . 1 1 56 56 LEU CB C 56 44.592 44.592 43.944 0.648 18916 7357 1 16 . 1 1 56 56 LEU H H 56 8.792 8.792 8.377 0.415 18916 7358 1 16 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.474 0.091 18916 7359 1 16 . 1 1 57 57 PRO CA C 57 62.190 62.190 63.238 -1.048 18916 7360 1 16 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.332 0.167 18916 7361 1 16 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.957 -0.037 18916 7362 1 16 . 1 1 58 58 LEU C C 58 178.806 178.806 178.652 0.154 18916 7363 1 16 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.781 0.391 18916 7364 1 16 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.642 -0.053 18916 7365 1 16 . 1 1 59 59 LYS N N 59 115.039 115.039 118.677 -3.638 18916 7366 1 16 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.045 -0.073 18916 7367 1 16 . 1 1 59 59 LYS C C 59 179.053 179.053 178.865 0.188 18916 7368 1 16 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.744 0.780 18916 7369 1 16 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.190 1.221 18916 7370 1 16 . 1 1 59 59 LYS H H 59 8.763 8.763 8.460 0.303 18916 7371 1 16 . 1 1 60 60 LYS N N 60 116.433 116.433 119.589 -3.156 18916 7372 1 16 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.860 0.100 18916 7373 1 16 . 1 1 60 60 LYS C C 60 176.874 176.874 179.202 -2.328 18916 7374 1 16 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.246 -2.525 18916 7375 1 16 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.775 0.158 18916 7376 1 16 . 1 1 60 60 LYS H H 60 7.158 7.158 8.280 -1.122 18916 7377 1 16 . 1 1 61 61 ARG N N 61 120.369 120.369 118.775 1.594 18916 7378 1 16 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.142 -0.318 18916 7379 1 16 . 1 1 61 61 ARG C C 61 179.213 179.213 178.306 0.907 18916 7380 1 16 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.460 0.354 18916 7381 1 16 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.107 -0.237 18916 7382 1 16 . 1 1 61 61 ARG H H 61 7.902 7.902 7.860 0.042 18916 7383 1 16 . 1 1 62 62 ILE N N 62 117.956 117.956 118.695 -0.739 18916 7384 1 16 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.789 0.019 18916 7385 1 16 . 1 1 62 62 ILE C C 62 178.966 178.966 178.884 0.082 18916 7386 1 16 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.503 -0.341 18916 7387 1 16 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.645 0.374 18916 7388 1 16 . 1 1 62 62 ILE H H 62 7.727 7.727 7.456 0.271 18916 7389 1 16 . 1 1 63 63 GLU N N 63 121.877 121.877 120.863 1.014 18916 7390 1 16 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.034 -0.084 18916 7391 1 16 . 1 1 63 63 GLU C C 63 178.792 178.792 178.262 0.530 18916 7392 1 16 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.657 0.645 18916 7393 1 16 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.288 0.534 18916 7394 1 16 . 1 1 63 63 GLU H H 63 7.713 7.713 8.066 -0.353 18916 7395 1 16 . 1 1 64 64 PHE N N 64 115.684 115.684 116.490 -0.806 18916 7396 1 16 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.974 0.104 18916 7397 1 16 . 1 1 64 64 PHE C C 64 175.886 175.886 175.885 0.001 18916 7398 1 16 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.116 -1.257 18916 7399 1 16 . 1 1 64 64 PHE CB C 64 37.431 37.431 37.772 -0.341 18916 7400 1 16 . 1 1 64 64 PHE H H 64 8.077 8.077 8.098 -0.021 18916 7401 1 16 . 1 1 65 65 ALA N N 65 122.616 122.616 123.888 -1.272 18916 7402 1 16 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.278 -0.114 18916 7403 1 16 . 1 1 65 65 ALA C C 65 178.356 178.356 177.791 0.565 18916 7404 1 16 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.221 1.200 18916 7405 1 16 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.711 0.532 18916 7406 1 16 . 1 1 65 65 ALA H H 65 7.290 7.290 7.276 0.014 18916 7407 1 16 . 1 1 66 66 ASN N N 66 112.567 112.567 113.836 -1.269 18916 7408 1 16 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.592 0.013 18916 7409 1 16 . 1 1 66 66 ASN C C 66 174.374 174.374 174.779 -0.405 18916 7410 1 16 . 1 1 66 66 ASN CA C 66 53.354 53.354 53.201 0.153 18916 7411 1 16 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.792 -0.873 18916 7412 1 16 . 1 1 66 66 ASN H H 66 8.602 8.602 8.447 0.155 18916 7413 1 16 . 1 1 67 67 TYR N N 67 118.682 118.682 119.187 -0.505 18916 7414 1 16 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.531 -0.003 18916 7415 1 16 . 1 1 67 67 TYR C C 67 175.072 175.072 175.475 -0.403 18916 7416 1 16 . 1 1 67 67 TYR CA C 67 56.641 56.641 56.544 0.097 18916 7417 1 16 . 1 1 67 67 TYR CB C 67 40.822 40.822 39.705 1.117 18916 7418 1 16 . 1 1 67 67 TYR H H 67 7.873 7.873 7.505 0.368 18916 7419 1 16 . 1 1 68 68 LYS N N 68 121.419 121.419 124.284 -2.865 18916 7420 1 16 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.376 -0.576 18916 7421 1 16 . 1 1 68 68 LYS C C 68 174.491 174.491 175.529 -1.038 18916 7422 1 16 . 1 1 68 68 LYS CA C 68 56.246 56.246 55.505 0.741 18916 7423 1 16 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.434 2.230 18916 7424 1 16 . 1 1 68 68 LYS H H 68 7.771 7.771 8.642 -0.871 18916 7425 1 16 . 1 1 69 69 VAL N N 69 126.113 126.113 125.450 0.663 18916 7426 1 16 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.700 0.482 18916 7427 1 16 . 1 1 69 69 VAL C C 69 176.365 176.365 176.234 0.131 18916 7428 1 16 . 1 1 69 69 VAL CA C 69 60.879 60.879 62.584 -1.705 18916 7429 1 16 . 1 1 69 69 VAL CB C 69 32.355 32.355 31.507 0.848 18916 7430 1 16 . 1 1 69 69 VAL H H 69 8.384 8.384 8.051 0.333 18916 7431 1 16 . 1 1 70 70 VAL N N 70 120.358 120.358 122.341 -1.983 18916 7432 1 16 . 1 1 70 70 VAL HA H 70 5.377 5.377 4.947 0.430 18916 7433 1 16 . 1 1 70 70 VAL C C 70 174.040 174.040 174.813 -0.773 18916 7434 1 16 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.872 -1.023 18916 7435 1 16 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.437 1.317 18916 7436 1 16 . 1 1 70 70 VAL H H 70 9.390 9.390 9.224 0.166 18916 7437 1 16 . 1 1 71 71 SER N N 71 114.634 114.634 116.037 -1.403 18916 7438 1 16 . 1 1 71 71 SER HA H 71 5.630 5.630 5.679 -0.049 18916 7439 1 16 . 1 1 71 71 SER CA C 71 60.584 60.584 55.231 5.353 18916 7440 1 16 . 1 1 71 71 SER CB C 71 60.367 60.367 62.577 -2.210 18916 7441 1 16 . 1 1 71 71 SER H H 71 8.354 8.354 8.084 0.270 18916 7442 1 16 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.284 -0.148 18916 7443 1 16 . 1 1 72 72 PRO C C 72 177.193 177.193 177.692 -0.499 18916 7444 1 16 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.430 -0.368 18916 7445 1 16 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.807 0.532 18916 7446 1 16 . 1 1 73 73 ASP N N 73 115.868 115.868 117.915 -2.047 18916 7447 1 16 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.326 -0.124 18916 7448 1 16 . 1 1 73 73 ASP C C 73 175.450 175.450 177.755 -2.305 18916 7449 1 16 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.394 -1.968 18916 7450 1 16 . 1 1 73 73 ASP CB C 73 39.355 39.355 40.014 -0.659 18916 7451 1 16 . 1 1 73 73 ASP H H 73 8.427 8.427 8.533 -0.106 18916 7452 1 16 . 1 1 74 74 TRP N N 74 121.252 121.252 121.477 -0.225 18916 7453 1 16 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.324 -0.706 18916 7454 1 16 . 1 1 74 74 TRP C C 74 178.472 178.472 177.253 1.219 18916 7455 1 16 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.255 -0.240 18916 7456 1 16 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.198 -0.468 18916 7457 1 16 . 1 1 74 74 TRP H H 74 7.833 7.833 7.502 0.331 18916 7458 1 16 . 1 1 75 75 ILE N N 75 116.185 116.185 118.723 -2.538 18916 7459 1 16 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.463 -0.220 18916 7460 1 16 . 1 1 75 75 ILE C C 75 176.728 176.728 177.785 -1.057 18916 7461 1 16 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.452 -1.557 18916 7462 1 16 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.533 -0.312 18916 7463 1 16 . 1 1 75 75 ILE H H 75 6.969 6.969 7.312 -0.344 18916 7464 1 16 . 1 1 76 76 VAL N N 76 117.042 117.042 120.425 -3.383 18916 7465 1 16 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.386 -0.190 18916 7466 1 16 . 1 1 76 76 VAL C C 76 178.675 178.675 178.039 0.636 18916 7467 1 16 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.098 -0.153 18916 7468 1 16 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.359 1.286 18916 7469 1 16 . 1 1 76 76 VAL H H 76 7.056 7.056 7.720 -0.664 18916 7470 1 16 . 1 1 77 77 ASP N N 77 120.009 120.009 119.874 0.135 18916 7471 1 16 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.362 -0.058 18916 7472 1 16 . 1 1 77 77 ASP C C 77 178.515 178.515 178.576 -0.061 18916 7473 1 16 . 1 1 77 77 ASP CA C 77 56.998 56.998 58.008 -1.010 18916 7474 1 16 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.585 -1.735 18916 7475 1 16 . 1 1 77 77 ASP H H 77 9.171 9.171 8.206 0.965 18916 7476 1 16 . 1 1 78 78 SER N N 78 117.973 117.973 116.463 1.510 18916 7477 1 16 . 1 1 78 78 SER HA H 78 4.391 4.391 4.198 0.193 18916 7478 1 16 . 1 1 78 78 SER C C 78 175.290 175.290 176.133 -0.843 18916 7479 1 16 . 1 1 78 78 SER CA C 78 62.948 62.948 61.755 1.193 18916 7480 1 16 . 1 1 78 78 SER CB C 78 63.080 63.080 63.068 0.013 18916 7481 1 16 . 1 1 78 78 SER H H 78 7.056 7.056 7.597 -0.541 18916 7482 1 16 . 1 1 79 79 VAL N N 79 119.889 119.889 120.804 -0.915 18916 7483 1 16 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.501 -0.593 18916 7484 1 16 . 1 1 79 79 VAL C C 79 179.169 179.169 177.133 2.036 18916 7485 1 16 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.272 1.592 18916 7486 1 16 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.590 -0.760 18916 7487 1 16 . 1 1 79 79 VAL H H 79 7.596 7.596 7.723 -0.127 18916 7488 1 16 . 1 1 80 80 LYS N N 80 121.062 121.062 118.818 2.244 18916 7489 1 16 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.101 -0.211 18916 7490 1 16 . 1 1 80 80 LYS C C 80 178.806 178.806 178.077 0.729 18916 7491 1 16 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.311 1.468 18916 7492 1 16 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.512 -0.181 18916 7493 1 16 . 1 1 80 80 LYS H H 80 7.946 7.946 7.542 0.404 18916 7494 1 16 . 1 1 81 81 GLU N N 81 115.870 115.870 115.762 0.108 18916 7495 1 16 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.399 -0.271 18916 7496 1 16 . 1 1 81 81 GLU C C 81 174.912 174.912 176.064 -1.152 18916 7497 1 16 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.587 0.883 18916 7498 1 16 . 1 1 81 81 GLU CB C 81 29.613 29.613 30.149 -0.536 18916 7499 1 16 . 1 1 81 81 GLU H H 81 8.063 8.063 7.787 0.276 18916 7500 1 16 . 1 1 82 82 ALA N N 82 122.380 122.380 122.093 0.287 18916 7501 1 16 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.950 -0.242 18916 7502 1 16 . 1 1 82 82 ALA C C 82 175.711 175.711 176.028 -0.317 18916 7503 1 16 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.209 -0.748 18916 7504 1 16 . 1 1 82 82 ALA CB C 82 16.581 16.581 16.993 -0.412 18916 7505 1 16 . 1 1 82 82 ALA H H 82 7.931 7.931 7.761 0.170 18916 7506 1 16 . 1 1 83 83 ARG N N 83 115.619 115.619 113.946 1.673 18916 7507 1 16 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.611 -0.421 18916 7508 1 16 . 1 1 83 83 ARG C C 83 172.050 172.050 173.419 -1.369 18916 7509 1 16 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.872 1.290 18916 7510 1 16 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.806 -0.451 18916 7511 1 16 . 1 1 83 83 ARG H H 83 8.165 8.165 7.762 0.403 18916 7512 1 16 . 1 1 84 84 LEU N N 84 120.648 120.648 123.088 -2.440 18916 7513 1 16 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.294 -0.578 18916 7514 1 16 . 1 1 84 84 LEU C C 84 176.917 176.917 175.742 1.175 18916 7515 1 16 . 1 1 84 84 LEU CA C 84 54.985 54.985 54.372 0.613 18916 7516 1 16 . 1 1 84 84 LEU CB C 84 41.311 41.311 42.012 -0.701 18916 7517 1 16 . 1 1 84 84 LEU H H 84 8.325 8.325 8.375 -0.050 18916 7518 1 16 . 1 1 85 85 LEU N N 85 132.955 132.955 129.758 3.197 18916 7519 1 16 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.899 -0.302 18916 7520 1 16 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.842 1.806 18916 7521 1 16 . 1 1 85 85 LEU CB C 85 40.363 40.363 43.147 -2.784 18916 7522 1 16 . 1 1 85 85 LEU H H 85 7.946 7.946 8.217 -0.271 18916 7523 1 16 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.229 0.356 18916 7524 1 16 . 1 1 86 86 PRO C C 86 178.835 178.835 177.568 1.267 18916 7525 1 16 . 1 1 86 86 PRO CA C 86 63.775 63.775 62.860 0.915 18916 7526 1 16 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.047 0.502 18916 7527 1 16 . 1 1 87 87 TRP N N 87 128.323 128.323 126.709 1.614 18916 7528 1 16 . 1 1 87 87 TRP HA H 87 3.635 3.635 4.165 -0.530 18916 7529 1 16 . 1 1 87 87 TRP C C 87 177.963 177.963 177.427 0.536 18916 7530 1 16 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.112 0.441 18916 7531 1 16 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.417 -0.456 18916 7532 1 16 . 1 1 87 87 TRP H H 87 8.369 8.369 8.059 0.310 18916 7533 1 16 . 1 1 88 88 GLN N N 88 120.928 120.928 120.156 0.772 18916 7534 1 16 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.933 -1.028 18916 7535 1 16 . 1 1 88 88 GLN C C 88 178.196 178.196 178.503 -0.307 18916 7536 1 16 . 1 1 88 88 GLN CA C 88 59.922 59.922 58.206 1.716 18916 7537 1 16 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.289 -0.829 18916 7538 1 16 . 1 1 88 88 GLN H H 88 8.354 8.354 8.024 0.330 18916 7539 1 16 . 1 1 89 89 ASN N N 89 116.452 116.452 118.433 -1.981 18916 7540 1 16 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.405 -0.106 18916 7541 1 16 . 1 1 89 89 ASN C C 89 174.752 174.752 175.986 -1.234 18916 7542 1 16 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.742 -0.611 18916 7543 1 16 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.154 -0.793 18916 7544 1 16 . 1 1 89 89 ASN H H 89 7.304 7.304 7.747 -0.443 18916 7545 1 16 . 1 1 90 90 TYR N N 90 118.336 118.336 114.335 4.001 18916 7546 1 16 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.628 -0.014 18916 7547 1 16 . 1 1 90 90 TYR C C 90 174.534 174.534 174.894 -0.360 18916 7548 1 16 . 1 1 90 90 TYR CA C 90 57.534 57.534 57.238 0.296 18916 7549 1 16 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.820 1.333 18916 7550 1 16 . 1 1 90 90 TYR H H 90 8.048 8.048 7.521 0.527 18916 7551 1 16 . 1 1 91 91 SER N N 91 114.053 114.053 116.151 -2.098 18916 7552 1 16 . 1 1 91 91 SER HA H 91 5.015 5.015 4.624 0.391 18916 7553 1 16 . 1 1 91 91 SER C C 91 176.205 176.205 174.946 1.259 18916 7554 1 16 . 1 1 91 91 SER CA C 91 58.037 58.037 59.734 -1.697 18916 7555 1 16 . 1 1 91 91 SER CB C 91 64.342 64.342 63.453 0.889 18916 7556 1 16 . 1 1 91 91 SER H H 91 7.012 7.012 7.423 -0.411 18916 7557 1 16 . 1 1 92 92 LEU N N 92 126.106 126.106 126.437 -0.331 18916 7558 1 16 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.608 -0.003 18916 7559 1 16 . 1 1 92 92 LEU C C 92 177.687 177.687 177.523 0.164 18916 7560 1 16 . 1 1 92 92 LEU CA C 92 55.405 55.405 53.808 1.597 18916 7561 1 16 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.767 1.120 18916 7562 1 16 . 1 1 92 92 LEU H H 92 8.777 8.777 8.372 0.405 18916 7563 1 16 . 1 1 93 93 THR N N 93 112.458 112.458 111.693 0.765 18916 7564 1 16 . 1 1 93 93 THR HA H 93 4.489 4.489 4.238 0.251 18916 7565 1 16 . 1 1 93 93 THR C C 93 173.851 173.851 174.892 -1.041 18916 7566 1 16 . 1 1 93 93 THR CA C 93 61.318 61.318 63.626 -2.308 18916 7567 1 16 . 1 1 93 93 THR CB C 93 69.853 69.853 69.209 0.644 18916 7568 1 16 . 1 1 93 93 THR H H 93 8.252 8.252 7.549 0.703 18916 7569 1 17 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.407 -0.625 18916 7570 1 17 . 1 1 4 4 GLN CA C 4 56.878 56.878 57.401 -0.524 18916 7571 1 17 . 1 1 4 4 GLN CB C 4 29.441 29.441 29.187 0.254 18916 7572 1 17 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.598 -0.044 18916 7573 1 17 . 1 1 7 7 LYS C C 7 178.298 178.298 177.770 0.528 18916 7574 1 17 . 1 1 7 7 LYS CA C 7 54.750 54.750 55.478 -0.728 18916 7575 1 17 . 1 1 7 7 LYS CB C 7 32.593 32.593 32.508 0.085 18916 7576 1 17 . 1 1 8 8 ILE N N 8 119.676 119.676 121.935 -2.259 18916 7577 1 17 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.604 -0.020 18916 7578 1 17 . 1 1 8 8 ILE C C 8 177.164 177.164 176.166 0.998 18916 7579 1 17 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.500 1.412 18916 7580 1 17 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.792 1.182 18916 7581 1 17 . 1 1 8 8 ILE H H 8 7.633 7.633 7.506 0.127 18916 7582 1 17 . 1 1 9 9 PHE N N 9 113.639 113.639 112.692 0.947 18916 7583 1 17 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.723 0.189 18916 7584 1 17 . 1 1 9 9 PHE C C 9 174.520 174.520 175.945 -1.425 18916 7585 1 17 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.623 0.416 18916 7586 1 17 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.179 -0.465 18916 7587 1 17 . 1 1 9 9 PHE H H 9 8.403 8.403 7.608 0.795 18916 7588 1 17 . 1 1 10 10 LYS N N 10 120.104 120.104 121.059 -0.955 18916 7589 1 17 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.261 -0.118 18916 7590 1 17 . 1 1 10 10 LYS C C 10 177.600 177.600 178.055 -0.455 18916 7591 1 17 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.625 -0.117 18916 7592 1 17 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.117 0.323 18916 7593 1 17 . 1 1 10 10 LYS H H 10 7.328 7.328 7.466 -0.138 18916 7594 1 17 . 1 1 11 11 ASN N N 11 116.960 116.960 114.904 2.056 18916 7595 1 17 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.772 -0.227 18916 7596 1 17 . 1 1 11 11 ASN C C 11 175.566 175.566 175.046 0.520 18916 7597 1 17 . 1 1 11 11 ASN CA C 11 55.479 55.479 53.599 1.880 18916 7598 1 17 . 1 1 11 11 ASN CB C 11 37.528 37.528 39.527 -1.999 18916 7599 1 17 . 1 1 11 11 ASN H H 11 8.984 8.984 8.797 0.187 18916 7600 1 17 . 1 1 12 12 CYS N N 12 118.344 118.344 120.192 -1.848 18916 7601 1 17 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.875 0.251 18916 7602 1 17 . 1 1 12 12 CYS C C 12 175.014 175.014 173.429 1.585 18916 7603 1 17 . 1 1 12 12 CYS CA C 12 59.549 59.549 57.647 1.902 18916 7604 1 17 . 1 1 12 12 CYS CB C 12 29.319 29.319 28.402 0.917 18916 7605 1 17 . 1 1 12 12 CYS H H 12 8.460 8.460 7.703 0.757 18916 7606 1 17 . 1 1 13 13 VAL N N 13 128.765 128.765 126.712 2.053 18916 7607 1 17 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.399 -0.010 18916 7608 1 17 . 1 1 13 13 VAL C C 13 174.912 174.912 174.969 -0.057 18916 7609 1 17 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.977 0.317 18916 7610 1 17 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.212 1.256 18916 7611 1 17 . 1 1 13 13 VAL H H 13 9.878 9.878 8.963 0.915 18916 7612 1 17 . 1 1 14 14 ILE N N 14 128.270 128.270 128.613 -0.343 18916 7613 1 17 . 1 1 14 14 ILE HA H 14 5.200 5.200 4.755 0.445 18916 7614 1 17 . 1 1 14 14 ILE C C 14 174.098 174.098 174.485 -0.387 18916 7615 1 17 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.889 0.415 18916 7616 1 17 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.153 1.391 18916 7617 1 17 . 1 1 14 14 ILE H H 14 8.841 8.841 8.544 0.296 18916 7618 1 17 . 1 1 15 15 TYR N N 15 125.475 125.475 129.290 -3.815 18916 7619 1 17 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.110 -0.001 18916 7620 1 17 . 1 1 15 15 TYR C C 15 173.023 173.023 174.025 -1.002 18916 7621 1 17 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.914 -0.028 18916 7622 1 17 . 1 1 15 15 TYR CB C 15 42.813 42.813 40.612 2.201 18916 7623 1 17 . 1 1 15 15 TYR H H 15 8.023 8.023 9.109 -1.086 18916 7624 1 17 . 1 1 16 16 ILE N N 16 128.262 128.262 129.275 -1.013 18916 7625 1 17 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.346 0.021 18916 7626 1 17 . 1 1 16 16 ILE C C 16 173.895 173.895 174.783 -0.888 18916 7627 1 17 . 1 1 16 16 ILE CA C 16 59.688 59.688 60.972 -1.284 18916 7628 1 17 . 1 1 16 16 ILE CB C 16 36.912 36.912 38.433 -1.521 18916 7629 1 17 . 1 1 16 16 ILE H H 16 8.708 8.708 8.299 0.409 18916 7630 1 17 . 1 1 17 17 ASN N N 17 126.842 126.842 125.047 1.795 18916 7631 1 17 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.765 -0.104 18916 7632 1 17 . 1 1 17 17 ASN C C 17 174.171 174.171 174.622 -0.451 18916 7633 1 17 . 1 1 17 17 ASN CA C 17 52.887 52.887 52.012 0.875 18916 7634 1 17 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.792 1.152 18916 7635 1 17 . 1 1 17 17 ASN H H 17 8.974 8.974 8.633 0.341 18916 7636 1 17 . 1 1 18 18 GLY N N 18 113.508 113.508 112.344 1.164 18916 7637 1 17 . 1 1 18 18 GLY C C 18 172.529 172.529 173.995 -1.466 18916 7638 1 17 . 1 1 18 18 GLY CA C 18 45.185 45.185 45.025 0.160 18916 7639 1 17 . 1 1 18 18 GLY H H 18 8.727 8.727 8.325 0.402 18916 7640 1 17 . 1 1 19 19 TYR N N 19 121.021 121.021 122.336 -1.315 18916 7641 1 17 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.496 -0.046 18916 7642 1 17 . 1 1 19 19 TYR C C 19 176.147 176.147 175.108 1.039 18916 7643 1 17 . 1 1 19 19 TYR CA C 19 58.982 58.982 58.751 0.231 18916 7644 1 17 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.508 0.193 18916 7645 1 17 . 1 1 19 19 TYR H H 19 8.651 8.651 8.694 -0.043 18916 7646 1 17 . 1 1 20 20 THR N N 20 117.677 117.677 113.235 4.442 18916 7647 1 17 . 1 1 20 20 THR HA H 20 4.279 4.279 4.579 -0.300 18916 7648 1 17 . 1 1 20 20 THR C C 20 171.803 171.803 172.636 -0.833 18916 7649 1 17 . 1 1 20 20 THR CA C 20 59.986 59.986 60.631 -0.645 18916 7650 1 17 . 1 1 20 20 THR CB C 20 73.362 73.362 71.644 1.718 18916 7651 1 17 . 1 1 20 20 THR H H 20 7.242 7.242 8.282 -1.040 18916 7652 1 17 . 1 1 21 21 LYS N N 21 120.592 120.592 124.730 -4.138 18916 7653 1 17 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.842 -0.795 18916 7654 1 17 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.239 1.791 18916 7655 1 17 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.894 1.932 18916 7656 1 17 . 1 1 21 21 LYS H H 21 7.718 7.718 8.442 -0.724 18916 7657 1 17 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.439 0.151 18916 7658 1 17 . 1 1 22 22 PRO C C 22 175.043 175.043 176.908 -1.865 18916 7659 1 17 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.498 0.450 18916 7660 1 17 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.331 2.209 18916 7661 1 17 . 1 1 23 23 GLY N N 23 105.352 105.352 106.555 -1.203 18916 7662 1 17 . 1 1 23 23 GLY C C 23 172.762 172.762 175.936 -3.174 18916 7663 1 17 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.351 0.529 18916 7664 1 17 . 1 1 23 23 GLY H H 23 8.356 8.356 8.461 -0.105 18916 7665 1 17 . 1 1 24 24 ARG N N 24 119.274 119.274 122.059 -2.785 18916 7666 1 17 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.590 -0.315 18916 7667 1 17 . 1 1 24 24 ARG C C 24 176.263 176.263 178.061 -1.798 18916 7668 1 17 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.685 1.235 18916 7669 1 17 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.375 0.956 18916 7670 1 17 . 1 1 24 24 ARG H H 24 7.813 7.813 8.682 -0.869 18916 7671 1 17 . 1 1 25 25 LEU N N 25 116.403 116.403 116.001 0.402 18916 7672 1 17 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.278 -0.588 18916 7673 1 17 . 1 1 25 25 LEU C C 25 179.562 179.562 178.754 0.808 18916 7674 1 17 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.468 0.923 18916 7675 1 17 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.863 -0.019 18916 7676 1 17 . 1 1 25 25 LEU H H 25 8.156 8.156 7.892 0.264 18916 7677 1 17 . 1 1 26 26 GLN N N 26 118.294 118.294 119.084 -0.790 18916 7678 1 17 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.293 -0.327 18916 7679 1 17 . 1 1 26 26 GLN C C 26 179.358 179.358 178.582 0.776 18916 7680 1 17 . 1 1 26 26 GLN CA C 26 59.322 59.322 57.730 1.592 18916 7681 1 17 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.411 -0.354 18916 7682 1 17 . 1 1 26 26 GLN H H 26 7.423 7.423 7.514 -0.091 18916 7683 1 17 . 1 1 27 27 LEU N N 27 119.419 119.419 119.607 -0.188 18916 7684 1 17 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.694 0.234 18916 7685 1 17 . 1 1 27 27 LEU C C 27 178.777 178.777 178.910 -0.133 18916 7686 1 17 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.231 -0.207 18916 7687 1 17 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.555 0.335 18916 7688 1 17 . 1 1 27 27 LEU H H 27 8.127 8.127 8.016 0.111 18916 7689 1 17 . 1 1 28 28 HIS N N 28 118.332 118.332 117.396 0.936 18916 7690 1 17 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.866 -0.124 18916 7691 1 17 . 1 1 28 28 HIS C C 28 177.121 177.121 177.610 -0.489 18916 7692 1 17 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.325 -1.527 18916 7693 1 17 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.497 -0.056 18916 7694 1 17 . 1 1 28 28 HIS H H 28 8.727 8.727 7.885 0.842 18916 7695 1 17 . 1 1 29 29 GLU N N 29 116.699 116.699 119.221 -2.522 18916 7696 1 17 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.908 0.070 18916 7697 1 17 . 1 1 29 29 GLU C C 29 178.951 178.951 179.071 -0.120 18916 7698 1 17 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.033 0.243 18916 7699 1 17 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.497 0.187 18916 7700 1 17 . 1 1 29 29 GLU H H 29 7.518 7.518 7.630 -0.112 18916 7701 1 17 . 1 1 30 30 MET N N 30 118.090 118.090 117.020 1.070 18916 7702 1 17 . 1 1 30 30 MET HA H 30 4.055 4.055 4.166 -0.111 18916 7703 1 17 . 1 1 30 30 MET C C 30 177.992 177.992 178.607 -0.615 18916 7704 1 17 . 1 1 30 30 MET CA C 30 60.040 60.040 58.036 2.004 18916 7705 1 17 . 1 1 30 30 MET CB C 30 34.522 34.522 32.038 2.485 18916 7706 1 17 . 1 1 30 30 MET H H 30 7.766 7.766 7.800 -0.034 18916 7707 1 17 . 1 1 31 31 ILE N N 31 118.458 118.458 118.181 0.277 18916 7708 1 17 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.124 0.128 18916 7709 1 17 . 1 1 31 31 ILE C C 31 178.007 178.007 178.318 -0.311 18916 7710 1 17 . 1 1 31 31 ILE CA C 31 64.891 64.891 64.505 0.386 18916 7711 1 17 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.592 0.590 18916 7712 1 17 . 1 1 31 31 ILE H H 31 8.337 8.337 7.422 0.915 18916 7713 1 17 . 1 1 32 32 VAL N N 32 117.878 117.878 120.216 -2.338 18916 7714 1 17 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.062 -0.059 18916 7715 1 17 . 1 1 32 32 VAL C C 32 180.884 180.884 178.734 2.150 18916 7716 1 17 . 1 1 32 32 VAL CA C 32 65.376 65.376 66.379 -1.003 18916 7717 1 17 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.686 0.311 18916 7718 1 17 . 1 1 32 32 VAL H H 32 7.888 7.888 7.663 0.225 18916 7719 1 17 . 1 1 33 33 LEU N N 33 123.609 123.609 117.350 6.259 18916 7720 1 17 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.109 -0.036 18916 7721 1 17 . 1 1 33 33 LEU C C 33 177.498 177.498 177.221 0.277 18916 7722 1 17 . 1 1 33 33 LEU CA C 33 57.662 57.662 56.810 0.852 18916 7723 1 17 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.535 1.755 18916 7724 1 17 . 1 1 33 33 LEU H H 33 8.281 8.281 7.819 0.462 18916 7725 1 17 . 1 1 34 34 HIS N N 34 113.272 113.272 114.797 -1.525 18916 7726 1 17 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.758 -0.043 18916 7727 1 17 . 1 1 34 34 HIS C C 34 175.464 175.464 175.773 -0.309 18916 7728 1 17 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.416 0.980 18916 7729 1 17 . 1 1 34 34 HIS CB C 34 29.768 29.768 30.662 -0.894 18916 7730 1 17 . 1 1 34 34 HIS H H 34 7.319 7.319 7.471 -0.152 18916 7731 1 17 . 1 1 35 35 GLY N N 35 104.307 104.307 108.077 -3.770 18916 7732 1 17 . 1 1 35 35 GLY C C 35 174.985 174.985 173.893 1.092 18916 7733 1 17 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.593 1.721 18916 7734 1 17 . 1 1 35 35 GLY H H 35 7.392 7.392 8.053 -0.661 18916 7735 1 17 . 1 1 36 36 GLY N N 36 108.630 108.630 106.726 1.904 18916 7736 1 17 . 1 1 36 36 GLY C C 36 171.701 171.701 172.595 -0.894 18916 7737 1 17 . 1 1 36 36 GLY CA C 36 44.392 44.392 43.770 0.622 18916 7738 1 17 . 1 1 36 36 GLY H H 36 8.763 8.763 7.858 0.905 18916 7739 1 17 . 1 1 37 37 LYS N N 37 115.119 115.119 119.925 -4.806 18916 7740 1 17 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.967 -0.353 18916 7741 1 17 . 1 1 37 37 LYS C C 37 174.302 174.302 175.110 -0.808 18916 7742 1 17 . 1 1 37 37 LYS CA C 37 54.319 54.319 53.736 0.583 18916 7743 1 17 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.230 1.020 18916 7744 1 17 . 1 1 37 37 LYS H H 37 7.406 7.406 8.000 -0.594 18916 7745 1 17 . 1 1 38 38 PHE N N 38 117.196 117.196 120.891 -3.695 18916 7746 1 17 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.565 0.323 18916 7747 1 17 . 1 1 38 38 PHE C C 38 173.604 173.604 173.977 -0.373 18916 7748 1 17 . 1 1 38 38 PHE CA C 38 54.852 54.852 54.859 -0.007 18916 7749 1 17 . 1 1 38 38 PHE CB C 38 43.379 43.379 41.657 1.722 18916 7750 1 17 . 1 1 38 38 PHE H H 38 7.844 7.844 8.263 -0.419 18916 7751 1 17 . 1 1 39 39 LEU N N 39 119.576 119.576 121.362 -1.786 18916 7752 1 17 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.654 -0.050 18916 7753 1 17 . 1 1 39 39 LEU CA C 39 52.661 52.661 52.987 -0.326 18916 7754 1 17 . 1 1 39 39 LEU CB C 39 45.901 45.901 46.667 -0.766 18916 7755 1 17 . 1 1 39 39 LEU H H 39 8.223 8.223 8.645 -0.422 18916 7756 1 17 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.485 0.154 18916 7757 1 17 . 1 1 40 40 HIS C C 40 174.694 174.694 174.828 -0.134 18916 7758 1 17 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.651 1.019 18916 7759 1 17 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.353 1.537 18916 7760 1 17 . 1 1 41 41 TYR N N 41 115.005 115.005 117.647 -2.642 18916 7761 1 17 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.406 0.254 18916 7762 1 17 . 1 1 41 41 TYR C C 41 173.023 173.023 173.556 -0.533 18916 7763 1 17 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.350 -1.452 18916 7764 1 17 . 1 1 41 41 TYR CB C 41 40.313 40.313 40.654 -0.341 18916 7765 1 17 . 1 1 41 41 TYR H H 41 7.363 7.363 7.928 -0.565 18916 7766 1 17 . 1 1 42 42 LEU N N 42 121.687 121.687 124.156 -2.469 18916 7767 1 17 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.358 -0.470 18916 7768 1 17 . 1 1 42 42 LEU CA C 42 54.041 54.041 54.206 -0.165 18916 7769 1 17 . 1 1 42 42 LEU CB C 42 41.096 41.096 41.259 -0.163 18916 7770 1 17 . 1 1 42 42 LEU H H 42 8.252 8.252 7.546 0.706 18916 7771 1 17 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.242 -0.008 18916 7772 1 17 . 1 1 46 46 LYS CA C 46 56.885 56.885 57.833 -0.948 18916 7773 1 17 . 1 1 46 46 LYS CB C 46 32.542 32.542 31.887 0.655 18916 7774 1 17 . 1 1 47 47 THR HA H 47 4.168 4.168 4.419 -0.251 18916 7775 1 17 . 1 1 47 47 THR C C 47 174.186 174.186 173.211 0.975 18916 7776 1 17 . 1 1 47 47 THR CA C 47 62.706 62.706 61.864 0.842 18916 7777 1 17 . 1 1 47 47 THR CB C 47 69.762 69.762 69.302 0.460 18916 7778 1 17 . 1 1 48 48 VAL N N 48 123.218 123.218 119.672 3.546 18916 7779 1 17 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.480 -0.637 18916 7780 1 17 . 1 1 48 48 VAL C C 48 174.985 174.985 174.626 0.359 18916 7781 1 17 . 1 1 48 48 VAL CA C 48 62.146 62.146 60.918 1.228 18916 7782 1 17 . 1 1 48 48 VAL CB C 48 33.167 33.167 34.974 -1.807 18916 7783 1 17 . 1 1 48 48 VAL H H 48 7.771 7.771 7.364 0.407 18916 7784 1 17 . 1 1 49 49 THR N N 49 116.982 116.982 118.067 -1.085 18916 7785 1 17 . 1 1 49 49 THR HA H 49 4.319 4.319 4.462 -0.143 18916 7786 1 17 . 1 1 49 49 THR C C 49 176.118 176.118 173.912 2.206 18916 7787 1 17 . 1 1 49 49 THR CA C 49 62.831 62.831 61.726 1.105 18916 7788 1 17 . 1 1 49 49 THR CB C 49 69.114 69.114 70.388 -1.274 18916 7789 1 17 . 1 1 49 49 THR H H 49 9.798 9.798 8.358 1.440 18916 7790 1 17 . 1 1 50 50 HIS N N 50 121.799 121.799 119.386 2.413 18916 7791 1 17 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.294 -0.378 18916 7792 1 17 . 1 1 50 50 HIS C C 50 172.849 172.849 173.313 -0.464 18916 7793 1 17 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.575 2.079 18916 7794 1 17 . 1 1 50 50 HIS CB C 50 34.649 34.649 33.296 1.353 18916 7795 1 17 . 1 1 50 50 HIS H H 50 7.596 7.596 8.117 -0.521 18916 7796 1 17 . 1 1 51 51 ILE N N 51 123.013 123.013 125.113 -2.100 18916 7797 1 17 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.824 0.156 18916 7798 1 17 . 1 1 51 51 ILE C C 51 174.505 174.505 175.121 -0.616 18916 7799 1 17 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.119 -1.152 18916 7800 1 17 . 1 1 51 51 ILE CB C 51 39.153 39.153 39.980 -0.827 18916 7801 1 17 . 1 1 51 51 ILE H H 51 8.996 8.996 8.177 0.819 18916 7802 1 17 . 1 1 52 52 VAL N N 52 127.413 127.413 129.224 -1.811 18916 7803 1 17 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.932 0.370 18916 7804 1 17 . 1 1 52 52 VAL C C 52 174.084 174.084 174.533 -0.449 18916 7805 1 17 . 1 1 52 52 VAL CA C 52 59.207 59.207 61.674 -2.467 18916 7806 1 17 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.352 0.907 18916 7807 1 17 . 1 1 52 52 VAL H H 52 8.821 8.821 8.488 0.333 18916 7808 1 17 . 1 1 53 53 ALA N N 53 127.601 127.601 130.126 -2.525 18916 7809 1 17 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.571 -0.949 18916 7810 1 17 . 1 1 53 53 ALA C C 53 174.680 174.680 175.897 -1.217 18916 7811 1 17 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.273 0.637 18916 7812 1 17 . 1 1 53 53 ALA CB C 53 23.160 23.160 23.228 -0.068 18916 7813 1 17 . 1 1 53 53 ALA H H 53 8.967 8.967 8.760 0.207 18916 7814 1 17 . 1 1 54 54 SER N N 54 113.005 113.005 115.340 -2.335 18916 7815 1 17 . 1 1 54 54 SER HA H 54 4.657 4.657 4.694 -0.037 18916 7816 1 17 . 1 1 54 54 SER C C 54 174.229 174.229 174.607 -0.378 18916 7817 1 17 . 1 1 54 54 SER CA C 54 59.671 59.671 59.028 0.643 18916 7818 1 17 . 1 1 54 54 SER CB C 54 64.852 64.852 64.602 0.250 18916 7819 1 17 . 1 1 54 54 SER H H 54 9.303 9.303 8.347 0.956 18916 7820 1 17 . 1 1 55 55 ASN N N 55 117.475 117.475 120.168 -2.693 18916 7821 1 17 . 1 1 55 55 ASN HA H 55 4.601 4.601 5.009 -0.408 18916 7822 1 17 . 1 1 55 55 ASN C C 55 173.052 173.052 173.105 -0.053 18916 7823 1 17 . 1 1 55 55 ASN CA C 55 53.125 53.125 53.107 0.018 18916 7824 1 17 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.147 0.463 18916 7825 1 17 . 1 1 55 55 ASN H H 55 7.917 7.917 8.071 -0.154 18916 7826 1 17 . 1 1 56 56 LEU N N 56 122.146 122.146 124.600 -2.454 18916 7827 1 17 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.809 -0.009 18916 7828 1 17 . 1 1 56 56 LEU CA C 56 51.905 51.905 52.376 -0.471 18916 7829 1 17 . 1 1 56 56 LEU CB C 56 44.592 44.592 45.562 -0.970 18916 7830 1 17 . 1 1 56 56 LEU H H 56 8.792 8.792 8.407 0.385 18916 7831 1 17 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.525 0.040 18916 7832 1 17 . 1 1 57 57 PRO CA C 57 62.190 62.190 63.066 -0.876 18916 7833 1 17 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.310 0.189 18916 7834 1 17 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.910 0.010 18916 7835 1 17 . 1 1 58 58 LEU C C 58 178.806 178.806 178.622 0.184 18916 7836 1 17 . 1 1 58 58 LEU CA C 58 59.172 59.172 59.026 0.146 18916 7837 1 17 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.680 -0.091 18916 7838 1 17 . 1 1 59 59 LYS N N 59 115.039 115.039 118.267 -3.228 18916 7839 1 17 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.044 -0.072 18916 7840 1 17 . 1 1 59 59 LYS C C 59 179.053 179.053 178.949 0.104 18916 7841 1 17 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.741 0.783 18916 7842 1 17 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.554 0.857 18916 7843 1 17 . 1 1 59 59 LYS H H 59 8.763 8.763 8.274 0.489 18916 7844 1 17 . 1 1 60 60 LYS N N 60 116.433 116.433 120.292 -3.859 18916 7845 1 17 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.874 0.086 18916 7846 1 17 . 1 1 60 60 LYS C C 60 176.874 176.874 178.840 -1.966 18916 7847 1 17 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.426 -2.705 18916 7848 1 17 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.998 -0.066 18916 7849 1 17 . 1 1 60 60 LYS H H 60 7.158 7.158 8.138 -0.980 18916 7850 1 17 . 1 1 61 61 ARG N N 61 120.369 120.369 118.454 1.915 18916 7851 1 17 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.205 -0.381 18916 7852 1 17 . 1 1 61 61 ARG C C 61 179.213 179.213 178.200 1.013 18916 7853 1 17 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.075 0.739 18916 7854 1 17 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.292 -0.422 18916 7855 1 17 . 1 1 61 61 ARG H H 61 7.902 7.902 7.834 0.068 18916 7856 1 17 . 1 1 62 62 ILE N N 62 117.956 117.956 117.184 0.772 18916 7857 1 17 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.868 -0.060 18916 7858 1 17 . 1 1 62 62 ILE C C 62 178.966 178.966 178.210 0.756 18916 7859 1 17 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.339 -0.177 18916 7860 1 17 . 1 1 62 62 ILE CB C 62 38.019 38.019 38.198 -0.179 18916 7861 1 17 . 1 1 62 62 ILE H H 62 7.727 7.727 7.862 -0.135 18916 7862 1 17 . 1 1 63 63 GLU N N 63 121.877 121.877 121.227 0.650 18916 7863 1 17 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.186 -0.236 18916 7864 1 17 . 1 1 63 63 GLU C C 63 178.792 178.792 178.800 -0.008 18916 7865 1 17 . 1 1 63 63 GLU CA C 63 59.302 59.302 59.271 0.031 18916 7866 1 17 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.930 -0.108 18916 7867 1 17 . 1 1 63 63 GLU H H 63 7.713 7.713 7.826 -0.113 18916 7868 1 17 . 1 1 64 64 PHE N N 64 115.684 115.684 117.963 -2.279 18916 7869 1 17 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.920 0.158 18916 7870 1 17 . 1 1 64 64 PHE C C 64 175.886 175.886 176.513 -0.627 18916 7871 1 17 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.529 -1.669 18916 7872 1 17 . 1 1 64 64 PHE CB C 64 37.431 37.431 37.549 -0.118 18916 7873 1 17 . 1 1 64 64 PHE H H 64 8.077 8.077 8.082 -0.005 18916 7874 1 17 . 1 1 65 65 ALA N N 65 122.616 122.616 123.211 -0.595 18916 7875 1 17 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.334 -0.170 18916 7876 1 17 . 1 1 65 65 ALA C C 65 178.356 178.356 178.319 0.037 18916 7877 1 17 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.037 1.384 18916 7878 1 17 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.799 0.445 18916 7879 1 17 . 1 1 65 65 ALA H H 65 7.290 7.290 7.288 0.002 18916 7880 1 17 . 1 1 66 66 ASN N N 66 112.567 112.567 114.776 -2.209 18916 7881 1 17 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.549 0.056 18916 7882 1 17 . 1 1 66 66 ASN C C 66 174.374 174.374 174.377 -0.003 18916 7883 1 17 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.707 -1.353 18916 7884 1 17 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.935 -1.016 18916 7885 1 17 . 1 1 66 66 ASN H H 66 8.602 8.602 7.989 0.613 18916 7886 1 17 . 1 1 67 67 TYR N N 67 118.682 118.682 117.510 1.172 18916 7887 1 17 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.442 0.086 18916 7888 1 17 . 1 1 67 67 TYR C C 67 175.072 175.072 175.271 -0.199 18916 7889 1 17 . 1 1 67 67 TYR CA C 67 56.641 56.641 56.966 -0.325 18916 7890 1 17 . 1 1 67 67 TYR CB C 67 40.822 40.822 41.562 -0.740 18916 7891 1 17 . 1 1 67 67 TYR H H 67 7.873 7.873 7.595 0.278 18916 7892 1 17 . 1 1 68 68 LYS N N 68 121.419 121.419 123.247 -1.828 18916 7893 1 17 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.244 -0.444 18916 7894 1 17 . 1 1 68 68 LYS C C 68 174.491 174.491 175.507 -1.016 18916 7895 1 17 . 1 1 68 68 LYS CA C 68 56.246 56.246 55.552 0.694 18916 7896 1 17 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.613 2.051 18916 7897 1 17 . 1 1 68 68 LYS H H 68 7.771 7.771 8.344 -0.573 18916 7898 1 17 . 1 1 69 69 VAL N N 69 126.113 126.113 122.046 4.067 18916 7899 1 17 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.846 0.336 18916 7900 1 17 . 1 1 69 69 VAL C C 69 176.365 176.365 175.624 0.741 18916 7901 1 17 . 1 1 69 69 VAL CA C 69 60.879 60.879 61.447 -0.568 18916 7902 1 17 . 1 1 69 69 VAL CB C 69 32.355 32.355 32.574 -0.219 18916 7903 1 17 . 1 1 69 69 VAL H H 69 8.384 8.384 7.888 0.496 18916 7904 1 17 . 1 1 70 70 VAL N N 70 120.358 120.358 120.884 -0.526 18916 7905 1 17 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.119 0.258 18916 7906 1 17 . 1 1 70 70 VAL C C 70 174.040 174.040 175.085 -1.045 18916 7907 1 17 . 1 1 70 70 VAL CA C 70 57.849 57.849 59.539 -1.690 18916 7908 1 17 . 1 1 70 70 VAL CB C 70 36.753 36.753 36.525 0.228 18916 7909 1 17 . 1 1 70 70 VAL H H 70 9.390 9.390 8.628 0.762 18916 7910 1 17 . 1 1 71 71 SER N N 71 114.634 114.634 114.888 -0.254 18916 7911 1 17 . 1 1 71 71 SER HA H 71 5.630 5.630 5.731 -0.101 18916 7912 1 17 . 1 1 71 71 SER CA C 71 60.584 60.584 55.347 5.237 18916 7913 1 17 . 1 1 71 71 SER CB C 71 60.367 60.367 63.194 -2.827 18916 7914 1 17 . 1 1 71 71 SER H H 71 8.354 8.354 8.498 -0.144 18916 7915 1 17 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.372 -0.236 18916 7916 1 17 . 1 1 72 72 PRO C C 72 177.193 177.193 177.766 -0.573 18916 7917 1 17 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.475 -0.413 18916 7918 1 17 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.678 0.661 18916 7919 1 17 . 1 1 73 73 ASP N N 73 115.868 115.868 118.436 -2.568 18916 7920 1 17 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.362 -0.160 18916 7921 1 17 . 1 1 73 73 ASP C C 73 175.450 175.450 177.864 -2.414 18916 7922 1 17 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.596 -2.171 18916 7923 1 17 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.968 -0.613 18916 7924 1 17 . 1 1 73 73 ASP H H 73 8.427 8.427 8.588 -0.161 18916 7925 1 17 . 1 1 74 74 TRP N N 74 121.252 121.252 121.380 -0.128 18916 7926 1 17 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.325 -0.707 18916 7927 1 17 . 1 1 74 74 TRP C C 74 178.472 178.472 177.439 1.033 18916 7928 1 17 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.471 -0.456 18916 7929 1 17 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.233 -0.503 18916 7930 1 17 . 1 1 74 74 TRP H H 74 7.833 7.833 7.637 0.196 18916 7931 1 17 . 1 1 75 75 ILE N N 75 116.185 116.185 119.556 -3.371 18916 7932 1 17 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.690 -0.446 18916 7933 1 17 . 1 1 75 75 ILE C C 75 176.728 176.728 178.179 -1.451 18916 7934 1 17 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.105 -1.210 18916 7935 1 17 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.719 -0.498 18916 7936 1 17 . 1 1 75 75 ILE H H 75 6.969 6.969 7.427 -0.458 18916 7937 1 17 . 1 1 76 76 VAL N N 76 117.042 117.042 119.959 -2.917 18916 7938 1 17 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.484 -0.288 18916 7939 1 17 . 1 1 76 76 VAL C C 76 178.675 178.675 178.142 0.533 18916 7940 1 17 . 1 1 76 76 VAL CA C 76 66.945 66.945 66.879 0.066 18916 7941 1 17 . 1 1 76 76 VAL CB C 76 32.645 32.645 30.868 1.777 18916 7942 1 17 . 1 1 76 76 VAL H H 76 7.056 7.056 8.053 -0.997 18916 7943 1 17 . 1 1 77 77 ASP N N 77 120.009 120.009 118.231 1.778 18916 7944 1 17 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.344 -0.040 18916 7945 1 17 . 1 1 77 77 ASP C C 77 178.515 178.515 178.000 0.515 18916 7946 1 17 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.370 -0.372 18916 7947 1 17 . 1 1 77 77 ASP CB C 77 38.850 38.850 41.028 -2.178 18916 7948 1 17 . 1 1 77 77 ASP H H 77 9.171 9.171 7.890 1.281 18916 7949 1 17 . 1 1 78 78 SER N N 78 117.973 117.973 115.679 2.294 18916 7950 1 17 . 1 1 78 78 SER HA H 78 4.391 4.391 4.023 0.368 18916 7951 1 17 . 1 1 78 78 SER C C 78 175.290 175.290 176.382 -1.092 18916 7952 1 17 . 1 1 78 78 SER CA C 78 62.948 62.948 61.484 1.464 18916 7953 1 17 . 1 1 78 78 SER CB C 78 63.080 63.080 62.877 0.203 18916 7954 1 17 . 1 1 78 78 SER H H 78 7.056 7.056 7.539 -0.483 18916 7955 1 17 . 1 1 79 79 VAL N N 79 119.889 119.889 121.701 -1.812 18916 7956 1 17 . 1 1 79 79 VAL HA H 79 2.908 2.908 2.901 0.007 18916 7957 1 17 . 1 1 79 79 VAL C C 79 179.169 179.169 177.565 1.604 18916 7958 1 17 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.015 1.849 18916 7959 1 17 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.016 -0.186 18916 7960 1 17 . 1 1 79 79 VAL H H 79 7.596 7.596 7.707 -0.111 18916 7961 1 17 . 1 1 80 80 LYS N N 80 121.062 121.062 118.759 2.303 18916 7962 1 17 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.052 -0.162 18916 7963 1 17 . 1 1 80 80 LYS C C 80 178.806 178.806 178.562 0.244 18916 7964 1 17 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.795 0.984 18916 7965 1 17 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.541 -0.209 18916 7966 1 17 . 1 1 80 80 LYS H H 80 7.946 7.946 7.386 0.560 18916 7967 1 17 . 1 1 81 81 GLU N N 81 115.870 115.870 115.864 0.006 18916 7968 1 17 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.350 -0.222 18916 7969 1 17 . 1 1 81 81 GLU C C 81 174.912 174.912 176.142 -1.230 18916 7970 1 17 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.979 0.491 18916 7971 1 17 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.855 -0.242 18916 7972 1 17 . 1 1 81 81 GLU H H 81 8.063 8.063 8.000 0.063 18916 7973 1 17 . 1 1 82 82 ALA N N 82 122.380 122.380 120.658 1.722 18916 7974 1 17 . 1 1 82 82 ALA HA H 82 3.708 3.708 4.125 -0.417 18916 7975 1 17 . 1 1 82 82 ALA C C 82 175.711 175.711 176.122 -0.411 18916 7976 1 17 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.317 -0.856 18916 7977 1 17 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.285 -0.704 18916 7978 1 17 . 1 1 82 82 ALA H H 82 7.931 7.931 7.774 0.157 18916 7979 1 17 . 1 1 83 83 ARG N N 83 115.619 115.619 114.447 1.172 18916 7980 1 17 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.651 -0.461 18916 7981 1 17 . 1 1 83 83 ARG C C 83 172.050 172.050 173.842 -1.792 18916 7982 1 17 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.648 1.514 18916 7983 1 17 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.886 -0.531 18916 7984 1 17 . 1 1 83 83 ARG H H 83 8.165 8.165 7.535 0.630 18916 7985 1 17 . 1 1 84 84 LEU N N 84 120.648 120.648 122.111 -1.463 18916 7986 1 17 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.363 -0.647 18916 7987 1 17 . 1 1 84 84 LEU C C 84 176.917 176.917 175.483 1.434 18916 7988 1 17 . 1 1 84 84 LEU CA C 84 54.985 54.985 54.732 0.253 18916 7989 1 17 . 1 1 84 84 LEU CB C 84 41.311 41.311 42.220 -0.909 18916 7990 1 17 . 1 1 84 84 LEU H H 84 8.325 8.325 8.394 -0.069 18916 7991 1 17 . 1 1 85 85 LEU N N 85 132.955 132.955 128.794 4.161 18916 7992 1 17 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.991 -0.394 18916 7993 1 17 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.472 2.176 18916 7994 1 17 . 1 1 85 85 LEU CB C 85 40.363 40.363 43.389 -3.026 18916 7995 1 17 . 1 1 85 85 LEU H H 85 7.946 7.946 8.216 -0.270 18916 7996 1 17 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.707 -0.122 18916 7997 1 17 . 1 1 86 86 PRO C C 86 178.835 178.835 177.706 1.129 18916 7998 1 17 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.172 0.603 18916 7999 1 17 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.277 0.272 18916 8000 1 17 . 1 1 87 87 TRP N N 87 128.323 128.323 126.629 1.694 18916 8001 1 17 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.467 0.168 18916 8002 1 17 . 1 1 87 87 TRP C C 87 177.963 177.963 177.011 0.952 18916 8003 1 17 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.278 0.275 18916 8004 1 17 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.409 -0.448 18916 8005 1 17 . 1 1 87 87 TRP H H 87 8.369 8.369 8.731 -0.362 18916 8006 1 17 . 1 1 88 88 GLN N N 88 120.928 120.928 118.960 1.968 18916 8007 1 17 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.405 -0.500 18916 8008 1 17 . 1 1 88 88 GLN C C 88 178.196 178.196 177.638 0.558 18916 8009 1 17 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.776 2.146 18916 8010 1 17 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.332 -0.873 18916 8011 1 17 . 1 1 88 88 GLN H H 88 8.354 8.354 7.781 0.573 18916 8012 1 17 . 1 1 89 89 ASN N N 89 116.452 116.452 118.292 -1.840 18916 8013 1 17 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.461 -0.162 18916 8014 1 17 . 1 1 89 89 ASN C C 89 174.752 174.752 175.711 -0.959 18916 8015 1 17 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.875 -0.744 18916 8016 1 17 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.476 -1.115 18916 8017 1 17 . 1 1 89 89 ASN H H 89 7.304 7.304 7.781 -0.477 18916 8018 1 17 . 1 1 90 90 TYR N N 90 118.336 118.336 114.838 3.498 18916 8019 1 17 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.663 -0.049 18916 8020 1 17 . 1 1 90 90 TYR C C 90 174.534 174.534 175.264 -0.730 18916 8021 1 17 . 1 1 90 90 TYR CA C 90 57.534 57.534 56.856 0.678 18916 8022 1 17 . 1 1 90 90 TYR CB C 90 40.153 40.153 39.105 1.048 18916 8023 1 17 . 1 1 90 90 TYR H H 90 8.048 8.048 7.612 0.436 18916 8024 1 17 . 1 1 91 91 SER N N 91 114.053 114.053 116.357 -2.304 18916 8025 1 17 . 1 1 91 91 SER HA H 91 5.015 5.015 4.764 0.251 18916 8026 1 17 . 1 1 91 91 SER C C 91 176.205 176.205 175.367 0.838 18916 8027 1 17 . 1 1 91 91 SER CA C 91 58.037 58.037 58.536 -0.499 18916 8028 1 17 . 1 1 91 91 SER CB C 91 64.342 64.342 63.427 0.915 18916 8029 1 17 . 1 1 91 91 SER H H 91 7.012 7.012 7.315 -0.303 18916 8030 1 17 . 1 1 92 92 LEU N N 92 126.106 126.106 129.320 -3.214 18916 8031 1 17 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.645 -0.040 18916 8032 1 17 . 1 1 92 92 LEU C C 92 177.687 177.687 177.716 -0.029 18916 8033 1 17 . 1 1 92 92 LEU CA C 92 55.405 55.405 54.709 0.696 18916 8034 1 17 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.468 1.419 18916 8035 1 17 . 1 1 92 92 LEU H H 92 8.777 8.777 8.666 0.111 18916 8036 1 17 . 1 1 93 93 THR N N 93 112.458 112.458 114.480 -2.022 18916 8037 1 17 . 1 1 93 93 THR HA H 93 4.489 4.489 4.216 0.273 18916 8038 1 17 . 1 1 93 93 THR C C 93 173.851 173.851 174.482 -0.631 18916 8039 1 17 . 1 1 93 93 THR CA C 93 61.318 61.318 64.538 -3.220 18916 8040 1 17 . 1 1 93 93 THR CB C 93 69.853 69.853 68.839 1.014 18916 8041 1 17 . 1 1 93 93 THR H H 93 8.252 8.252 7.635 0.617 18916 8042 1 18 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.061 -0.279 18916 8043 1 18 . 1 1 4 4 GLN CA C 4 56.878 56.878 56.011 0.867 18916 8044 1 18 . 1 1 4 4 GLN CB C 4 29.441 29.441 28.363 1.078 18916 8045 1 18 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.541 0.013 18916 8046 1 18 . 1 1 7 7 LYS C C 7 178.298 178.298 177.656 0.642 18916 8047 1 18 . 1 1 7 7 LYS CA C 7 54.750 54.750 56.084 -1.334 18916 8048 1 18 . 1 1 7 7 LYS CB C 7 32.593 32.593 31.111 1.482 18916 8049 1 18 . 1 1 8 8 ILE N N 8 119.676 119.676 121.606 -1.930 18916 8050 1 18 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.653 -0.069 18916 8051 1 18 . 1 1 8 8 ILE C C 8 177.164 177.164 176.353 0.811 18916 8052 1 18 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.066 1.846 18916 8053 1 18 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.867 1.107 18916 8054 1 18 . 1 1 8 8 ILE H H 8 7.633 7.633 7.739 -0.106 18916 8055 1 18 . 1 1 9 9 PHE N N 9 113.639 113.639 112.952 0.687 18916 8056 1 18 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.724 0.188 18916 8057 1 18 . 1 1 9 9 PHE C C 9 174.520 174.520 176.881 -2.361 18916 8058 1 18 . 1 1 9 9 PHE CA C 9 57.039 57.039 57.071 -0.032 18916 8059 1 18 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.472 -0.758 18916 8060 1 18 . 1 1 9 9 PHE H H 9 8.403 8.403 7.969 0.434 18916 8061 1 18 . 1 1 10 10 LYS N N 10 120.104 120.104 122.567 -2.463 18916 8062 1 18 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.175 -0.032 18916 8063 1 18 . 1 1 10 10 LYS C C 10 177.600 177.600 177.537 0.063 18916 8064 1 18 . 1 1 10 10 LYS CA C 10 58.508 58.508 59.297 -0.789 18916 8065 1 18 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.436 0.004 18916 8066 1 18 . 1 1 10 10 LYS H H 10 7.328 7.328 7.598 -0.270 18916 8067 1 18 . 1 1 11 11 ASN N N 11 116.960 116.960 113.681 3.279 18916 8068 1 18 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.745 -0.200 18916 8069 1 18 . 1 1 11 11 ASN C C 11 175.566 175.566 175.726 -0.160 18916 8070 1 18 . 1 1 11 11 ASN CA C 11 55.479 55.479 53.672 1.806 18916 8071 1 18 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.380 -0.852 18916 8072 1 18 . 1 1 11 11 ASN H H 11 8.984 8.984 8.610 0.374 18916 8073 1 18 . 1 1 12 12 CYS N N 12 118.344 118.344 120.625 -2.281 18916 8074 1 18 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.777 0.349 18916 8075 1 18 . 1 1 12 12 CYS C C 12 175.014 175.014 173.657 1.357 18916 8076 1 18 . 1 1 12 12 CYS CA C 12 59.549 59.549 58.078 1.471 18916 8077 1 18 . 1 1 12 12 CYS CB C 12 29.319 29.319 29.652 -0.333 18916 8078 1 18 . 1 1 12 12 CYS H H 12 8.460 8.460 7.710 0.750 18916 8079 1 18 . 1 1 13 13 VAL N N 13 128.765 128.765 126.198 2.567 18916 8080 1 18 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.365 0.024 18916 8081 1 18 . 1 1 13 13 VAL C C 13 174.912 174.912 174.673 0.239 18916 8082 1 18 . 1 1 13 13 VAL CA C 13 62.294 62.294 62.605 -0.312 18916 8083 1 18 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.380 1.088 18916 8084 1 18 . 1 1 13 13 VAL H H 13 9.878 9.878 8.989 0.889 18916 8085 1 18 . 1 1 14 14 ILE N N 14 128.270 128.270 127.372 0.898 18916 8086 1 18 . 1 1 14 14 ILE HA H 14 5.200 5.200 4.957 0.243 18916 8087 1 18 . 1 1 14 14 ILE C C 14 174.098 174.098 175.033 -0.935 18916 8088 1 18 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.819 0.485 18916 8089 1 18 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.489 1.055 18916 8090 1 18 . 1 1 14 14 ILE H H 14 8.841 8.841 8.554 0.287 18916 8091 1 18 . 1 1 15 15 TYR N N 15 125.475 125.475 129.107 -3.632 18916 8092 1 18 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.511 -0.402 18916 8093 1 18 . 1 1 15 15 TYR C C 15 173.023 173.023 173.649 -0.626 18916 8094 1 18 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.171 0.715 18916 8095 1 18 . 1 1 15 15 TYR CB C 15 42.813 42.813 42.071 0.742 18916 8096 1 18 . 1 1 15 15 TYR H H 15 8.023 8.023 9.083 -1.060 18916 8097 1 18 . 1 1 16 16 ILE N N 16 128.262 128.262 126.602 1.660 18916 8098 1 18 . 1 1 16 16 ILE HA H 16 4.367 4.367 3.859 0.508 18916 8099 1 18 . 1 1 16 16 ILE C C 16 173.895 173.895 173.686 0.209 18916 8100 1 18 . 1 1 16 16 ILE CA C 16 59.688 59.688 59.899 -0.211 18916 8101 1 18 . 1 1 16 16 ILE CB C 16 36.912 36.912 38.460 -1.548 18916 8102 1 18 . 1 1 16 16 ILE H H 16 8.708 8.708 8.128 0.580 18916 8103 1 18 . 1 1 17 17 ASN N N 17 126.842 126.842 125.808 1.034 18916 8104 1 18 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.540 0.121 18916 8105 1 18 . 1 1 17 17 ASN C C 17 174.171 174.171 174.963 -0.792 18916 8106 1 18 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.918 0.969 18916 8107 1 18 . 1 1 17 17 ASN CB C 17 42.944 42.944 40.380 2.564 18916 8108 1 18 . 1 1 17 17 ASN H H 17 8.974 8.974 8.089 0.885 18916 8109 1 18 . 1 1 18 18 GLY N N 18 113.508 113.508 113.710 -0.202 18916 8110 1 18 . 1 1 18 18 GLY C C 18 172.529 172.529 173.763 -1.234 18916 8111 1 18 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.520 0.666 18916 8112 1 18 . 1 1 18 18 GLY H H 18 8.727 8.727 8.251 0.476 18916 8113 1 18 . 1 1 19 19 TYR N N 19 121.021 121.021 122.425 -1.404 18916 8114 1 18 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.604 -0.154 18916 8115 1 18 . 1 1 19 19 TYR C C 19 176.147 176.147 175.504 0.643 18916 8116 1 18 . 1 1 19 19 TYR CA C 19 58.982 58.982 58.349 0.633 18916 8117 1 18 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.477 0.224 18916 8118 1 18 . 1 1 19 19 TYR H H 19 8.651 8.651 8.611 0.040 18916 8119 1 18 . 1 1 20 20 THR N N 20 117.677 117.677 114.633 3.044 18916 8120 1 18 . 1 1 20 20 THR HA H 20 4.279 4.279 4.594 -0.315 18916 8121 1 18 . 1 1 20 20 THR C C 20 171.803 171.803 173.215 -1.412 18916 8122 1 18 . 1 1 20 20 THR CA C 20 59.986 59.986 59.792 0.194 18916 8123 1 18 . 1 1 20 20 THR CB C 20 73.362 73.362 71.303 2.059 18916 8124 1 18 . 1 1 20 20 THR H H 20 7.242 7.242 8.114 -0.872 18916 8125 1 18 . 1 1 21 21 LYS N N 21 120.592 120.592 123.031 -2.439 18916 8126 1 18 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.728 -0.681 18916 8127 1 18 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.267 1.763 18916 8128 1 18 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.410 2.416 18916 8129 1 18 . 1 1 21 21 LYS H H 21 7.718 7.718 8.490 -0.772 18916 8130 1 18 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.450 0.140 18916 8131 1 18 . 1 1 22 22 PRO C C 22 175.043 175.043 176.958 -1.915 18916 8132 1 18 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.325 0.624 18916 8133 1 18 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.578 1.962 18916 8134 1 18 . 1 1 23 23 GLY N N 23 105.352 105.352 106.200 -0.848 18916 8135 1 18 . 1 1 23 23 GLY C C 23 172.762 172.762 175.952 -3.190 18916 8136 1 18 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.746 0.134 18916 8137 1 18 . 1 1 23 23 GLY H H 23 8.356 8.356 8.526 -0.170 18916 8138 1 18 . 1 1 24 24 ARG N N 24 119.274 119.274 123.016 -3.742 18916 8139 1 18 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.673 -0.398 18916 8140 1 18 . 1 1 24 24 ARG C C 24 176.263 176.263 178.201 -1.938 18916 8141 1 18 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.795 1.125 18916 8142 1 18 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.500 0.831 18916 8143 1 18 . 1 1 24 24 ARG H H 24 7.813 7.813 8.685 -0.872 18916 8144 1 18 . 1 1 25 25 LEU N N 25 116.403 116.403 115.900 0.503 18916 8145 1 18 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.360 -0.670 18916 8146 1 18 . 1 1 25 25 LEU C C 25 179.562 179.562 178.861 0.701 18916 8147 1 18 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.384 1.007 18916 8148 1 18 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.850 -0.006 18916 8149 1 18 . 1 1 25 25 LEU H H 25 8.156 8.156 7.965 0.191 18916 8150 1 18 . 1 1 26 26 GLN N N 26 118.294 118.294 119.265 -0.971 18916 8151 1 18 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.264 -0.298 18916 8152 1 18 . 1 1 26 26 GLN C C 26 179.358 179.358 178.515 0.843 18916 8153 1 18 . 1 1 26 26 GLN CA C 26 59.322 59.322 57.824 1.498 18916 8154 1 18 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.362 -0.305 18916 8155 1 18 . 1 1 26 26 GLN H H 26 7.423 7.423 7.617 -0.194 18916 8156 1 18 . 1 1 27 27 LEU N N 27 119.419 119.419 120.076 -0.657 18916 8157 1 18 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.651 0.277 18916 8158 1 18 . 1 1 27 27 LEU C C 27 178.777 178.777 178.914 -0.137 18916 8159 1 18 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.309 -0.286 18916 8160 1 18 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.556 0.334 18916 8161 1 18 . 1 1 27 27 LEU H H 27 8.127 8.127 7.951 0.176 18916 8162 1 18 . 1 1 28 28 HIS N N 28 118.332 118.332 117.372 0.960 18916 8163 1 18 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.907 -0.165 18916 8164 1 18 . 1 1 28 28 HIS C C 28 177.121 177.121 177.653 -0.532 18916 8165 1 18 . 1 1 28 28 HIS CA C 28 57.798 57.798 60.199 -2.401 18916 8166 1 18 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.570 -0.129 18916 8167 1 18 . 1 1 28 28 HIS H H 28 8.727 8.727 8.099 0.628 18916 8168 1 18 . 1 1 29 29 GLU N N 29 116.699 116.699 119.563 -2.864 18916 8169 1 18 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.904 0.074 18916 8170 1 18 . 1 1 29 29 GLU C C 29 178.951 178.951 179.054 -0.103 18916 8171 1 18 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.036 0.240 18916 8172 1 18 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.481 0.203 18916 8173 1 18 . 1 1 29 29 GLU H H 29 7.518 7.518 7.744 -0.226 18916 8174 1 18 . 1 1 30 30 MET N N 30 118.090 118.090 118.253 -0.163 18916 8175 1 18 . 1 1 30 30 MET HA H 30 4.055 4.055 4.171 -0.116 18916 8176 1 18 . 1 1 30 30 MET C C 30 177.992 177.992 178.683 -0.691 18916 8177 1 18 . 1 1 30 30 MET CA C 30 60.040 60.040 57.438 2.602 18916 8178 1 18 . 1 1 30 30 MET CB C 30 34.522 34.522 31.731 2.791 18916 8179 1 18 . 1 1 30 30 MET H H 30 7.766 7.766 7.871 -0.105 18916 8180 1 18 . 1 1 31 31 ILE N N 31 118.458 118.458 119.540 -1.082 18916 8181 1 18 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.249 0.003 18916 8182 1 18 . 1 1 31 31 ILE C C 31 178.007 178.007 178.363 -0.356 18916 8183 1 18 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.328 -0.437 18916 8184 1 18 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.375 0.807 18916 8185 1 18 . 1 1 31 31 ILE H H 31 8.337 8.337 7.825 0.512 18916 8186 1 18 . 1 1 32 32 VAL N N 32 117.878 117.878 120.209 -2.331 18916 8187 1 18 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.097 -0.094 18916 8188 1 18 . 1 1 32 32 VAL C C 32 180.884 180.884 178.995 1.889 18916 8189 1 18 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.589 -0.213 18916 8190 1 18 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.053 0.944 18916 8191 1 18 . 1 1 32 32 VAL H H 32 7.888 7.888 7.950 -0.062 18916 8192 1 18 . 1 1 33 33 LEU N N 33 123.609 123.609 117.265 6.344 18916 8193 1 18 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.185 -0.112 18916 8194 1 18 . 1 1 33 33 LEU C C 33 177.498 177.498 177.906 -0.408 18916 8195 1 18 . 1 1 33 33 LEU CA C 33 57.662 57.662 55.934 1.728 18916 8196 1 18 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.070 2.220 18916 8197 1 18 . 1 1 33 33 LEU H H 33 8.281 8.281 7.852 0.429 18916 8198 1 18 . 1 1 34 34 HIS N N 34 113.272 113.272 116.678 -3.406 18916 8199 1 18 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.810 -0.095 18916 8200 1 18 . 1 1 34 34 HIS C C 34 175.464 175.464 175.674 -0.210 18916 8201 1 18 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.817 0.579 18916 8202 1 18 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.371 0.397 18916 8203 1 18 . 1 1 34 34 HIS H H 34 7.319 7.319 7.656 -0.337 18916 8204 1 18 . 1 1 35 35 GLY N N 35 104.307 104.307 106.711 -2.404 18916 8205 1 18 . 1 1 35 35 GLY C C 35 174.985 174.985 175.186 -0.201 18916 8206 1 18 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.501 1.813 18916 8207 1 18 . 1 1 35 35 GLY H H 35 7.392 7.392 7.970 -0.578 18916 8208 1 18 . 1 1 36 36 GLY N N 36 108.630 108.630 108.474 0.156 18916 8209 1 18 . 1 1 36 36 GLY C C 36 171.701 171.701 173.634 -1.933 18916 8210 1 18 . 1 1 36 36 GLY CA C 36 44.392 44.392 44.307 0.084 18916 8211 1 18 . 1 1 36 36 GLY H H 36 8.763 8.763 8.130 0.633 18916 8212 1 18 . 1 1 37 37 LYS N N 37 115.119 115.119 120.892 -5.773 18916 8213 1 18 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.913 -0.299 18916 8214 1 18 . 1 1 37 37 LYS C C 37 174.302 174.302 175.598 -1.296 18916 8215 1 18 . 1 1 37 37 LYS CA C 37 54.319 54.319 55.228 -0.909 18916 8216 1 18 . 1 1 37 37 LYS CB C 37 37.250 37.250 35.891 1.359 18916 8217 1 18 . 1 1 37 37 LYS H H 37 7.406 7.406 8.120 -0.714 18916 8218 1 18 . 1 1 38 38 PHE N N 38 117.196 117.196 117.812 -0.616 18916 8219 1 18 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.734 0.154 18916 8220 1 18 . 1 1 38 38 PHE C C 38 173.604 173.604 173.731 -0.127 18916 8221 1 18 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.840 -0.988 18916 8222 1 18 . 1 1 38 38 PHE CB C 38 43.379 43.379 42.109 1.270 18916 8223 1 18 . 1 1 38 38 PHE H H 38 7.844 7.844 8.135 -0.291 18916 8224 1 18 . 1 1 39 39 LEU N N 39 119.576 119.576 121.614 -2.038 18916 8225 1 18 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.563 0.041 18916 8226 1 18 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.876 -1.215 18916 8227 1 18 . 1 1 39 39 LEU CB C 39 45.901 45.901 45.684 0.217 18916 8228 1 18 . 1 1 39 39 LEU H H 39 8.223 8.223 8.512 -0.289 18916 8229 1 18 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.814 -0.175 18916 8230 1 18 . 1 1 40 40 HIS C C 40 174.694 174.694 174.158 0.536 18916 8231 1 18 . 1 1 40 40 HIS CA C 40 58.670 58.670 55.823 2.847 18916 8232 1 18 . 1 1 40 40 HIS CB C 40 31.890 31.890 32.179 -0.289 18916 8233 1 18 . 1 1 41 41 TYR N N 41 115.005 115.005 116.997 -1.992 18916 8234 1 18 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.732 -0.072 18916 8235 1 18 . 1 1 41 41 TYR C C 41 173.023 173.023 173.992 -0.969 18916 8236 1 18 . 1 1 41 41 TYR CA C 41 55.898 55.898 56.363 -0.465 18916 8237 1 18 . 1 1 41 41 TYR CB C 41 40.313 40.313 39.585 0.728 18916 8238 1 18 . 1 1 41 41 TYR H H 41 7.363 7.363 7.402 -0.039 18916 8239 1 18 . 1 1 42 42 LEU N N 42 121.687 121.687 124.389 -2.702 18916 8240 1 18 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.756 -0.868 18916 8241 1 18 . 1 1 42 42 LEU CA C 42 54.041 54.041 52.933 1.108 18916 8242 1 18 . 1 1 42 42 LEU CB C 42 41.096 41.096 43.129 -2.033 18916 8243 1 18 . 1 1 42 42 LEU H H 42 8.252 8.252 8.184 0.068 18916 8244 1 18 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.454 -0.220 18916 8245 1 18 . 1 1 46 46 LYS CA C 46 56.885 56.885 57.030 -0.145 18916 8246 1 18 . 1 1 46 46 LYS CB C 46 32.542 32.542 30.960 1.582 18916 8247 1 18 . 1 1 47 47 THR HA H 47 4.168 4.168 4.124 0.044 18916 8248 1 18 . 1 1 47 47 THR C C 47 174.186 174.186 174.136 0.050 18916 8249 1 18 . 1 1 47 47 THR CA C 47 62.706 62.706 63.640 -0.934 18916 8250 1 18 . 1 1 47 47 THR CB C 47 69.762 69.762 69.348 0.414 18916 8251 1 18 . 1 1 48 48 VAL N N 48 123.218 123.218 117.867 5.351 18916 8252 1 18 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.295 -0.452 18916 8253 1 18 . 1 1 48 48 VAL C C 48 174.985 174.985 173.922 1.063 18916 8254 1 18 . 1 1 48 48 VAL CA C 48 62.146 62.146 60.238 1.908 18916 8255 1 18 . 1 1 48 48 VAL CB C 48 33.167 33.167 34.947 -1.780 18916 8256 1 18 . 1 1 48 48 VAL H H 48 7.771 7.771 6.964 0.807 18916 8257 1 18 . 1 1 49 49 THR N N 49 116.982 116.982 115.971 1.011 18916 8258 1 18 . 1 1 49 49 THR HA H 49 4.319 4.319 4.522 -0.203 18916 8259 1 18 . 1 1 49 49 THR C C 49 176.118 176.118 173.469 2.649 18916 8260 1 18 . 1 1 49 49 THR CA C 49 62.831 62.831 61.398 1.433 18916 8261 1 18 . 1 1 49 49 THR CB C 49 69.114 69.114 69.915 -0.801 18916 8262 1 18 . 1 1 49 49 THR H H 49 9.798 9.798 8.009 1.789 18916 8263 1 18 . 1 1 50 50 HIS N N 50 121.799 121.799 120.186 1.613 18916 8264 1 18 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.233 -0.317 18916 8265 1 18 . 1 1 50 50 HIS C C 50 172.849 172.849 172.912 -0.063 18916 8266 1 18 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.789 1.865 18916 8267 1 18 . 1 1 50 50 HIS CB C 50 34.649 34.649 33.055 1.594 18916 8268 1 18 . 1 1 50 50 HIS H H 50 7.596 7.596 7.995 -0.399 18916 8269 1 18 . 1 1 51 51 ILE N N 51 123.013 123.013 124.307 -1.294 18916 8270 1 18 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.955 0.025 18916 8271 1 18 . 1 1 51 51 ILE C C 51 174.505 174.505 175.022 -0.517 18916 8272 1 18 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.007 -1.040 18916 8273 1 18 . 1 1 51 51 ILE CB C 51 39.153 39.153 40.711 -1.558 18916 8274 1 18 . 1 1 51 51 ILE H H 51 8.996 8.996 8.249 0.747 18916 8275 1 18 . 1 1 52 52 VAL N N 52 127.413 127.413 127.403 0.010 18916 8276 1 18 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.594 0.708 18916 8277 1 18 . 1 1 52 52 VAL C C 52 174.084 174.084 174.372 -0.288 18916 8278 1 18 . 1 1 52 52 VAL CA C 52 59.207 59.207 61.471 -2.264 18916 8279 1 18 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.615 0.644 18916 8280 1 18 . 1 1 52 52 VAL H H 52 8.821 8.821 8.590 0.231 18916 8281 1 18 . 1 1 53 53 ALA N N 53 127.601 127.601 129.165 -1.564 18916 8282 1 18 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.144 -0.522 18916 8283 1 18 . 1 1 53 53 ALA C C 53 174.680 174.680 175.988 -1.308 18916 8284 1 18 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.865 0.045 18916 8285 1 18 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.930 0.230 18916 8286 1 18 . 1 1 53 53 ALA H H 53 8.967 8.967 8.495 0.472 18916 8287 1 18 . 1 1 54 54 SER N N 54 113.005 113.005 116.939 -3.934 18916 8288 1 18 . 1 1 54 54 SER HA H 54 4.657 4.657 4.427 0.230 18916 8289 1 18 . 1 1 54 54 SER C C 54 174.229 174.229 174.196 0.033 18916 8290 1 18 . 1 1 54 54 SER CA C 54 59.671 59.671 59.679 -0.008 18916 8291 1 18 . 1 1 54 54 SER CB C 54 64.852 64.852 63.616 1.236 18916 8292 1 18 . 1 1 54 54 SER H H 54 9.303 9.303 8.824 0.479 18916 8293 1 18 . 1 1 55 55 ASN N N 55 117.475 117.475 118.345 -0.870 18916 8294 1 18 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.889 -0.288 18916 8295 1 18 . 1 1 55 55 ASN C C 55 173.052 173.052 173.089 -0.037 18916 8296 1 18 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.988 0.137 18916 8297 1 18 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.546 0.064 18916 8298 1 18 . 1 1 55 55 ASN H H 55 7.917 7.917 8.213 -0.296 18916 8299 1 18 . 1 1 56 56 LEU N N 56 122.146 122.146 125.086 -2.940 18916 8300 1 18 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.825 -0.025 18916 8301 1 18 . 1 1 56 56 LEU CA C 56 51.905 51.905 52.389 -0.484 18916 8302 1 18 . 1 1 56 56 LEU CB C 56 44.592 44.592 44.698 -0.106 18916 8303 1 18 . 1 1 56 56 LEU H H 56 8.792 8.792 8.491 0.301 18916 8304 1 18 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.751 -0.186 18916 8305 1 18 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.416 -0.226 18916 8306 1 18 . 1 1 57 57 PRO CB C 57 32.499 32.499 33.064 -0.565 18916 8307 1 18 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.917 0.003 18916 8308 1 18 . 1 1 58 58 LEU C C 58 178.806 178.806 178.890 -0.084 18916 8309 1 18 . 1 1 58 58 LEU CA C 58 59.172 59.172 59.242 -0.070 18916 8310 1 18 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.603 -0.014 18916 8311 1 18 . 1 1 59 59 LYS N N 59 115.039 115.039 119.267 -4.228 18916 8312 1 18 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.088 -0.116 18916 8313 1 18 . 1 1 59 59 LYS C C 59 179.053 179.053 178.717 0.336 18916 8314 1 18 . 1 1 59 59 LYS CA C 59 59.524 59.524 59.200 0.323 18916 8315 1 18 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.468 0.943 18916 8316 1 18 . 1 1 59 59 LYS H H 59 8.763 8.763 8.337 0.426 18916 8317 1 18 . 1 1 60 60 LYS N N 60 116.433 116.433 118.873 -2.440 18916 8318 1 18 . 1 1 60 60 LYS HA H 60 3.960 3.960 4.099 -0.139 18916 8319 1 18 . 1 1 60 60 LYS C C 60 176.874 176.874 179.328 -2.454 18916 8320 1 18 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.650 -2.929 18916 8321 1 18 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.939 -0.006 18916 8322 1 18 . 1 1 60 60 LYS H H 60 7.158 7.158 8.332 -1.174 18916 8323 1 18 . 1 1 61 61 ARG N N 61 120.369 120.369 118.970 1.399 18916 8324 1 18 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.233 -0.409 18916 8325 1 18 . 1 1 61 61 ARG C C 61 179.213 179.213 178.225 0.988 18916 8326 1 18 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.330 0.484 18916 8327 1 18 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.174 -0.304 18916 8328 1 18 . 1 1 61 61 ARG H H 61 7.902 7.902 7.953 -0.051 18916 8329 1 18 . 1 1 62 62 ILE N N 62 117.956 117.956 118.902 -0.946 18916 8330 1 18 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.771 0.037 18916 8331 1 18 . 1 1 62 62 ILE C C 62 178.966 178.966 178.869 0.097 18916 8332 1 18 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.561 -0.399 18916 8333 1 18 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.780 0.239 18916 8334 1 18 . 1 1 62 62 ILE H H 62 7.727 7.727 7.843 -0.116 18916 8335 1 18 . 1 1 63 63 GLU N N 63 121.877 121.877 121.264 0.613 18916 8336 1 18 . 1 1 63 63 GLU HA H 63 3.950 3.950 3.958 -0.008 18916 8337 1 18 . 1 1 63 63 GLU C C 63 178.792 178.792 178.144 0.648 18916 8338 1 18 . 1 1 63 63 GLU CA C 63 59.302 59.302 59.120 0.182 18916 8339 1 18 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.510 0.312 18916 8340 1 18 . 1 1 63 63 GLU H H 63 7.713 7.713 7.839 -0.126 18916 8341 1 18 . 1 1 64 64 PHE N N 64 115.684 115.684 115.901 -0.217 18916 8342 1 18 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.767 0.311 18916 8343 1 18 . 1 1 64 64 PHE C C 64 175.886 175.886 175.604 0.282 18916 8344 1 18 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.415 -1.556 18916 8345 1 18 . 1 1 64 64 PHE CB C 64 37.431 37.431 38.036 -0.605 18916 8346 1 18 . 1 1 64 64 PHE H H 64 8.077 8.077 7.998 0.079 18916 8347 1 18 . 1 1 65 65 ALA N N 65 122.616 122.616 123.492 -0.876 18916 8348 1 18 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.276 -0.112 18916 8349 1 18 . 1 1 65 65 ALA C C 65 178.356 178.356 177.976 0.380 18916 8350 1 18 . 1 1 65 65 ALA CA C 65 55.421 55.421 53.960 1.461 18916 8351 1 18 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.615 0.628 18916 8352 1 18 . 1 1 65 65 ALA H H 65 7.290 7.290 7.179 0.111 18916 8353 1 18 . 1 1 66 66 ASN N N 66 112.567 112.567 114.767 -2.200 18916 8354 1 18 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.489 0.116 18916 8355 1 18 . 1 1 66 66 ASN C C 66 174.374 174.374 175.083 -0.709 18916 8356 1 18 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.421 -1.067 18916 8357 1 18 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.583 -0.664 18916 8358 1 18 . 1 1 66 66 ASN H H 66 8.602 8.602 8.474 0.128 18916 8359 1 18 . 1 1 67 67 TYR N N 67 118.682 118.682 118.903 -0.221 18916 8360 1 18 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.520 0.008 18916 8361 1 18 . 1 1 67 67 TYR C C 67 175.072 175.072 175.033 0.039 18916 8362 1 18 . 1 1 67 67 TYR CA C 67 56.641 56.641 56.206 0.435 18916 8363 1 18 . 1 1 67 67 TYR CB C 67 40.822 40.822 39.817 1.005 18916 8364 1 18 . 1 1 67 67 TYR H H 67 7.873 7.873 7.337 0.536 18916 8365 1 18 . 1 1 68 68 LYS N N 68 121.419 121.419 124.160 -2.741 18916 8366 1 18 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.467 -0.667 18916 8367 1 18 . 1 1 68 68 LYS C C 68 174.491 174.491 176.191 -1.700 18916 8368 1 18 . 1 1 68 68 LYS CA C 68 56.246 56.246 55.331 0.915 18916 8369 1 18 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.905 1.758 18916 8370 1 18 . 1 1 68 68 LYS H H 68 7.771 7.771 8.396 -0.625 18916 8371 1 18 . 1 1 69 69 VAL N N 69 126.113 126.113 122.940 3.173 18916 8372 1 18 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.852 0.330 18916 8373 1 18 . 1 1 69 69 VAL C C 69 176.365 176.365 175.262 1.103 18916 8374 1 18 . 1 1 69 69 VAL CA C 69 60.879 60.879 61.980 -1.101 18916 8375 1 18 . 1 1 69 69 VAL CB C 69 32.355 32.355 31.940 0.415 18916 8376 1 18 . 1 1 69 69 VAL H H 69 8.384 8.384 7.903 0.481 18916 8377 1 18 . 1 1 70 70 VAL N N 70 120.358 120.358 118.897 1.461 18916 8378 1 18 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.246 0.131 18916 8379 1 18 . 1 1 70 70 VAL C C 70 174.040 174.040 175.287 -1.247 18916 8380 1 18 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.582 -0.733 18916 8381 1 18 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.773 0.980 18916 8382 1 18 . 1 1 70 70 VAL H H 70 9.390 9.390 8.944 0.446 18916 8383 1 18 . 1 1 71 71 SER N N 71 114.634 114.634 116.384 -1.750 18916 8384 1 18 . 1 1 71 71 SER HA H 71 5.630 5.630 5.443 0.187 18916 8385 1 18 . 1 1 71 71 SER CA C 71 60.584 60.584 55.996 4.588 18916 8386 1 18 . 1 1 71 71 SER CB C 71 60.367 60.367 62.822 -2.454 18916 8387 1 18 . 1 1 71 71 SER H H 71 8.354 8.354 8.181 0.173 18916 8388 1 18 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.249 -0.113 18916 8389 1 18 . 1 1 72 72 PRO C C 72 177.193 177.193 177.720 -0.527 18916 8390 1 18 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.418 -0.356 18916 8391 1 18 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.791 0.548 18916 8392 1 18 . 1 1 73 73 ASP N N 73 115.868 115.868 117.760 -1.892 18916 8393 1 18 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.327 -0.125 18916 8394 1 18 . 1 1 73 73 ASP C C 73 175.450 175.450 177.712 -2.262 18916 8395 1 18 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.240 -1.814 18916 8396 1 18 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.881 -0.526 18916 8397 1 18 . 1 1 73 73 ASP H H 73 8.427 8.427 8.603 -0.176 18916 8398 1 18 . 1 1 74 74 TRP N N 74 121.252 121.252 121.495 -0.243 18916 8399 1 18 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.251 -0.633 18916 8400 1 18 . 1 1 74 74 TRP C C 74 178.472 178.472 177.274 1.198 18916 8401 1 18 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.283 -0.268 18916 8402 1 18 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.152 -0.422 18916 8403 1 18 . 1 1 74 74 TRP H H 74 7.833 7.833 7.462 0.371 18916 8404 1 18 . 1 1 75 75 ILE N N 75 116.185 116.185 119.299 -3.114 18916 8405 1 18 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.703 -0.459 18916 8406 1 18 . 1 1 75 75 ILE C C 75 176.728 176.728 178.109 -1.381 18916 8407 1 18 . 1 1 75 75 ILE CA C 75 62.895 62.895 63.955 -1.060 18916 8408 1 18 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.501 -0.280 18916 8409 1 18 . 1 1 75 75 ILE H H 75 6.969 6.969 7.427 -0.458 18916 8410 1 18 . 1 1 76 76 VAL N N 76 117.042 117.042 119.699 -2.657 18916 8411 1 18 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.409 -0.213 18916 8412 1 18 . 1 1 76 76 VAL C C 76 178.675 178.675 177.872 0.803 18916 8413 1 18 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.421 -0.476 18916 8414 1 18 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.237 1.408 18916 8415 1 18 . 1 1 76 76 VAL H H 76 7.056 7.056 7.896 -0.840 18916 8416 1 18 . 1 1 77 77 ASP N N 77 120.009 120.009 118.034 1.975 18916 8417 1 18 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.362 -0.058 18916 8418 1 18 . 1 1 77 77 ASP C C 77 178.515 178.515 178.163 0.352 18916 8419 1 18 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.216 -0.218 18916 8420 1 18 . 1 1 77 77 ASP CB C 77 38.850 38.850 41.044 -2.194 18916 8421 1 18 . 1 1 77 77 ASP H H 77 9.171 9.171 7.791 1.380 18916 8422 1 18 . 1 1 78 78 SER N N 78 117.973 117.973 115.839 2.134 18916 8423 1 18 . 1 1 78 78 SER HA H 78 4.391 4.391 4.170 0.221 18916 8424 1 18 . 1 1 78 78 SER C C 78 175.290 175.290 176.663 -1.373 18916 8425 1 18 . 1 1 78 78 SER CA C 78 62.948 62.948 61.416 1.532 18916 8426 1 18 . 1 1 78 78 SER CB C 78 63.080 63.080 63.097 -0.017 18916 8427 1 18 . 1 1 78 78 SER H H 78 7.056 7.056 7.606 -0.550 18916 8428 1 18 . 1 1 79 79 VAL N N 79 119.889 119.889 122.254 -2.365 18916 8429 1 18 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.716 -0.808 18916 8430 1 18 . 1 1 79 79 VAL C C 79 179.169 179.169 178.117 1.052 18916 8431 1 18 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.700 1.164 18916 8432 1 18 . 1 1 79 79 VAL CB C 79 30.830 30.830 30.995 -0.165 18916 8433 1 18 . 1 1 79 79 VAL H H 79 7.596 7.596 7.813 -0.217 18916 8434 1 18 . 1 1 80 80 LYS N N 80 121.062 121.062 118.602 2.460 18916 8435 1 18 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.077 -0.187 18916 8436 1 18 . 1 1 80 80 LYS C C 80 178.806 178.806 178.320 0.486 18916 8437 1 18 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.533 1.246 18916 8438 1 18 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.583 -0.252 18916 8439 1 18 . 1 1 80 80 LYS H H 80 7.946 7.946 7.464 0.482 18916 8440 1 18 . 1 1 81 81 GLU N N 81 115.870 115.870 117.085 -1.215 18916 8441 1 18 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.380 -0.252 18916 8442 1 18 . 1 1 81 81 GLU C C 81 174.912 174.912 176.832 -1.920 18916 8443 1 18 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.921 0.549 18916 8444 1 18 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.960 -0.347 18916 8445 1 18 . 1 1 81 81 GLU H H 81 8.063 8.063 7.863 0.200 18916 8446 1 18 . 1 1 82 82 ALA N N 82 122.380 122.380 120.652 1.728 18916 8447 1 18 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.923 -0.215 18916 8448 1 18 . 1 1 82 82 ALA C C 82 175.711 175.711 176.165 -0.454 18916 8449 1 18 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.401 -0.940 18916 8450 1 18 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.535 -0.954 18916 8451 1 18 . 1 1 82 82 ALA H H 82 7.931 7.931 7.928 0.003 18916 8452 1 18 . 1 1 83 83 ARG N N 83 115.619 115.619 115.295 0.324 18916 8453 1 18 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.632 -0.442 18916 8454 1 18 . 1 1 83 83 ARG C C 83 172.050 172.050 173.565 -1.515 18916 8455 1 18 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.902 1.260 18916 8456 1 18 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.547 -0.192 18916 8457 1 18 . 1 1 83 83 ARG H H 83 8.165 8.165 7.599 0.566 18916 8458 1 18 . 1 1 84 84 LEU N N 84 120.648 120.648 123.233 -2.585 18916 8459 1 18 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.360 -0.644 18916 8460 1 18 . 1 1 84 84 LEU C C 84 176.917 176.917 175.339 1.578 18916 8461 1 18 . 1 1 84 84 LEU CA C 84 54.985 54.985 54.371 0.614 18916 8462 1 18 . 1 1 84 84 LEU CB C 84 41.311 41.311 41.995 -0.684 18916 8463 1 18 . 1 1 84 84 LEU H H 84 8.325 8.325 8.406 -0.081 18916 8464 1 18 . 1 1 85 85 LEU N N 85 132.955 132.955 129.827 3.128 18916 8465 1 18 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.950 -0.353 18916 8466 1 18 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.245 2.403 18916 8467 1 18 . 1 1 85 85 LEU CB C 85 40.363 40.363 42.497 -2.134 18916 8468 1 18 . 1 1 85 85 LEU H H 85 7.946 7.946 8.392 -0.446 18916 8469 1 18 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.241 0.344 18916 8470 1 18 . 1 1 86 86 PRO C C 86 178.835 178.835 177.820 1.015 18916 8471 1 18 . 1 1 86 86 PRO CA C 86 63.775 63.775 62.973 0.802 18916 8472 1 18 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.535 0.014 18916 8473 1 18 . 1 1 87 87 TRP N N 87 128.323 128.323 125.377 2.946 18916 8474 1 18 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.895 -0.260 18916 8475 1 18 . 1 1 87 87 TRP C C 87 177.963 177.963 177.380 0.583 18916 8476 1 18 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.086 0.467 18916 8477 1 18 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.600 -0.639 18916 8478 1 18 . 1 1 87 87 TRP H H 87 8.369 8.369 8.007 0.362 18916 8479 1 18 . 1 1 88 88 GLN N N 88 120.928 120.928 119.368 1.560 18916 8480 1 18 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.833 -0.928 18916 8481 1 18 . 1 1 88 88 GLN C C 88 178.196 178.196 177.021 1.175 18916 8482 1 18 . 1 1 88 88 GLN CA C 88 59.922 59.922 58.162 1.760 18916 8483 1 18 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.600 -1.140 18916 8484 1 18 . 1 1 88 88 GLN H H 88 8.354 8.354 7.995 0.359 18916 8485 1 18 . 1 1 89 89 ASN N N 89 116.452 116.452 117.152 -0.700 18916 8486 1 18 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.421 -0.122 18916 8487 1 18 . 1 1 89 89 ASN C C 89 174.752 174.752 175.658 -0.906 18916 8488 1 18 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.611 -0.480 18916 8489 1 18 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.535 -1.174 18916 8490 1 18 . 1 1 89 89 ASN H H 89 7.304 7.304 7.660 -0.356 18916 8491 1 18 . 1 1 90 90 TYR N N 90 118.336 118.336 114.835 3.501 18916 8492 1 18 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.596 0.018 18916 8493 1 18 . 1 1 90 90 TYR C C 90 174.534 174.534 174.966 -0.432 18916 8494 1 18 . 1 1 90 90 TYR CA C 90 57.534 57.534 57.080 0.454 18916 8495 1 18 . 1 1 90 90 TYR CB C 90 40.153 40.153 39.400 0.753 18916 8496 1 18 . 1 1 90 90 TYR H H 90 8.048 8.048 7.636 0.412 18916 8497 1 18 . 1 1 91 91 SER N N 91 114.053 114.053 117.788 -3.735 18916 8498 1 18 . 1 1 91 91 SER HA H 91 5.015 5.015 4.639 0.376 18916 8499 1 18 . 1 1 91 91 SER C C 91 176.205 176.205 175.087 1.118 18916 8500 1 18 . 1 1 91 91 SER CA C 91 58.037 58.037 58.020 0.017 18916 8501 1 18 . 1 1 91 91 SER CB C 91 64.342 64.342 62.416 1.926 18916 8502 1 18 . 1 1 91 91 SER H H 91 7.012 7.012 7.738 -0.726 18916 8503 1 18 . 1 1 92 92 LEU N N 92 126.106 126.106 126.153 -0.047 18916 8504 1 18 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.263 0.342 18916 8505 1 18 . 1 1 92 92 LEU C C 92 177.687 177.687 178.601 -0.914 18916 8506 1 18 . 1 1 92 92 LEU CA C 92 55.405 55.405 56.549 -1.144 18916 8507 1 18 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.026 1.861 18916 8508 1 18 . 1 1 92 92 LEU H H 92 8.777 8.777 8.286 0.491 18916 8509 1 18 . 1 1 93 93 THR N N 93 112.458 112.458 112.162 0.296 18916 8510 1 18 . 1 1 93 93 THR HA H 93 4.489 4.489 4.015 0.474 18916 8511 1 18 . 1 1 93 93 THR C C 93 173.851 173.851 175.658 -1.807 18916 8512 1 18 . 1 1 93 93 THR CA C 93 61.318 61.318 65.600 -4.282 18916 8513 1 18 . 1 1 93 93 THR CB C 93 69.853 69.853 68.769 1.084 18916 8514 1 18 . 1 1 93 93 THR H H 93 8.252 8.252 7.794 0.458 18916 8515 1 19 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.537 -0.755 18916 8516 1 19 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.163 1.715 18916 8517 1 19 . 1 1 4 4 GLN CB C 4 29.441 29.441 29.007 0.434 18916 8518 1 19 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.379 0.175 18916 8519 1 19 . 1 1 7 7 LYS C C 7 178.298 178.298 177.582 0.716 18916 8520 1 19 . 1 1 7 7 LYS CA C 7 54.750 54.750 56.695 -1.945 18916 8521 1 19 . 1 1 7 7 LYS CB C 7 32.593 32.593 31.151 1.442 18916 8522 1 19 . 1 1 8 8 ILE N N 8 119.676 119.676 121.651 -1.975 18916 8523 1 19 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.553 0.031 18916 8524 1 19 . 1 1 8 8 ILE C C 8 177.164 177.164 176.430 0.734 18916 8525 1 19 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.311 1.601 18916 8526 1 19 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.611 1.363 18916 8527 1 19 . 1 1 8 8 ILE H H 8 7.633 7.633 7.639 -0.006 18916 8528 1 19 . 1 1 9 9 PHE N N 9 113.639 113.639 112.541 1.098 18916 8529 1 19 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.785 0.127 18916 8530 1 19 . 1 1 9 9 PHE C C 9 174.520 174.520 176.043 -1.523 18916 8531 1 19 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.791 0.248 18916 8532 1 19 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.051 -0.337 18916 8533 1 19 . 1 1 9 9 PHE H H 9 8.403 8.403 8.069 0.334 18916 8534 1 19 . 1 1 10 10 LYS N N 10 120.104 120.104 122.413 -2.309 18916 8535 1 19 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.183 -0.040 18916 8536 1 19 . 1 1 10 10 LYS C C 10 177.600 177.600 178.397 -0.797 18916 8537 1 19 . 1 1 10 10 LYS CA C 10 58.508 58.508 59.049 -0.541 18916 8538 1 19 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.147 0.293 18916 8539 1 19 . 1 1 10 10 LYS H H 10 7.328 7.328 7.345 -0.017 18916 8540 1 19 . 1 1 11 11 ASN N N 11 116.960 116.960 115.999 0.961 18916 8541 1 19 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.708 -0.163 18916 8542 1 19 . 1 1 11 11 ASN C C 11 175.566 175.566 175.034 0.532 18916 8543 1 19 . 1 1 11 11 ASN CA C 11 55.479 55.479 53.728 1.751 18916 8544 1 19 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.606 -1.078 18916 8545 1 19 . 1 1 11 11 ASN H H 11 8.984 8.984 8.837 0.147 18916 8546 1 19 . 1 1 12 12 CYS N N 12 118.344 118.344 120.291 -1.947 18916 8547 1 19 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.566 0.560 18916 8548 1 19 . 1 1 12 12 CYS C C 12 175.014 175.014 173.786 1.228 18916 8549 1 19 . 1 1 12 12 CYS CA C 12 59.549 59.549 59.522 0.027 18916 8550 1 19 . 1 1 12 12 CYS CB C 12 29.319 29.319 28.193 1.126 18916 8551 1 19 . 1 1 12 12 CYS H H 12 8.460 8.460 7.988 0.472 18916 8552 1 19 . 1 1 13 13 VAL N N 13 128.765 128.765 126.556 2.209 18916 8553 1 19 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.174 0.215 18916 8554 1 19 . 1 1 13 13 VAL C C 13 174.912 174.912 174.862 0.050 18916 8555 1 19 . 1 1 13 13 VAL CA C 13 62.294 62.294 62.221 0.073 18916 8556 1 19 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.473 0.995 18916 8557 1 19 . 1 1 13 13 VAL H H 13 9.878 9.878 8.838 1.040 18916 8558 1 19 . 1 1 14 14 ILE N N 14 128.270 128.270 127.426 0.844 18916 8559 1 19 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.230 -0.030 18916 8560 1 19 . 1 1 14 14 ILE C C 14 174.098 174.098 175.730 -1.632 18916 8561 1 19 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.639 0.665 18916 8562 1 19 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.299 1.245 18916 8563 1 19 . 1 1 14 14 ILE H H 14 8.841 8.841 8.295 0.546 18916 8564 1 19 . 1 1 15 15 TYR N N 15 125.475 125.475 129.314 -3.839 18916 8565 1 19 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.701 -0.592 18916 8566 1 19 . 1 1 15 15 TYR C C 15 173.023 173.023 173.836 -0.813 18916 8567 1 19 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.527 0.359 18916 8568 1 19 . 1 1 15 15 TYR CB C 15 42.813 42.813 42.334 0.479 18916 8569 1 19 . 1 1 15 15 TYR H H 15 8.023 8.023 9.122 -1.099 18916 8570 1 19 . 1 1 16 16 ILE N N 16 128.262 128.262 124.422 3.840 18916 8571 1 19 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.424 -0.057 18916 8572 1 19 . 1 1 16 16 ILE C C 16 173.895 173.895 173.804 0.091 18916 8573 1 19 . 1 1 16 16 ILE CA C 16 59.688 59.688 59.468 0.221 18916 8574 1 19 . 1 1 16 16 ILE CB C 16 36.912 36.912 40.369 -3.457 18916 8575 1 19 . 1 1 16 16 ILE H H 16 8.708 8.708 7.978 0.730 18916 8576 1 19 . 1 1 17 17 ASN N N 17 126.842 126.842 123.975 2.867 18916 8577 1 19 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.687 -0.026 18916 8578 1 19 . 1 1 17 17 ASN C C 17 174.171 174.171 174.804 -0.633 18916 8579 1 19 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.609 1.278 18916 8580 1 19 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.314 1.630 18916 8581 1 19 . 1 1 17 17 ASN H H 17 8.974 8.974 8.479 0.495 18916 8582 1 19 . 1 1 18 18 GLY N N 18 113.508 113.508 113.538 -0.030 18916 8583 1 19 . 1 1 18 18 GLY C C 18 172.529 172.529 173.292 -0.763 18916 8584 1 19 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.878 0.307 18916 8585 1 19 . 1 1 18 18 GLY H H 18 8.727 8.727 8.178 0.549 18916 8586 1 19 . 1 1 19 19 TYR N N 19 121.021 121.021 122.744 -1.723 18916 8587 1 19 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.670 -0.220 18916 8588 1 19 . 1 1 19 19 TYR C C 19 176.147 176.147 175.134 1.013 18916 8589 1 19 . 1 1 19 19 TYR CA C 19 58.982 58.982 57.687 1.295 18916 8590 1 19 . 1 1 19 19 TYR CB C 19 38.701 38.701 39.122 -0.421 18916 8591 1 19 . 1 1 19 19 TYR H H 19 8.651 8.651 8.356 0.295 18916 8592 1 19 . 1 1 20 20 THR N N 20 117.677 117.677 117.079 0.598 18916 8593 1 19 . 1 1 20 20 THR HA H 20 4.279 4.279 4.625 -0.346 18916 8594 1 19 . 1 1 20 20 THR C C 20 171.803 171.803 173.871 -2.068 18916 8595 1 19 . 1 1 20 20 THR CA C 20 59.986 59.986 60.720 -0.734 18916 8596 1 19 . 1 1 20 20 THR CB C 20 73.362 73.362 70.543 2.819 18916 8597 1 19 . 1 1 20 20 THR H H 20 7.242 7.242 8.291 -1.049 18916 8598 1 19 . 1 1 21 21 LYS N N 21 120.592 120.592 123.794 -3.202 18916 8599 1 19 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.737 -0.690 18916 8600 1 19 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.919 1.111 18916 8601 1 19 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.316 2.510 18916 8602 1 19 . 1 1 21 21 LYS H H 21 7.718 7.718 8.702 -0.984 18916 8603 1 19 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.497 0.093 18916 8604 1 19 . 1 1 22 22 PRO C C 22 175.043 175.043 176.987 -1.944 18916 8605 1 19 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.364 0.584 18916 8606 1 19 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.739 1.801 18916 8607 1 19 . 1 1 23 23 GLY N N 23 105.352 105.352 107.122 -1.770 18916 8608 1 19 . 1 1 23 23 GLY C C 23 172.762 172.762 175.817 -3.055 18916 8609 1 19 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.500 0.380 18916 8610 1 19 . 1 1 23 23 GLY H H 23 8.356 8.356 8.511 -0.155 18916 8611 1 19 . 1 1 24 24 ARG N N 24 119.274 119.274 121.660 -2.386 18916 8612 1 19 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.624 -0.349 18916 8613 1 19 . 1 1 24 24 ARG C C 24 176.263 176.263 178.182 -1.919 18916 8614 1 19 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.781 1.139 18916 8615 1 19 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.463 0.868 18916 8616 1 19 . 1 1 24 24 ARG H H 24 7.813 7.813 8.653 -0.840 18916 8617 1 19 . 1 1 25 25 LEU N N 25 116.403 116.403 115.590 0.813 18916 8618 1 19 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.150 -0.460 18916 8619 1 19 . 1 1 25 25 LEU C C 25 179.562 179.562 178.694 0.868 18916 8620 1 19 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.457 0.934 18916 8621 1 19 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.755 0.089 18916 8622 1 19 . 1 1 25 25 LEU H H 25 8.156 8.156 7.923 0.233 18916 8623 1 19 . 1 1 26 26 GLN N N 26 118.294 118.294 119.138 -0.844 18916 8624 1 19 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.258 -0.292 18916 8625 1 19 . 1 1 26 26 GLN C C 26 179.358 179.358 178.554 0.804 18916 8626 1 19 . 1 1 26 26 GLN CA C 26 59.322 59.322 57.930 1.392 18916 8627 1 19 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.331 -0.274 18916 8628 1 19 . 1 1 26 26 GLN H H 26 7.423 7.423 7.518 -0.095 18916 8629 1 19 . 1 1 27 27 LEU N N 27 119.419 119.419 119.731 -0.312 18916 8630 1 19 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.784 0.144 18916 8631 1 19 . 1 1 27 27 LEU C C 27 178.777 178.777 179.067 -0.290 18916 8632 1 19 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.088 -0.064 18916 8633 1 19 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.447 0.443 18916 8634 1 19 . 1 1 27 27 LEU H H 27 8.127 8.127 7.846 0.281 18916 8635 1 19 . 1 1 28 28 HIS N N 28 118.332 118.332 116.964 1.368 18916 8636 1 19 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.907 -0.165 18916 8637 1 19 . 1 1 28 28 HIS C C 28 177.121 177.121 177.655 -0.534 18916 8638 1 19 . 1 1 28 28 HIS CA C 28 57.798 57.798 58.855 -1.057 18916 8639 1 19 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.518 -0.077 18916 8640 1 19 . 1 1 28 28 HIS H H 28 8.727 8.727 7.730 0.997 18916 8641 1 19 . 1 1 29 29 GLU N N 29 116.699 116.699 119.954 -3.255 18916 8642 1 19 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.857 0.121 18916 8643 1 19 . 1 1 29 29 GLU C C 29 178.951 178.951 178.781 0.170 18916 8644 1 19 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.226 0.050 18916 8645 1 19 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.521 0.163 18916 8646 1 19 . 1 1 29 29 GLU H H 29 7.518 7.518 8.036 -0.518 18916 8647 1 19 . 1 1 30 30 MET N N 30 118.090 118.090 118.600 -0.510 18916 8648 1 19 . 1 1 30 30 MET HA H 30 4.055 4.055 4.060 -0.005 18916 8649 1 19 . 1 1 30 30 MET C C 30 177.992 177.992 178.612 -0.620 18916 8650 1 19 . 1 1 30 30 MET CA C 30 60.040 60.040 59.468 0.572 18916 8651 1 19 . 1 1 30 30 MET CB C 30 34.522 34.522 32.362 2.160 18916 8652 1 19 . 1 1 30 30 MET H H 30 7.766 7.766 7.865 -0.099 18916 8653 1 19 . 1 1 31 31 ILE N N 31 118.458 118.458 119.647 -1.189 18916 8654 1 19 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.184 0.068 18916 8655 1 19 . 1 1 31 31 ILE C C 31 178.007 178.007 178.343 -0.336 18916 8656 1 19 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.233 -0.342 18916 8657 1 19 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.285 0.897 18916 8658 1 19 . 1 1 31 31 ILE H H 31 8.337 8.337 7.718 0.619 18916 8659 1 19 . 1 1 32 32 VAL N N 32 117.878 117.878 120.098 -2.220 18916 8660 1 19 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.200 -0.197 18916 8661 1 19 . 1 1 32 32 VAL C C 32 180.884 180.884 179.110 1.774 18916 8662 1 19 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.193 0.183 18916 8663 1 19 . 1 1 32 32 VAL CB C 32 31.997 31.997 30.896 1.101 18916 8664 1 19 . 1 1 32 32 VAL H H 32 7.888 7.888 7.714 0.174 18916 8665 1 19 . 1 1 33 33 LEU N N 33 123.609 123.609 118.882 4.727 18916 8666 1 19 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.069 0.004 18916 8667 1 19 . 1 1 33 33 LEU C C 33 177.498 177.498 177.115 0.383 18916 8668 1 19 . 1 1 33 33 LEU CA C 33 57.662 57.662 56.843 0.819 18916 8669 1 19 . 1 1 33 33 LEU CB C 33 42.290 42.290 41.219 1.071 18916 8670 1 19 . 1 1 33 33 LEU H H 33 8.281 8.281 8.187 0.094 18916 8671 1 19 . 1 1 34 34 HIS N N 34 113.272 113.272 114.978 -1.706 18916 8672 1 19 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.705 0.010 18916 8673 1 19 . 1 1 34 34 HIS C C 34 175.464 175.464 175.320 0.144 18916 8674 1 19 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.197 1.199 18916 8675 1 19 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.007 0.761 18916 8676 1 19 . 1 1 34 34 HIS H H 34 7.319 7.319 7.594 -0.275 18916 8677 1 19 . 1 1 35 35 GLY N N 35 104.307 104.307 106.462 -2.155 18916 8678 1 19 . 1 1 35 35 GLY C C 35 174.985 174.985 174.917 0.068 18916 8679 1 19 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.479 1.835 18916 8680 1 19 . 1 1 35 35 GLY H H 35 7.392 7.392 7.840 -0.448 18916 8681 1 19 . 1 1 36 36 GLY N N 36 108.630 108.630 107.540 1.090 18916 8682 1 19 . 1 1 36 36 GLY C C 36 171.701 171.701 173.324 -1.623 18916 8683 1 19 . 1 1 36 36 GLY CA C 36 44.392 44.392 43.931 0.461 18916 8684 1 19 . 1 1 36 36 GLY H H 36 8.763 8.763 8.031 0.732 18916 8685 1 19 . 1 1 37 37 LYS N N 37 115.119 115.119 119.833 -4.714 18916 8686 1 19 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.956 -0.342 18916 8687 1 19 . 1 1 37 37 LYS C C 37 174.302 174.302 175.440 -1.138 18916 8688 1 19 . 1 1 37 37 LYS CA C 37 54.319 54.319 54.756 -0.437 18916 8689 1 19 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.787 0.463 18916 8690 1 19 . 1 1 37 37 LYS H H 37 7.406 7.406 8.083 -0.677 18916 8691 1 19 . 1 1 38 38 PHE N N 38 117.196 117.196 116.529 0.667 18916 8692 1 19 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.190 0.698 18916 8693 1 19 . 1 1 38 38 PHE C C 38 173.604 173.604 173.292 0.312 18916 8694 1 19 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.799 -0.947 18916 8695 1 19 . 1 1 38 38 PHE CB C 38 43.379 43.379 41.832 1.547 18916 8696 1 19 . 1 1 38 38 PHE H H 38 7.844 7.844 8.057 -0.213 18916 8697 1 19 . 1 1 39 39 LEU N N 39 119.576 119.576 122.205 -2.629 18916 8698 1 19 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.792 -0.188 18916 8699 1 19 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.391 -0.730 18916 8700 1 19 . 1 1 39 39 LEU CB C 39 45.901 45.901 46.161 -0.260 18916 8701 1 19 . 1 1 39 39 LEU H H 39 8.223 8.223 8.518 -0.295 18916 8702 1 19 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.566 0.073 18916 8703 1 19 . 1 1 40 40 HIS C C 40 174.694 174.694 174.245 0.449 18916 8704 1 19 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.006 1.664 18916 8705 1 19 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.584 1.306 18916 8706 1 19 . 1 1 41 41 TYR N N 41 115.005 115.005 115.870 -0.865 18916 8707 1 19 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.411 0.249 18916 8708 1 19 . 1 1 41 41 TYR C C 41 173.023 173.023 173.958 -0.935 18916 8709 1 19 . 1 1 41 41 TYR CA C 41 55.898 55.898 56.266 -0.368 18916 8710 1 19 . 1 1 41 41 TYR CB C 41 40.313 40.313 41.362 -1.049 18916 8711 1 19 . 1 1 41 41 TYR H H 41 7.363 7.363 7.595 -0.232 18916 8712 1 19 . 1 1 42 42 LEU N N 42 121.687 121.687 124.714 -3.027 18916 8713 1 19 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.345 -0.457 18916 8714 1 19 . 1 1 42 42 LEU CA C 42 54.041 54.041 54.501 -0.460 18916 8715 1 19 . 1 1 42 42 LEU CB C 42 41.096 41.096 40.416 0.680 18916 8716 1 19 . 1 1 42 42 LEU H H 42 8.252 8.252 8.354 -0.102 18916 8717 1 19 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.641 -0.407 18916 8718 1 19 . 1 1 46 46 LYS CA C 46 56.885 56.885 56.498 0.387 18916 8719 1 19 . 1 1 46 46 LYS CB C 46 32.542 32.542 29.744 2.798 18916 8720 1 19 . 1 1 47 47 THR HA H 47 4.168 4.168 4.196 -0.028 18916 8721 1 19 . 1 1 47 47 THR C C 47 174.186 174.186 174.363 -0.177 18916 8722 1 19 . 1 1 47 47 THR CA C 47 62.706 62.706 63.571 -0.865 18916 8723 1 19 . 1 1 47 47 THR CB C 47 69.762 69.762 69.392 0.370 18916 8724 1 19 . 1 1 48 48 VAL N N 48 123.218 123.218 119.564 3.654 18916 8725 1 19 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.215 -0.372 18916 8726 1 19 . 1 1 48 48 VAL C C 48 174.985 174.985 175.315 -0.330 18916 8727 1 19 . 1 1 48 48 VAL CA C 48 62.146 62.146 61.715 0.431 18916 8728 1 19 . 1 1 48 48 VAL CB C 48 33.167 33.167 33.498 -0.331 18916 8729 1 19 . 1 1 48 48 VAL H H 48 7.771 7.771 7.592 0.179 18916 8730 1 19 . 1 1 49 49 THR N N 49 116.982 116.982 119.479 -2.497 18916 8731 1 19 . 1 1 49 49 THR HA H 49 4.319 4.319 4.480 -0.161 18916 8732 1 19 . 1 1 49 49 THR C C 49 176.118 176.118 173.943 2.175 18916 8733 1 19 . 1 1 49 49 THR CA C 49 62.831 62.831 61.567 1.264 18916 8734 1 19 . 1 1 49 49 THR CB C 49 69.114 69.114 69.913 -0.799 18916 8735 1 19 . 1 1 49 49 THR H H 49 9.798 9.798 8.382 1.416 18916 8736 1 19 . 1 1 50 50 HIS N N 50 121.799 121.799 120.196 1.603 18916 8737 1 19 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.178 -0.262 18916 8738 1 19 . 1 1 50 50 HIS C C 50 172.849 172.849 173.262 -0.413 18916 8739 1 19 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.950 1.704 18916 8740 1 19 . 1 1 50 50 HIS CB C 50 34.649 34.649 32.988 1.661 18916 8741 1 19 . 1 1 50 50 HIS H H 50 7.596 7.596 8.095 -0.499 18916 8742 1 19 . 1 1 51 51 ILE N N 51 123.013 123.013 124.910 -1.897 18916 8743 1 19 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.603 0.377 18916 8744 1 19 . 1 1 51 51 ILE C C 51 174.505 174.505 174.620 -0.115 18916 8745 1 19 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.500 -1.533 18916 8746 1 19 . 1 1 51 51 ILE CB C 51 39.153 39.153 40.512 -1.359 18916 8747 1 19 . 1 1 51 51 ILE H H 51 8.996 8.996 8.174 0.822 18916 8748 1 19 . 1 1 52 52 VAL N N 52 127.413 127.413 126.958 0.455 18916 8749 1 19 . 1 1 52 52 VAL HA H 52 5.302 5.302 5.057 0.245 18916 8750 1 19 . 1 1 52 52 VAL C C 52 174.084 174.084 174.047 0.037 18916 8751 1 19 . 1 1 52 52 VAL CA C 52 59.207 59.207 60.757 -1.550 18916 8752 1 19 . 1 1 52 52 VAL CB C 52 33.259 33.259 33.651 -0.392 18916 8753 1 19 . 1 1 52 52 VAL H H 52 8.821 8.821 8.546 0.275 18916 8754 1 19 . 1 1 53 53 ALA N N 53 127.601 127.601 129.374 -1.773 18916 8755 1 19 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.402 -0.780 18916 8756 1 19 . 1 1 53 53 ALA C C 53 174.680 174.680 176.165 -1.485 18916 8757 1 19 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.121 0.789 18916 8758 1 19 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.950 0.210 18916 8759 1 19 . 1 1 53 53 ALA H H 53 8.967 8.967 8.602 0.364 18916 8760 1 19 . 1 1 54 54 SER N N 54 113.005 113.005 116.747 -3.742 18916 8761 1 19 . 1 1 54 54 SER HA H 54 4.657 4.657 4.416 0.241 18916 8762 1 19 . 1 1 54 54 SER C C 54 174.229 174.229 174.239 -0.010 18916 8763 1 19 . 1 1 54 54 SER CA C 54 59.671 59.671 59.821 -0.150 18916 8764 1 19 . 1 1 54 54 SER CB C 54 64.852 64.852 63.892 0.959 18916 8765 1 19 . 1 1 54 54 SER H H 54 9.303 9.303 8.845 0.458 18916 8766 1 19 . 1 1 55 55 ASN N N 55 117.475 117.475 118.263 -0.788 18916 8767 1 19 . 1 1 55 55 ASN HA H 55 4.601 4.601 5.081 -0.480 18916 8768 1 19 . 1 1 55 55 ASN C C 55 173.052 173.052 173.490 -0.438 18916 8769 1 19 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.450 0.675 18916 8770 1 19 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.702 -0.092 18916 8771 1 19 . 1 1 55 55 ASN H H 55 7.917 7.917 8.562 -0.645 18916 8772 1 19 . 1 1 56 56 LEU N N 56 122.146 122.146 125.621 -3.475 18916 8773 1 19 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.953 -0.153 18916 8774 1 19 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.151 0.754 18916 8775 1 19 . 1 1 56 56 LEU CB C 56 44.592 44.592 44.266 0.326 18916 8776 1 19 . 1 1 56 56 LEU H H 56 8.792 8.792 8.431 0.361 18916 8777 1 19 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.530 0.035 18916 8778 1 19 . 1 1 57 57 PRO CA C 57 62.190 62.190 63.283 -1.093 18916 8779 1 19 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.355 0.144 18916 8780 1 19 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.945 -0.025 18916 8781 1 19 . 1 1 58 58 LEU C C 58 178.806 178.806 178.818 -0.012 18916 8782 1 19 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.507 0.665 18916 8783 1 19 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.743 -0.154 18916 8784 1 19 . 1 1 59 59 LYS N N 59 115.039 115.039 120.123 -5.084 18916 8785 1 19 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.083 -0.111 18916 8786 1 19 . 1 1 59 59 LYS C C 59 179.053 179.053 178.687 0.366 18916 8787 1 19 . 1 1 59 59 LYS CA C 59 59.524 59.524 59.139 0.385 18916 8788 1 19 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.725 0.686 18916 8789 1 19 . 1 1 59 59 LYS H H 59 8.763 8.763 8.336 0.427 18916 8790 1 19 . 1 1 60 60 LYS N N 60 116.433 116.433 118.327 -1.894 18916 8791 1 19 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.833 0.127 18916 8792 1 19 . 1 1 60 60 LYS C C 60 176.874 176.874 179.149 -2.275 18916 8793 1 19 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.003 -2.282 18916 8794 1 19 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.795 0.138 18916 8795 1 19 . 1 1 60 60 LYS H H 60 7.158 7.158 8.192 -1.034 18916 8796 1 19 . 1 1 61 61 ARG N N 61 120.369 120.369 120.527 -0.158 18916 8797 1 19 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.255 -0.431 18916 8798 1 19 . 1 1 61 61 ARG C C 61 179.213 179.213 178.385 0.828 18916 8799 1 19 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.275 0.539 18916 8800 1 19 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.207 -0.337 18916 8801 1 19 . 1 1 61 61 ARG H H 61 7.902 7.902 7.907 -0.005 18916 8802 1 19 . 1 1 62 62 ILE N N 62 117.956 117.956 118.211 -0.255 18916 8803 1 19 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.702 0.106 18916 8804 1 19 . 1 1 62 62 ILE C C 62 178.966 178.966 178.299 0.667 18916 8805 1 19 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.981 -0.819 18916 8806 1 19 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.983 0.037 18916 8807 1 19 . 1 1 62 62 ILE H H 62 7.727 7.727 7.791 -0.064 18916 8808 1 19 . 1 1 63 63 GLU N N 63 121.877 121.877 121.471 0.406 18916 8809 1 19 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.042 -0.092 18916 8810 1 19 . 1 1 63 63 GLU C C 63 178.792 178.792 178.318 0.474 18916 8811 1 19 . 1 1 63 63 GLU CA C 63 59.302 59.302 59.184 0.118 18916 8812 1 19 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.589 0.233 18916 8813 1 19 . 1 1 63 63 GLU H H 63 7.713 7.713 7.622 0.091 18916 8814 1 19 . 1 1 64 64 PHE N N 64 115.684 115.684 116.867 -1.183 18916 8815 1 19 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.992 0.086 18916 8816 1 19 . 1 1 64 64 PHE C C 64 175.886 175.886 174.989 0.897 18916 8817 1 19 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.455 -1.596 18916 8818 1 19 . 1 1 64 64 PHE CB C 64 37.431 37.431 37.959 -0.528 18916 8819 1 19 . 1 1 64 64 PHE H H 64 8.077 8.077 7.844 0.233 18916 8820 1 19 . 1 1 65 65 ALA N N 65 122.616 122.616 122.276 0.340 18916 8821 1 19 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.276 -0.112 18916 8822 1 19 . 1 1 65 65 ALA C C 65 178.356 178.356 178.292 0.064 18916 8823 1 19 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.084 1.337 18916 8824 1 19 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.999 0.244 18916 8825 1 19 . 1 1 65 65 ALA H H 65 7.290 7.290 7.197 0.093 18916 8826 1 19 . 1 1 66 66 ASN N N 66 112.567 112.567 114.767 -2.200 18916 8827 1 19 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.662 -0.057 18916 8828 1 19 . 1 1 66 66 ASN C C 66 174.374 174.374 174.964 -0.590 18916 8829 1 19 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.277 -0.923 18916 8830 1 19 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.876 -0.957 18916 8831 1 19 . 1 1 66 66 ASN H H 66 8.602 8.602 8.765 -0.163 18916 8832 1 19 . 1 1 67 67 TYR N N 67 118.682 118.682 118.582 0.100 18916 8833 1 19 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.365 0.163 18916 8834 1 19 . 1 1 67 67 TYR C C 67 175.072 175.072 176.296 -1.224 18916 8835 1 19 . 1 1 67 67 TYR CA C 67 56.641 56.641 58.079 -1.438 18916 8836 1 19 . 1 1 67 67 TYR CB C 67 40.822 40.822 39.156 1.666 18916 8837 1 19 . 1 1 67 67 TYR H H 67 7.873 7.873 7.411 0.462 18916 8838 1 19 . 1 1 68 68 LYS N N 68 121.419 121.419 123.932 -2.513 18916 8839 1 19 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.201 -0.401 18916 8840 1 19 . 1 1 68 68 LYS C C 68 174.491 174.491 175.788 -1.297 18916 8841 1 19 . 1 1 68 68 LYS CA C 68 56.246 56.246 55.029 1.218 18916 8842 1 19 . 1 1 68 68 LYS CB C 68 32.664 32.664 29.677 2.987 18916 8843 1 19 . 1 1 68 68 LYS H H 68 7.771 7.771 8.343 -0.572 18916 8844 1 19 . 1 1 69 69 VAL N N 69 126.113 126.113 125.409 0.704 18916 8845 1 19 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.685 0.497 18916 8846 1 19 . 1 1 69 69 VAL C C 69 176.365 176.365 175.923 0.442 18916 8847 1 19 . 1 1 69 69 VAL CA C 69 60.879 60.879 62.864 -1.985 18916 8848 1 19 . 1 1 69 69 VAL CB C 69 32.355 32.355 32.105 0.250 18916 8849 1 19 . 1 1 69 69 VAL H H 69 8.384 8.384 7.854 0.530 18916 8850 1 19 . 1 1 70 70 VAL N N 70 120.358 120.358 122.097 -1.739 18916 8851 1 19 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.201 0.176 18916 8852 1 19 . 1 1 70 70 VAL C C 70 174.040 174.040 174.973 -0.933 18916 8853 1 19 . 1 1 70 70 VAL CA C 70 57.849 57.849 59.242 -1.393 18916 8854 1 19 . 1 1 70 70 VAL CB C 70 36.753 36.753 36.000 0.753 18916 8855 1 19 . 1 1 70 70 VAL H H 70 9.390 9.390 9.142 0.248 18916 8856 1 19 . 1 1 71 71 SER N N 71 114.634 114.634 115.755 -1.121 18916 8857 1 19 . 1 1 71 71 SER HA H 71 5.630 5.630 5.585 0.045 18916 8858 1 19 . 1 1 71 71 SER CA C 71 60.584 60.584 55.593 4.991 18916 8859 1 19 . 1 1 71 71 SER CB C 71 60.367 60.367 62.688 -2.321 18916 8860 1 19 . 1 1 71 71 SER H H 71 8.354 8.354 8.149 0.205 18916 8861 1 19 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.304 -0.168 18916 8862 1 19 . 1 1 72 72 PRO C C 72 177.193 177.193 177.675 -0.482 18916 8863 1 19 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.401 -0.339 18916 8864 1 19 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.757 0.582 18916 8865 1 19 . 1 1 73 73 ASP N N 73 115.868 115.868 117.620 -1.752 18916 8866 1 19 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.294 -0.092 18916 8867 1 19 . 1 1 73 73 ASP C C 73 175.450 175.450 177.557 -2.107 18916 8868 1 19 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.511 -2.085 18916 8869 1 19 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.785 -0.430 18916 8870 1 19 . 1 1 73 73 ASP H H 73 8.427 8.427 8.530 -0.103 18916 8871 1 19 . 1 1 74 74 TRP N N 74 121.252 121.252 121.558 -0.306 18916 8872 1 19 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.337 -0.719 18916 8873 1 19 . 1 1 74 74 TRP C C 74 178.472 178.472 177.391 1.081 18916 8874 1 19 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.166 -0.151 18916 8875 1 19 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.207 -0.477 18916 8876 1 19 . 1 1 74 74 TRP H H 74 7.833 7.833 7.556 0.277 18916 8877 1 19 . 1 1 75 75 ILE N N 75 116.185 116.185 119.041 -2.856 18916 8878 1 19 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.424 -0.180 18916 8879 1 19 . 1 1 75 75 ILE C C 75 176.728 176.728 177.763 -1.035 18916 8880 1 19 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.549 -1.654 18916 8881 1 19 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.468 -0.246 18916 8882 1 19 . 1 1 75 75 ILE H H 75 6.969 6.969 7.319 -0.350 18916 8883 1 19 . 1 1 76 76 VAL N N 76 117.042 117.042 120.687 -3.645 18916 8884 1 19 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.482 -0.286 18916 8885 1 19 . 1 1 76 76 VAL C C 76 178.675 178.675 178.307 0.368 18916 8886 1 19 . 1 1 76 76 VAL CA C 76 66.945 66.945 66.707 0.238 18916 8887 1 19 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.561 1.084 18916 8888 1 19 . 1 1 76 76 VAL H H 76 7.056 7.056 8.083 -1.027 18916 8889 1 19 . 1 1 77 77 ASP N N 77 120.009 120.009 118.560 1.449 18916 8890 1 19 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.405 -0.101 18916 8891 1 19 . 1 1 77 77 ASP C C 77 178.515 178.515 178.368 0.147 18916 8892 1 19 . 1 1 77 77 ASP CA C 77 56.998 56.998 56.997 0.001 18916 8893 1 19 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.752 -1.903 18916 8894 1 19 . 1 1 77 77 ASP H H 77 9.171 9.171 7.828 1.343 18916 8895 1 19 . 1 1 78 78 SER N N 78 117.973 117.973 116.633 1.340 18916 8896 1 19 . 1 1 78 78 SER HA H 78 4.391 4.391 4.180 0.211 18916 8897 1 19 . 1 1 78 78 SER C C 78 175.290 175.290 176.203 -0.913 18916 8898 1 19 . 1 1 78 78 SER CA C 78 62.948 62.948 61.744 1.204 18916 8899 1 19 . 1 1 78 78 SER CB C 78 63.080 63.080 63.044 0.037 18916 8900 1 19 . 1 1 78 78 SER H H 78 7.056 7.056 7.656 -0.600 18916 8901 1 19 . 1 1 79 79 VAL N N 79 119.889 119.889 120.577 -0.688 18916 8902 1 19 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.498 -0.590 18916 8903 1 19 . 1 1 79 79 VAL C C 79 179.169 179.169 177.304 1.865 18916 8904 1 19 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.122 1.742 18916 8905 1 19 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.257 -0.427 18916 8906 1 19 . 1 1 79 79 VAL H H 79 7.596 7.596 7.786 -0.190 18916 8907 1 19 . 1 1 80 80 LYS N N 80 121.062 121.062 119.094 1.968 18916 8908 1 19 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.108 -0.218 18916 8909 1 19 . 1 1 80 80 LYS C C 80 178.806 178.806 178.255 0.551 18916 8910 1 19 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.717 1.062 18916 8911 1 19 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.633 -0.302 18916 8912 1 19 . 1 1 80 80 LYS H H 80 7.946 7.946 7.704 0.242 18916 8913 1 19 . 1 1 81 81 GLU N N 81 115.870 115.870 115.982 -0.112 18916 8914 1 19 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.406 -0.278 18916 8915 1 19 . 1 1 81 81 GLU C C 81 174.912 174.912 176.229 -1.317 18916 8916 1 19 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.674 0.796 18916 8917 1 19 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.952 -0.339 18916 8918 1 19 . 1 1 81 81 GLU H H 81 8.063 8.063 7.889 0.174 18916 8919 1 19 . 1 1 82 82 ALA N N 82 122.380 122.380 120.798 1.582 18916 8920 1 19 . 1 1 82 82 ALA HA H 82 3.708 3.708 4.072 -0.364 18916 8921 1 19 . 1 1 82 82 ALA C C 82 175.711 175.711 176.187 -0.476 18916 8922 1 19 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.238 -0.777 18916 8923 1 19 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.035 -0.454 18916 8924 1 19 . 1 1 82 82 ALA H H 82 7.931 7.931 7.780 0.151 18916 8925 1 19 . 1 1 83 83 ARG N N 83 115.619 115.619 115.568 0.051 18916 8926 1 19 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.574 -0.384 18916 8927 1 19 . 1 1 83 83 ARG C C 83 172.050 172.050 174.007 -1.957 18916 8928 1 19 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.877 1.286 18916 8929 1 19 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.937 -0.582 18916 8930 1 19 . 1 1 83 83 ARG H H 83 8.165 8.165 7.991 0.174 18916 8931 1 19 . 1 1 84 84 LEU N N 84 120.648 120.648 123.352 -2.704 18916 8932 1 19 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.387 -0.671 18916 8933 1 19 . 1 1 84 84 LEU C C 84 176.917 176.917 175.542 1.375 18916 8934 1 19 . 1 1 84 84 LEU CA C 84 54.985 54.985 53.943 1.042 18916 8935 1 19 . 1 1 84 84 LEU CB C 84 41.311 41.311 41.728 -0.417 18916 8936 1 19 . 1 1 84 84 LEU H H 84 8.325 8.325 8.473 -0.148 18916 8937 1 19 . 1 1 85 85 LEU N N 85 132.955 132.955 129.331 3.624 18916 8938 1 19 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.848 -0.251 18916 8939 1 19 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.948 1.700 18916 8940 1 19 . 1 1 85 85 LEU CB C 85 40.363 40.363 42.865 -2.502 18916 8941 1 19 . 1 1 85 85 LEU H H 85 7.946 7.946 8.065 -0.119 18916 8942 1 19 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.320 0.265 18916 8943 1 19 . 1 1 86 86 PRO C C 86 178.835 178.835 178.096 0.739 18916 8944 1 19 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.282 0.493 18916 8945 1 19 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.038 0.511 18916 8946 1 19 . 1 1 87 87 TRP N N 87 128.323 128.323 126.021 2.302 18916 8947 1 19 . 1 1 87 87 TRP HA H 87 3.635 3.635 4.029 -0.394 18916 8948 1 19 . 1 1 87 87 TRP C C 87 177.963 177.963 177.184 0.779 18916 8949 1 19 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.143 0.410 18916 8950 1 19 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.512 -0.551 18916 8951 1 19 . 1 1 87 87 TRP H H 87 8.369 8.369 8.327 0.042 18916 8952 1 19 . 1 1 88 88 GLN N N 88 120.928 120.928 118.472 2.456 18916 8953 1 19 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.814 -0.909 18916 8954 1 19 . 1 1 88 88 GLN C C 88 178.196 178.196 175.954 2.242 18916 8955 1 19 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.853 2.069 18916 8956 1 19 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.447 -0.987 18916 8957 1 19 . 1 1 88 88 GLN H H 88 8.354 8.354 7.686 0.668 18916 8958 1 19 . 1 1 89 89 ASN N N 89 116.452 116.452 116.323 0.129 18916 8959 1 19 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.493 -0.194 18916 8960 1 19 . 1 1 89 89 ASN C C 89 174.752 174.752 174.867 -0.115 18916 8961 1 19 . 1 1 89 89 ASN CA C 89 54.131 54.131 53.977 0.154 18916 8962 1 19 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.606 -1.245 18916 8963 1 19 . 1 1 89 89 ASN H H 89 7.304 7.304 7.498 -0.194 18916 8964 1 19 . 1 1 90 90 TYR N N 90 118.336 118.336 115.760 2.576 18916 8965 1 19 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.640 -0.026 18916 8966 1 19 . 1 1 90 90 TYR C C 90 174.534 174.534 174.967 -0.433 18916 8967 1 19 . 1 1 90 90 TYR CA C 90 57.534 57.534 56.895 0.639 18916 8968 1 19 . 1 1 90 90 TYR CB C 90 40.153 40.153 39.283 0.870 18916 8969 1 19 . 1 1 90 90 TYR H H 90 8.048 8.048 7.683 0.365 18916 8970 1 19 . 1 1 91 91 SER N N 91 114.053 114.053 118.007 -3.954 18916 8971 1 19 . 1 1 91 91 SER HA H 91 5.015 5.015 4.778 0.237 18916 8972 1 19 . 1 1 91 91 SER C C 91 176.205 176.205 175.325 0.880 18916 8973 1 19 . 1 1 91 91 SER CA C 91 58.037 58.037 58.281 -0.244 18916 8974 1 19 . 1 1 91 91 SER CB C 91 64.342 64.342 62.589 1.753 18916 8975 1 19 . 1 1 91 91 SER H H 91 7.012 7.012 7.627 -0.615 18916 8976 1 19 . 1 1 92 92 LEU N N 92 126.106 126.106 126.228 -0.122 18916 8977 1 19 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.490 0.115 18916 8978 1 19 . 1 1 92 92 LEU C C 92 177.687 177.687 177.553 0.134 18916 8979 1 19 . 1 1 92 92 LEU CA C 92 55.405 55.405 54.770 0.634 18916 8980 1 19 . 1 1 92 92 LEU CB C 92 42.887 42.887 40.725 2.162 18916 8981 1 19 . 1 1 92 92 LEU H H 92 8.777 8.777 8.250 0.527 18916 8982 1 19 . 1 1 93 93 THR N N 93 112.458 112.458 110.285 2.173 18916 8983 1 19 . 1 1 93 93 THR HA H 93 4.489 4.489 4.231 0.258 18916 8984 1 19 . 1 1 93 93 THR C C 93 173.851 173.851 175.195 -1.344 18916 8985 1 19 . 1 1 93 93 THR CA C 93 61.318 61.318 63.543 -2.225 18916 8986 1 19 . 1 1 93 93 THR CB C 93 69.853 69.853 69.171 0.682 18916 8987 1 19 . 1 1 93 93 THR H H 93 8.252 8.252 7.673 0.579 18916 8988 1 20 . 1 1 4 4 GLN HA H 4 3.782 3.782 4.387 -0.605 18916 8989 1 20 . 1 1 4 4 GLN CA C 4 56.878 56.878 56.902 -0.024 18916 8990 1 20 . 1 1 4 4 GLN CB C 4 29.441 29.441 29.168 0.273 18916 8991 1 20 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.537 0.017 18916 8992 1 20 . 1 1 7 7 LYS C C 7 178.298 178.298 177.297 1.001 18916 8993 1 20 . 1 1 7 7 LYS CA C 7 54.750 54.750 56.098 -1.348 18916 8994 1 20 . 1 1 7 7 LYS CB C 7 32.593 32.593 30.663 1.930 18916 8995 1 20 . 1 1 8 8 ILE N N 8 119.676 119.676 121.682 -2.006 18916 8996 1 20 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.519 0.065 18916 8997 1 20 . 1 1 8 8 ILE C C 8 177.164 177.164 176.571 0.593 18916 8998 1 20 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.680 1.232 18916 8999 1 20 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.685 1.289 18916 9000 1 20 . 1 1 8 8 ILE H H 8 7.633 7.633 7.829 -0.196 18916 9001 1 20 . 1 1 9 9 PHE N N 9 113.639 113.639 113.604 0.035 18916 9002 1 20 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.784 0.128 18916 9003 1 20 . 1 1 9 9 PHE C C 9 174.520 174.520 176.563 -2.043 18916 9004 1 20 . 1 1 9 9 PHE CA C 9 57.039 57.039 55.944 1.095 18916 9005 1 20 . 1 1 9 9 PHE CB C 9 37.714 37.714 37.464 0.250 18916 9006 1 20 . 1 1 9 9 PHE H H 9 8.403 8.403 7.601 0.802 18916 9007 1 20 . 1 1 10 10 LYS N N 10 120.104 120.104 122.788 -2.684 18916 9008 1 20 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.177 -0.034 18916 9009 1 20 . 1 1 10 10 LYS C C 10 177.600 177.600 177.777 -0.177 18916 9010 1 20 . 1 1 10 10 LYS CA C 10 58.508 58.508 59.055 -0.547 18916 9011 1 20 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.389 0.051 18916 9012 1 20 . 1 1 10 10 LYS H H 10 7.328 7.328 7.642 -0.314 18916 9013 1 20 . 1 1 11 11 ASN N N 11 116.960 116.960 112.907 4.053 18916 9014 1 20 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.813 -0.268 18916 9015 1 20 . 1 1 11 11 ASN C C 11 175.566 175.566 175.026 0.540 18916 9016 1 20 . 1 1 11 11 ASN CA C 11 55.479 55.479 53.203 2.276 18916 9017 1 20 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.349 -0.821 18916 9018 1 20 . 1 1 11 11 ASN H H 11 8.984 8.984 8.683 0.301 18916 9019 1 20 . 1 1 12 12 CYS N N 12 118.344 118.344 121.632 -3.288 18916 9020 1 20 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.593 0.533 18916 9021 1 20 . 1 1 12 12 CYS C C 12 175.014 175.014 173.806 1.208 18916 9022 1 20 . 1 1 12 12 CYS CA C 12 59.549 59.549 60.234 -0.685 18916 9023 1 20 . 1 1 12 12 CYS CB C 12 29.319 29.319 29.389 -0.070 18916 9024 1 20 . 1 1 12 12 CYS H H 12 8.460 8.460 7.683 0.777 18916 9025 1 20 . 1 1 13 13 VAL N N 13 128.765 128.765 126.484 2.281 18916 9026 1 20 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.598 -0.209 18916 9027 1 20 . 1 1 13 13 VAL C C 13 174.912 174.912 174.845 0.067 18916 9028 1 20 . 1 1 13 13 VAL CA C 13 62.294 62.294 62.398 -0.104 18916 9029 1 20 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.669 0.799 18916 9030 1 20 . 1 1 13 13 VAL H H 13 9.878 9.878 8.987 0.891 18916 9031 1 20 . 1 1 14 14 ILE N N 14 128.270 128.270 127.673 0.597 18916 9032 1 20 . 1 1 14 14 ILE HA H 14 5.200 5.200 4.805 0.395 18916 9033 1 20 . 1 1 14 14 ILE C C 14 174.098 174.098 174.568 -0.470 18916 9034 1 20 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.960 0.344 18916 9035 1 20 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.612 0.932 18916 9036 1 20 . 1 1 14 14 ILE H H 14 8.841 8.841 8.891 -0.050 18916 9037 1 20 . 1 1 15 15 TYR N N 15 125.475 125.475 128.089 -2.614 18916 9038 1 20 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.614 -0.505 18916 9039 1 20 . 1 1 15 15 TYR C C 15 173.023 173.023 173.852 -0.829 18916 9040 1 20 . 1 1 15 15 TYR CA C 15 55.886 55.886 54.958 0.928 18916 9041 1 20 . 1 1 15 15 TYR CB C 15 42.813 42.813 42.569 0.244 18916 9042 1 20 . 1 1 15 15 TYR H H 15 8.023 8.023 8.965 -0.942 18916 9043 1 20 . 1 1 16 16 ILE N N 16 128.262 128.262 124.789 3.473 18916 9044 1 20 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.249 0.118 18916 9045 1 20 . 1 1 16 16 ILE C C 16 173.895 173.895 173.752 0.143 18916 9046 1 20 . 1 1 16 16 ILE CA C 16 59.688 59.688 59.787 -0.099 18916 9047 1 20 . 1 1 16 16 ILE CB C 16 36.912 36.912 39.733 -2.821 18916 9048 1 20 . 1 1 16 16 ILE H H 16 8.708 8.708 7.896 0.812 18916 9049 1 20 . 1 1 17 17 ASN N N 17 126.842 126.842 125.007 1.835 18916 9050 1 20 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.716 -0.055 18916 9051 1 20 . 1 1 17 17 ASN C C 17 174.171 174.171 174.479 -0.308 18916 9052 1 20 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.652 1.235 18916 9053 1 20 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.752 1.192 18916 9054 1 20 . 1 1 17 17 ASN H H 17 8.974 8.974 8.630 0.344 18916 9055 1 20 . 1 1 18 18 GLY N N 18 113.508 113.508 112.015 1.493 18916 9056 1 20 . 1 1 18 18 GLY C C 18 172.529 172.529 173.096 -0.567 18916 9057 1 20 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.789 0.396 18916 9058 1 20 . 1 1 18 18 GLY H H 18 8.727 8.727 8.231 0.496 18916 9059 1 20 . 1 1 19 19 TYR N N 19 121.021 121.021 121.544 -0.523 18916 9060 1 20 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.634 -0.184 18916 9061 1 20 . 1 1 19 19 TYR C C 19 176.147 176.147 175.402 0.745 18916 9062 1 20 . 1 1 19 19 TYR CA C 19 58.982 58.982 56.886 2.096 18916 9063 1 20 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.231 0.470 18916 9064 1 20 . 1 1 19 19 TYR H H 19 8.651 8.651 8.557 0.094 18916 9065 1 20 . 1 1 20 20 THR N N 20 117.677 117.677 115.338 2.339 18916 9066 1 20 . 1 1 20 20 THR HA H 20 4.279 4.279 4.669 -0.390 18916 9067 1 20 . 1 1 20 20 THR C C 20 171.803 171.803 174.158 -2.355 18916 9068 1 20 . 1 1 20 20 THR CA C 20 59.986 59.986 60.305 -0.319 18916 9069 1 20 . 1 1 20 20 THR CB C 20 73.362 73.362 70.733 2.629 18916 9070 1 20 . 1 1 20 20 THR H H 20 7.242 7.242 8.245 -1.003 18916 9071 1 20 . 1 1 21 21 LYS N N 21 120.592 120.592 123.463 -2.871 18916 9072 1 20 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.746 -0.699 18916 9073 1 20 . 1 1 21 21 LYS CA C 21 54.030 54.030 53.156 0.874 18916 9074 1 20 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.528 2.298 18916 9075 1 20 . 1 1 21 21 LYS H H 21 7.718 7.718 8.623 -0.905 18916 9076 1 20 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.554 0.035 18916 9077 1 20 . 1 1 22 22 PRO C C 22 175.043 175.043 176.700 -1.657 18916 9078 1 20 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.249 0.699 18916 9079 1 20 . 1 1 22 22 PRO CB C 22 34.540 34.540 33.062 1.478 18916 9080 1 20 . 1 1 23 23 GLY N N 23 105.352 105.352 106.503 -1.151 18916 9081 1 20 . 1 1 23 23 GLY C C 23 172.762 172.762 175.839 -3.077 18916 9082 1 20 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.396 0.484 18916 9083 1 20 . 1 1 23 23 GLY H H 23 8.356 8.356 8.526 -0.170 18916 9084 1 20 . 1 1 24 24 ARG N N 24 119.274 119.274 121.929 -2.655 18916 9085 1 20 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.595 -0.320 18916 9086 1 20 . 1 1 24 24 ARG C C 24 176.263 176.263 178.164 -1.901 18916 9087 1 20 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.834 1.086 18916 9088 1 20 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.452 0.879 18916 9089 1 20 . 1 1 24 24 ARG H H 24 7.813 7.813 8.640 -0.827 18916 9090 1 20 . 1 1 25 25 LEU N N 25 116.403 116.403 116.021 0.382 18916 9091 1 20 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.160 -0.470 18916 9092 1 20 . 1 1 25 25 LEU C C 25 179.562 179.562 178.874 0.688 18916 9093 1 20 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.575 0.816 18916 9094 1 20 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.754 0.090 18916 9095 1 20 . 1 1 25 25 LEU H H 25 8.156 8.156 7.904 0.252 18916 9096 1 20 . 1 1 26 26 GLN N N 26 118.294 118.294 118.748 -0.454 18916 9097 1 20 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.296 -0.330 18916 9098 1 20 . 1 1 26 26 GLN C C 26 179.358 179.358 178.583 0.775 18916 9099 1 20 . 1 1 26 26 GLN CA C 26 59.322 59.322 57.749 1.573 18916 9100 1 20 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.450 -0.393 18916 9101 1 20 . 1 1 26 26 GLN H H 26 7.423 7.423 7.570 -0.147 18916 9102 1 20 . 1 1 27 27 LEU N N 27 119.419 119.419 120.086 -0.667 18916 9103 1 20 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.721 0.207 18916 9104 1 20 . 1 1 27 27 LEU C C 27 178.777 178.777 178.977 -0.200 18916 9105 1 20 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.240 -0.216 18916 9106 1 20 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.583 0.307 18916 9107 1 20 . 1 1 27 27 LEU H H 27 8.127 8.127 7.774 0.353 18916 9108 1 20 . 1 1 28 28 HIS N N 28 118.332 118.332 117.313 1.019 18916 9109 1 20 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.957 -0.215 18916 9110 1 20 . 1 1 28 28 HIS C C 28 177.121 177.121 177.653 -0.532 18916 9111 1 20 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.610 -1.812 18916 9112 1 20 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.556 -0.115 18916 9113 1 20 . 1 1 28 28 HIS H H 28 8.727 8.727 8.061 0.666 18916 9114 1 20 . 1 1 29 29 GLU N N 29 116.699 116.699 120.101 -3.402 18916 9115 1 20 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.886 0.092 18916 9116 1 20 . 1 1 29 29 GLU C C 29 178.951 178.951 178.947 0.004 18916 9117 1 20 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.186 0.090 18916 9118 1 20 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.543 0.141 18916 9119 1 20 . 1 1 29 29 GLU H H 29 7.518 7.518 7.814 -0.296 18916 9120 1 20 . 1 1 30 30 MET N N 30 118.090 118.090 116.787 1.303 18916 9121 1 20 . 1 1 30 30 MET HA H 30 4.055 4.055 4.290 -0.235 18916 9122 1 20 . 1 1 30 30 MET C C 30 177.992 177.992 178.778 -0.786 18916 9123 1 20 . 1 1 30 30 MET CA C 30 60.040 60.040 57.353 2.687 18916 9124 1 20 . 1 1 30 30 MET CB C 30 34.522 34.522 31.886 2.636 18916 9125 1 20 . 1 1 30 30 MET H H 30 7.766 7.766 7.874 -0.108 18916 9126 1 20 . 1 1 31 31 ILE N N 31 118.458 118.458 118.590 -0.132 18916 9127 1 20 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.505 -0.253 18916 9128 1 20 . 1 1 31 31 ILE C C 31 178.007 178.007 178.087 -0.080 18916 9129 1 20 . 1 1 31 31 ILE CA C 31 64.891 64.891 64.763 0.128 18916 9130 1 20 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.827 0.355 18916 9131 1 20 . 1 1 31 31 ILE H H 31 8.337 8.337 7.633 0.704 18916 9132 1 20 . 1 1 32 32 VAL N N 32 117.878 117.878 120.319 -2.441 18916 9133 1 20 . 1 1 32 32 VAL HA H 32 4.003 4.003 3.983 0.020 18916 9134 1 20 . 1 1 32 32 VAL C C 32 180.884 180.884 178.907 1.977 18916 9135 1 20 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.760 -0.384 18916 9136 1 20 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.791 0.206 18916 9137 1 20 . 1 1 32 32 VAL H H 32 7.888 7.888 7.727 0.161 18916 9138 1 20 . 1 1 33 33 LEU N N 33 123.609 123.609 118.448 5.161 18916 9139 1 20 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.073 -0.000 18916 9140 1 20 . 1 1 33 33 LEU C C 33 177.498 177.498 177.570 -0.072 18916 9141 1 20 . 1 1 33 33 LEU CA C 33 57.662 57.662 56.732 0.930 18916 9142 1 20 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.806 1.484 18916 9143 1 20 . 1 1 33 33 LEU H H 33 8.281 8.281 8.053 0.228 18916 9144 1 20 . 1 1 34 34 HIS N N 34 113.272 113.272 115.753 -2.481 18916 9145 1 20 . 1 1 34 34 HIS HA H 34 4.715 4.715 5.024 -0.309 18916 9146 1 20 . 1 1 34 34 HIS C C 34 175.464 175.464 175.990 -0.526 18916 9147 1 20 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.800 0.596 18916 9148 1 20 . 1 1 34 34 HIS CB C 34 29.768 29.768 30.078 -0.310 18916 9149 1 20 . 1 1 34 34 HIS H H 34 7.319 7.319 7.457 -0.138 18916 9150 1 20 . 1 1 35 35 GLY N N 35 104.307 104.307 107.602 -3.295 18916 9151 1 20 . 1 1 35 35 GLY C C 35 174.985 174.985 174.242 0.743 18916 9152 1 20 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.673 1.641 18916 9153 1 20 . 1 1 35 35 GLY H H 35 7.392 7.392 8.076 -0.684 18916 9154 1 20 . 1 1 36 36 GLY N N 36 108.630 108.630 107.728 0.902 18916 9155 1 20 . 1 1 36 36 GLY C C 36 171.701 171.701 173.088 -1.387 18916 9156 1 20 . 1 1 36 36 GLY CA C 36 44.392 44.392 44.006 0.386 18916 9157 1 20 . 1 1 36 36 GLY H H 36 8.763 8.763 8.046 0.717 18916 9158 1 20 . 1 1 37 37 LYS N N 37 115.119 115.119 121.837 -6.718 18916 9159 1 20 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.915 -0.301 18916 9160 1 20 . 1 1 37 37 LYS C C 37 174.302 174.302 175.099 -0.797 18916 9161 1 20 . 1 1 37 37 LYS CA C 37 54.319 54.319 54.135 0.184 18916 9162 1 20 . 1 1 37 37 LYS CB C 37 37.250 37.250 35.642 1.608 18916 9163 1 20 . 1 1 37 37 LYS H H 37 7.406 7.406 8.149 -0.743 18916 9164 1 20 . 1 1 38 38 PHE N N 38 117.196 117.196 120.881 -3.685 18916 9165 1 20 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.838 0.050 18916 9166 1 20 . 1 1 38 38 PHE C C 38 173.604 173.604 173.951 -0.347 18916 9167 1 20 . 1 1 38 38 PHE CA C 38 54.852 54.852 54.763 0.090 18916 9168 1 20 . 1 1 38 38 PHE CB C 38 43.379 43.379 41.912 1.467 18916 9169 1 20 . 1 1 38 38 PHE H H 38 7.844 7.844 8.269 -0.425 18916 9170 1 20 . 1 1 39 39 LEU N N 39 119.576 119.576 121.647 -2.071 18916 9171 1 20 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.535 0.069 18916 9172 1 20 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.702 -1.041 18916 9173 1 20 . 1 1 39 39 LEU CB C 39 45.901 45.901 45.768 0.133 18916 9174 1 20 . 1 1 39 39 LEU H H 39 8.223 8.223 8.653 -0.430 18916 9175 1 20 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.821 -0.182 18916 9176 1 20 . 1 1 40 40 HIS C C 40 174.694 174.694 174.036 0.658 18916 9177 1 20 . 1 1 40 40 HIS CA C 40 58.670 58.670 56.286 2.384 18916 9178 1 20 . 1 1 40 40 HIS CB C 40 31.890 31.890 32.587 -0.697 18916 9179 1 20 . 1 1 41 41 TYR N N 41 115.005 115.005 116.381 -1.376 18916 9180 1 20 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.689 -0.029 18916 9181 1 20 . 1 1 41 41 TYR C C 41 173.023 173.023 174.168 -1.145 18916 9182 1 20 . 1 1 41 41 TYR CA C 41 55.898 55.898 56.075 -0.178 18916 9183 1 20 . 1 1 41 41 TYR CB C 41 40.313 40.313 39.298 1.015 18916 9184 1 20 . 1 1 41 41 TYR H H 41 7.363 7.363 7.381 -0.018 18916 9185 1 20 . 1 1 42 42 LEU N N 42 121.687 121.687 123.298 -1.611 18916 9186 1 20 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.386 -0.498 18916 9187 1 20 . 1 1 42 42 LEU CA C 42 54.041 54.041 53.283 0.758 18916 9188 1 20 . 1 1 42 42 LEU CB C 42 41.096 41.096 42.274 -1.178 18916 9189 1 20 . 1 1 42 42 LEU H H 42 8.252 8.252 8.138 0.114 18916 9190 1 20 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.612 -0.378 18916 9191 1 20 . 1 1 46 46 LYS CA C 46 56.885 56.885 57.365 -0.480 18916 9192 1 20 . 1 1 46 46 LYS CB C 46 32.542 32.542 30.880 1.662 18916 9193 1 20 . 1 1 47 47 THR HA H 47 4.168 4.168 4.157 0.011 18916 9194 1 20 . 1 1 47 47 THR C C 47 174.186 174.186 173.555 0.631 18916 9195 1 20 . 1 1 47 47 THR CA C 47 62.706 62.706 63.743 -1.037 18916 9196 1 20 . 1 1 47 47 THR CB C 47 69.762 69.762 69.229 0.533 18916 9197 1 20 . 1 1 48 48 VAL N N 48 123.218 123.218 118.924 4.294 18916 9198 1 20 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.293 -0.450 18916 9199 1 20 . 1 1 48 48 VAL C C 48 174.985 174.985 173.877 1.108 18916 9200 1 20 . 1 1 48 48 VAL CA C 48 62.146 62.146 61.041 1.105 18916 9201 1 20 . 1 1 48 48 VAL CB C 48 33.167 33.167 34.118 -0.951 18916 9202 1 20 . 1 1 48 48 VAL H H 48 7.771 7.771 7.083 0.688 18916 9203 1 20 . 1 1 49 49 THR N N 49 116.982 116.982 116.261 0.721 18916 9204 1 20 . 1 1 49 49 THR HA H 49 4.319 4.319 4.593 -0.274 18916 9205 1 20 . 1 1 49 49 THR C C 49 176.118 176.118 173.767 2.351 18916 9206 1 20 . 1 1 49 49 THR CA C 49 62.831 62.831 61.056 1.775 18916 9207 1 20 . 1 1 49 49 THR CB C 49 69.114 69.114 70.300 -1.186 18916 9208 1 20 . 1 1 49 49 THR H H 49 9.798 9.798 8.203 1.595 18916 9209 1 20 . 1 1 50 50 HIS N N 50 121.799 121.799 119.267 2.532 18916 9210 1 20 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.268 -0.352 18916 9211 1 20 . 1 1 50 50 HIS C C 50 172.849 172.849 173.422 -0.573 18916 9212 1 20 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.677 1.977 18916 9213 1 20 . 1 1 50 50 HIS CB C 50 34.649 34.649 33.462 1.187 18916 9214 1 20 . 1 1 50 50 HIS H H 50 7.596 7.596 8.038 -0.442 18916 9215 1 20 . 1 1 51 51 ILE N N 51 123.013 123.013 123.608 -0.595 18916 9216 1 20 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.590 0.390 18916 9217 1 20 . 1 1 51 51 ILE C C 51 174.505 174.505 174.440 0.065 18916 9218 1 20 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.317 -1.350 18916 9219 1 20 . 1 1 51 51 ILE CB C 51 39.153 39.153 40.941 -1.788 18916 9220 1 20 . 1 1 51 51 ILE H H 51 8.996 8.996 8.268 0.728 18916 9221 1 20 . 1 1 52 52 VAL N N 52 127.413 127.413 127.308 0.105 18916 9222 1 20 . 1 1 52 52 VAL HA H 52 5.302 5.302 5.029 0.273 18916 9223 1 20 . 1 1 52 52 VAL C C 52 174.084 174.084 174.344 -0.260 18916 9224 1 20 . 1 1 52 52 VAL CA C 52 59.207 59.207 60.483 -1.276 18916 9225 1 20 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.356 0.903 18916 9226 1 20 . 1 1 52 52 VAL H H 52 8.821 8.821 8.460 0.361 18916 9227 1 20 . 1 1 53 53 ALA N N 53 127.601 127.601 129.776 -2.175 18916 9228 1 20 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.154 -0.532 18916 9229 1 20 . 1 1 53 53 ALA C C 53 174.680 174.680 176.890 -2.210 18916 9230 1 20 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.908 0.002 18916 9231 1 20 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.343 0.817 18916 9232 1 20 . 1 1 53 53 ALA H H 53 8.967 8.967 8.636 0.331 18916 9233 1 20 . 1 1 54 54 SER N N 54 113.005 113.005 115.722 -2.717 18916 9234 1 20 . 1 1 54 54 SER HA H 54 4.657 4.657 4.419 0.238 18916 9235 1 20 . 1 1 54 54 SER C C 54 174.229 174.229 174.584 -0.355 18916 9236 1 20 . 1 1 54 54 SER CA C 54 59.671 59.671 59.633 0.038 18916 9237 1 20 . 1 1 54 54 SER CB C 54 64.852 64.852 63.471 1.381 18916 9238 1 20 . 1 1 54 54 SER H H 54 9.303 9.303 8.862 0.441 18916 9239 1 20 . 1 1 55 55 ASN N N 55 117.475 117.475 118.608 -1.133 18916 9240 1 20 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.860 -0.259 18916 9241 1 20 . 1 1 55 55 ASN C C 55 173.052 173.052 173.332 -0.280 18916 9242 1 20 . 1 1 55 55 ASN CA C 55 53.125 53.125 53.146 -0.021 18916 9243 1 20 . 1 1 55 55 ASN CB C 55 40.610 40.610 39.452 1.158 18916 9244 1 20 . 1 1 55 55 ASN H H 55 7.917 7.917 8.034 -0.117 18916 9245 1 20 . 1 1 56 56 LEU N N 56 122.146 122.146 126.301 -4.155 18916 9246 1 20 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.828 -0.028 18916 9247 1 20 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.515 0.390 18916 9248 1 20 . 1 1 56 56 LEU CB C 56 44.592 44.592 42.861 1.732 18916 9249 1 20 . 1 1 56 56 LEU H H 56 8.792 8.792 8.483 0.309 18916 9250 1 20 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.530 0.035 18916 9251 1 20 . 1 1 57 57 PRO CA C 57 62.190 62.190 63.242 -1.052 18916 9252 1 20 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.639 -0.140 18916 9253 1 20 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.951 -0.031 18916 9254 1 20 . 1 1 58 58 LEU C C 58 178.806 178.806 178.886 -0.080 18916 9255 1 20 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.812 0.360 18916 9256 1 20 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.790 -0.201 18916 9257 1 20 . 1 1 59 59 LYS N N 59 115.039 115.039 119.562 -4.523 18916 9258 1 20 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.005 -0.033 18916 9259 1 20 . 1 1 59 59 LYS C C 59 179.053 179.053 178.436 0.617 18916 9260 1 20 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.943 0.581 18916 9261 1 20 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.144 1.267 18916 9262 1 20 . 1 1 59 59 LYS H H 59 8.763 8.763 8.389 0.374 18916 9263 1 20 . 1 1 60 60 LYS N N 60 116.433 116.433 118.264 -1.831 18916 9264 1 20 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.743 0.217 18916 9265 1 20 . 1 1 60 60 LYS C C 60 176.874 176.874 179.291 -2.417 18916 9266 1 20 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.753 -3.032 18916 9267 1 20 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.721 0.212 18916 9268 1 20 . 1 1 60 60 LYS H H 60 7.158 7.158 8.233 -1.075 18916 9269 1 20 . 1 1 61 61 ARG N N 61 120.369 120.369 118.674 1.695 18916 9270 1 20 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.120 -0.296 18916 9271 1 20 . 1 1 61 61 ARG C C 61 179.213 179.213 178.546 0.667 18916 9272 1 20 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.574 0.240 18916 9273 1 20 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.073 -0.203 18916 9274 1 20 . 1 1 61 61 ARG H H 61 7.902 7.902 7.906 -0.004 18916 9275 1 20 . 1 1 62 62 ILE N N 62 117.956 117.956 118.461 -0.505 18916 9276 1 20 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.743 0.065 18916 9277 1 20 . 1 1 62 62 ILE C C 62 178.966 178.966 178.414 0.552 18916 9278 1 20 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.813 -0.651 18916 9279 1 20 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.655 0.364 18916 9280 1 20 . 1 1 62 62 ILE H H 62 7.727 7.727 7.448 0.279 18916 9281 1 20 . 1 1 63 63 GLU N N 63 121.877 121.877 120.039 1.838 18916 9282 1 20 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.121 -0.171 18916 9283 1 20 . 1 1 63 63 GLU C C 63 178.792 178.792 177.943 0.849 18916 9284 1 20 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.291 1.011 18916 9285 1 20 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.452 0.370 18916 9286 1 20 . 1 1 63 63 GLU H H 63 7.713 7.713 7.912 -0.199 18916 9287 1 20 . 1 1 64 64 PHE N N 64 115.684 115.684 116.981 -1.297 18916 9288 1 20 . 1 1 64 64 PHE HA H 64 5.078 5.078 5.080 -0.002 18916 9289 1 20 . 1 1 64 64 PHE C C 64 175.886 175.886 175.332 0.554 18916 9290 1 20 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.028 -1.169 18916 9291 1 20 . 1 1 64 64 PHE CB C 64 37.431 37.431 37.923 -0.492 18916 9292 1 20 . 1 1 64 64 PHE H H 64 8.077 8.077 7.855 0.222 18916 9293 1 20 . 1 1 65 65 ALA N N 65 122.616 122.616 123.119 -0.503 18916 9294 1 20 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.248 -0.084 18916 9295 1 20 . 1 1 65 65 ALA C C 65 178.356 178.356 177.659 0.697 18916 9296 1 20 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.293 1.128 18916 9297 1 20 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.991 0.252 18916 9298 1 20 . 1 1 65 65 ALA H H 65 7.290 7.290 7.357 -0.067 18916 9299 1 20 . 1 1 66 66 ASN N N 66 112.567 112.567 113.695 -1.128 18916 9300 1 20 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.519 0.086 18916 9301 1 20 . 1 1 66 66 ASN C C 66 174.374 174.374 175.172 -0.798 18916 9302 1 20 . 1 1 66 66 ASN CA C 66 53.354 53.354 53.667 -0.313 18916 9303 1 20 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.398 -0.479 18916 9304 1 20 . 1 1 66 66 ASN H H 66 8.602 8.602 8.252 0.350 18916 9305 1 20 . 1 1 67 67 TYR N N 67 118.682 118.682 118.736 -0.054 18916 9306 1 20 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.318 0.210 18916 9307 1 20 . 1 1 67 67 TYR C C 67 175.072 175.072 176.195 -1.123 18916 9308 1 20 . 1 1 67 67 TYR CA C 67 56.641 56.641 57.587 -0.946 18916 9309 1 20 . 1 1 67 67 TYR CB C 67 40.822 40.822 38.926 1.896 18916 9310 1 20 . 1 1 67 67 TYR H H 67 7.873 7.873 7.105 0.768 18916 9311 1 20 . 1 1 68 68 LYS N N 68 121.419 121.419 124.700 -3.281 18916 9312 1 20 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.181 -0.381 18916 9313 1 20 . 1 1 68 68 LYS C C 68 174.491 174.491 175.763 -1.272 18916 9314 1 20 . 1 1 68 68 LYS CA C 68 56.246 56.246 54.289 1.957 18916 9315 1 20 . 1 1 68 68 LYS CB C 68 32.664 32.664 29.581 3.083 18916 9316 1 20 . 1 1 68 68 LYS H H 68 7.771 7.771 8.418 -0.647 18916 9317 1 20 . 1 1 69 69 VAL N N 69 126.113 126.113 122.019 4.094 18916 9318 1 20 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.863 0.319 18916 9319 1 20 . 1 1 69 69 VAL C C 69 176.365 176.365 175.557 0.808 18916 9320 1 20 . 1 1 69 69 VAL CA C 69 60.879 60.879 61.661 -0.782 18916 9321 1 20 . 1 1 69 69 VAL CB C 69 32.355 32.355 32.057 0.298 18916 9322 1 20 . 1 1 69 69 VAL H H 69 8.384 8.384 7.904 0.480 18916 9323 1 20 . 1 1 70 70 VAL N N 70 120.358 120.358 119.234 1.124 18916 9324 1 20 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.213 0.164 18916 9325 1 20 . 1 1 70 70 VAL C C 70 174.040 174.040 175.380 -1.340 18916 9326 1 20 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.745 -0.896 18916 9327 1 20 . 1 1 70 70 VAL CB C 70 36.753 36.753 36.029 0.724 18916 9328 1 20 . 1 1 70 70 VAL H H 70 9.390 9.390 9.011 0.379 18916 9329 1 20 . 1 1 71 71 SER N N 71 114.634 114.634 116.131 -1.497 18916 9330 1 20 . 1 1 71 71 SER HA H 71 5.630 5.630 5.543 0.087 18916 9331 1 20 . 1 1 71 71 SER CA C 71 60.584 60.584 55.928 4.656 18916 9332 1 20 . 1 1 71 71 SER CB C 71 60.367 60.367 62.486 -2.119 18916 9333 1 20 . 1 1 71 71 SER H H 71 8.354 8.354 8.352 0.002 18916 9334 1 20 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.290 -0.154 18916 9335 1 20 . 1 1 72 72 PRO C C 72 177.193 177.193 177.645 -0.452 18916 9336 1 20 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.316 -0.254 18916 9337 1 20 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.730 0.609 18916 9338 1 20 . 1 1 73 73 ASP N N 73 115.868 115.868 118.684 -2.816 18916 9339 1 20 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.220 -0.018 18916 9340 1 20 . 1 1 73 73 ASP C C 73 175.450 175.450 177.758 -2.308 18916 9341 1 20 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.211 -1.785 18916 9342 1 20 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.805 -0.450 18916 9343 1 20 . 1 1 73 73 ASP H H 73 8.427 8.427 8.436 -0.009 18916 9344 1 20 . 1 1 74 74 TRP N N 74 121.252 121.252 121.536 -0.284 18916 9345 1 20 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.729 -1.111 18916 9346 1 20 . 1 1 74 74 TRP C C 74 178.472 178.472 177.394 1.078 18916 9347 1 20 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.708 -0.693 18916 9348 1 20 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.369 -0.639 18916 9349 1 20 . 1 1 74 74 TRP H H 74 7.833 7.833 7.482 0.351 18916 9350 1 20 . 1 1 75 75 ILE N N 75 116.185 116.185 118.715 -2.530 18916 9351 1 20 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.280 -0.036 18916 9352 1 20 . 1 1 75 75 ILE C C 75 176.728 176.728 177.868 -1.140 18916 9353 1 20 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.543 -1.648 18916 9354 1 20 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.184 0.037 18916 9355 1 20 . 1 1 75 75 ILE H H 75 6.969 6.969 7.238 -0.269 18916 9356 1 20 . 1 1 76 76 VAL N N 76 117.042 117.042 119.890 -2.848 18916 9357 1 20 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.387 -0.191 18916 9358 1 20 . 1 1 76 76 VAL C C 76 178.675 178.675 177.814 0.861 18916 9359 1 20 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.207 -0.262 18916 9360 1 20 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.413 1.232 18916 9361 1 20 . 1 1 76 76 VAL H H 76 7.056 7.056 8.050 -0.994 18916 9362 1 20 . 1 1 77 77 ASP N N 77 120.009 120.009 118.441 1.568 18916 9363 1 20 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.416 -0.112 18916 9364 1 20 . 1 1 77 77 ASP C C 77 178.515 178.515 178.410 0.105 18916 9365 1 20 . 1 1 77 77 ASP CA C 77 56.998 56.998 56.654 0.344 18916 9366 1 20 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.618 -1.768 18916 9367 1 20 . 1 1 77 77 ASP H H 77 9.171 9.171 7.917 1.254 18916 9368 1 20 . 1 1 78 78 SER N N 78 117.973 117.973 116.287 1.686 18916 9369 1 20 . 1 1 78 78 SER HA H 78 4.391 4.391 4.168 0.223 18916 9370 1 20 . 1 1 78 78 SER C C 78 175.290 175.290 176.137 -0.847 18916 9371 1 20 . 1 1 78 78 SER CA C 78 62.948 62.948 62.100 0.848 18916 9372 1 20 . 1 1 78 78 SER CB C 78 63.080 63.080 62.921 0.159 18916 9373 1 20 . 1 1 78 78 SER H H 78 7.056 7.056 7.675 -0.619 18916 9374 1 20 . 1 1 79 79 VAL N N 79 119.889 119.889 120.552 -0.663 18916 9375 1 20 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.436 -0.528 18916 9376 1 20 . 1 1 79 79 VAL C C 79 179.169 179.169 177.473 1.696 18916 9377 1 20 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.987 0.877 18916 9378 1 20 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.448 -0.619 18916 9379 1 20 . 1 1 79 79 VAL H H 79 7.596 7.596 7.479 0.117 18916 9380 1 20 . 1 1 80 80 LYS N N 80 121.062 121.062 119.338 1.724 18916 9381 1 20 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.008 -0.118 18916 9382 1 20 . 1 1 80 80 LYS C C 80 178.806 178.806 178.385 0.421 18916 9383 1 20 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.917 0.862 18916 9384 1 20 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.496 -0.165 18916 9385 1 20 . 1 1 80 80 LYS H H 80 7.946 7.946 7.663 0.283 18916 9386 1 20 . 1 1 81 81 GLU N N 81 115.870 115.870 115.473 0.397 18916 9387 1 20 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.333 -0.205 18916 9388 1 20 . 1 1 81 81 GLU C C 81 174.912 174.912 176.109 -1.197 18916 9389 1 20 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.673 0.797 18916 9390 1 20 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.494 0.119 18916 9391 1 20 . 1 1 81 81 GLU H H 81 8.063 8.063 7.862 0.201 18916 9392 1 20 . 1 1 82 82 ALA N N 82 122.380 122.380 120.364 2.016 18916 9393 1 20 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.938 -0.230 18916 9394 1 20 . 1 1 82 82 ALA C C 82 175.711 175.711 176.169 -0.458 18916 9395 1 20 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.240 -0.779 18916 9396 1 20 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.211 -0.630 18916 9397 1 20 . 1 1 82 82 ALA H H 82 7.931 7.931 7.639 0.292 18916 9398 1 20 . 1 1 83 83 ARG N N 83 115.619 115.619 114.681 0.938 18916 9399 1 20 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.635 -0.445 18916 9400 1 20 . 1 1 83 83 ARG C C 83 172.050 172.050 173.959 -1.909 18916 9401 1 20 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.800 1.362 18916 9402 1 20 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.304 0.051 18916 9403 1 20 . 1 1 83 83 ARG H H 83 8.165 8.165 7.750 0.415 18916 9404 1 20 . 1 1 84 84 LEU N N 84 120.648 120.648 122.628 -1.980 18916 9405 1 20 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.349 -0.633 18916 9406 1 20 . 1 1 84 84 LEU C C 84 176.917 176.917 175.511 1.406 18916 9407 1 20 . 1 1 84 84 LEU CA C 84 54.985 54.985 53.717 1.268 18916 9408 1 20 . 1 1 84 84 LEU CB C 84 41.311 41.311 41.776 -0.465 18916 9409 1 20 . 1 1 84 84 LEU H H 84 8.325 8.325 8.437 -0.112 18916 9410 1 20 . 1 1 85 85 LEU N N 85 132.955 132.955 130.316 2.639 18916 9411 1 20 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.908 -0.311 18916 9412 1 20 . 1 1 85 85 LEU CA C 85 53.648 53.648 52.084 1.564 18916 9413 1 20 . 1 1 85 85 LEU CB C 85 40.363 40.363 42.287 -1.924 18916 9414 1 20 . 1 1 85 85 LEU H H 85 7.946 7.946 8.092 -0.146 18916 9415 1 20 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.600 -0.015 18916 9416 1 20 . 1 1 86 86 PRO C C 86 178.835 178.835 177.890 0.945 18916 9417 1 20 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.283 0.492 18916 9418 1 20 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.600 -0.051 18916 9419 1 20 . 1 1 87 87 TRP N N 87 128.323 128.323 125.855 2.468 18916 9420 1 20 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.809 -0.174 18916 9421 1 20 . 1 1 87 87 TRP C C 87 177.963 177.963 177.095 0.868 18916 9422 1 20 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.187 0.366 18916 9423 1 20 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.594 -0.633 18916 9424 1 20 . 1 1 87 87 TRP H H 87 8.369 8.369 8.683 -0.314 18916 9425 1 20 . 1 1 88 88 GLN N N 88 120.928 120.928 119.549 1.379 18916 9426 1 20 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.505 -0.600 18916 9427 1 20 . 1 1 88 88 GLN C C 88 178.196 178.196 177.746 0.450 18916 9428 1 20 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.970 1.952 18916 9429 1 20 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.424 -0.965 18916 9430 1 20 . 1 1 88 88 GLN H H 88 8.354 8.354 7.859 0.495 18916 9431 1 20 . 1 1 89 89 ASN N N 89 116.452 116.452 118.445 -1.993 18916 9432 1 20 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.401 -0.102 18916 9433 1 20 . 1 1 89 89 ASN C C 89 174.752 174.752 175.587 -0.835 18916 9434 1 20 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.837 -0.706 18916 9435 1 20 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.369 -1.008 18916 9436 1 20 . 1 1 89 89 ASN H H 89 7.304 7.304 7.724 -0.420 18916 9437 1 20 . 1 1 90 90 TYR N N 90 118.336 118.336 114.937 3.399 18916 9438 1 20 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.731 -0.117 18916 9439 1 20 . 1 1 90 90 TYR C C 90 174.534 174.534 174.602 -0.068 18916 9440 1 20 . 1 1 90 90 TYR CA C 90 57.534 57.534 56.036 1.498 18916 9441 1 20 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.416 1.737 18916 9442 1 20 . 1 1 90 90 TYR H H 90 8.048 8.048 7.593 0.455 18916 9443 1 20 . 1 1 91 91 SER N N 91 114.053 114.053 117.266 -3.213 18916 9444 1 20 . 1 1 91 91 SER HA H 91 5.015 5.015 4.859 0.156 18916 9445 1 20 . 1 1 91 91 SER C C 91 176.205 176.205 175.448 0.757 18916 9446 1 20 . 1 1 91 91 SER CA C 91 58.037 58.037 58.304 -0.267 18916 9447 1 20 . 1 1 91 91 SER CB C 91 64.342 64.342 63.176 1.166 18916 9448 1 20 . 1 1 91 91 SER H H 91 7.012 7.012 7.403 -0.391 18916 9449 1 20 . 1 1 92 92 LEU N N 92 126.106 126.106 128.678 -2.572 18916 9450 1 20 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.517 0.088 18916 9451 1 20 . 1 1 92 92 LEU C C 92 177.687 177.687 177.275 0.412 18916 9452 1 20 . 1 1 92 92 LEU CA C 92 55.405 55.405 54.897 0.508 18916 9453 1 20 . 1 1 92 92 LEU CB C 92 42.887 42.887 42.001 0.886 18916 9454 1 20 . 1 1 92 92 LEU H H 92 8.777 8.777 8.416 0.361 18916 9455 1 20 . 1 1 93 93 THR N N 93 112.458 112.458 112.607 -0.149 18916 9456 1 20 . 1 1 93 93 THR HA H 93 4.489 4.489 4.297 0.192 18916 9457 1 20 . 1 1 93 93 THR C C 93 173.851 173.851 175.055 -1.204 18916 9458 1 20 . 1 1 93 93 THR CA C 93 61.318 61.318 63.757 -2.439 18916 9459 1 20 . 1 1 93 93 THR CB C 93 69.853 69.853 69.331 0.522 18916 9460 1 20 . 1 1 93 93 THR H H 93 8.252 8.252 7.662 0.590 18916 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 75 2.371 0.457 2.343 18916 2 1 1 "Average Difference" HA 89 0.380 0.109 0.366 18916 3 1 1 "Average Difference" C 76 1.127 0.110 1.129 18916 4 1 1 "Average Difference" CA 85 1.320 -0.348 1.281 18916 5 1 1 "Average Difference" CB 81 1.277 -0.137 1.278 18916 6 1 1 "Average Difference" HN 75 0.537 -0.112 0.529 18916 7 1 2 "Average Difference" N 75 2.369 0.491 2.333 18916 8 1 2 "Average Difference" HA 89 0.330 0.112 0.312 18916 9 1 2 "Average Difference" C 76 0.993 0.168 0.985 18916 10 1 2 "Average Difference" CA 85 1.312 -0.307 1.283 18916 11 1 2 "Average Difference" CB 81 1.120 -0.228 1.104 18916 12 1 2 "Average Difference" HN 75 0.506 -0.094 0.500 18916 13 1 3 "Average Difference" N 75 2.364 0.345 2.355 18916 14 1 3 "Average Difference" HA 89 0.361 0.092 0.351 18916 15 1 3 "Average Difference" C 76 1.173 0.171 1.169 18916 16 1 3 "Average Difference" CA 85 1.250 -0.213 1.239 18916 17 1 3 "Average Difference" CB 81 1.162 -0.190 1.154 18916 18 1 3 "Average Difference" HN 75 0.554 -0.120 0.545 18916 19 1 4 "Average Difference" N 75 2.377 0.361 2.365 18916 20 1 4 "Average Difference" HA 89 0.327 0.114 0.308 18916 21 1 4 "Average Difference" C 76 1.072 0.227 1.055 18916 22 1 4 "Average Difference" CA 85 1.305 -0.155 1.304 18916 23 1 4 "Average Difference" CB 81 1.133 -0.276 1.106 18916 24 1 4 "Average Difference" HN 75 0.497 -0.061 0.497 18916 25 1 5 "Average Difference" N 75 2.482 0.822 2.357 18916 26 1 5 "Average Difference" HA 89 0.334 0.079 0.326 18916 27 1 5 "Average Difference" C 76 1.138 0.299 1.106 18916 28 1 5 "Average Difference" CA 85 1.305 -0.193 1.298 18916 29 1 5 "Average Difference" CB 81 1.228 -0.282 1.202 18916 30 1 5 "Average Difference" HN 75 0.501 -0.087 0.496 18916 31 1 6 "Average Difference" N 75 2.385 0.509 2.345 18916 32 1 6 "Average Difference" HA 89 0.349 0.118 0.331 18916 33 1 6 "Average Difference" C 76 1.097 0.266 1.071 18916 34 1 6 "Average Difference" CA 85 1.311 -0.268 1.291 18916 35 1 6 "Average Difference" CB 81 1.141 -0.215 1.128 18916 36 1 6 "Average Difference" HN 75 0.562 -0.053 0.564 18916 37 1 7 "Average Difference" N 75 2.407 0.768 2.297 18916 38 1 7 "Average Difference" HA 89 0.378 0.109 0.364 18916 39 1 7 "Average Difference" C 76 1.164 0.174 1.158 18916 40 1 7 "Average Difference" CA 85 1.292 -0.247 1.276 18916 41 1 7 "Average Difference" CB 81 1.147 -0.294 1.116 18916 42 1 7 "Average Difference" HN 75 0.566 -0.114 0.558 18916 43 1 8 "Average Difference" N 75 2.435 0.446 2.410 18916 44 1 8 "Average Difference" HA 89 0.364 0.100 0.352 18916 45 1 8 "Average Difference" C 76 1.098 0.197 1.087 18916 46 1 8 "Average Difference" CA 85 1.238 -0.198 1.230 18916 47 1 8 "Average Difference" CB 81 1.212 -0.268 1.189 18916 48 1 8 "Average Difference" HN 75 0.517 -0.083 0.514 18916 49 1 9 "Average Difference" N 75 2.447 0.353 2.438 18916 50 1 9 "Average Difference" HA 89 0.355 0.089 0.345 18916 51 1 9 "Average Difference" C 76 1.084 0.188 1.075 18916 52 1 9 "Average Difference" CA 85 1.173 -0.239 1.155 18916 53 1 9 "Average Difference" CB 81 1.209 -0.214 1.198 18916 54 1 9 "Average Difference" HN 75 0.535 -0.095 0.530 18916 55 1 10 "Average Difference" N 75 2.266 0.298 2.261 18916 56 1 10 "Average Difference" HA 89 0.347 0.101 0.334 18916 57 1 10 "Average Difference" C 76 1.071 0.248 1.049 18916 58 1 10 "Average Difference" CA 85 1.131 -0.174 1.124 18916 59 1 10 "Average Difference" CB 81 1.129 -0.234 1.112 18916 60 1 10 "Average Difference" HN 75 0.542 -0.091 0.538 18916 61 1 11 "Average Difference" N 75 2.389 0.689 2.303 18916 62 1 11 "Average Difference" HA 89 0.375 0.088 0.367 18916 63 1 11 "Average Difference" C 76 1.152 0.201 1.142 18916 64 1 11 "Average Difference" CA 85 1.282 -0.218 1.271 18916 65 1 11 "Average Difference" CB 81 1.162 -0.277 1.135 18916 66 1 11 "Average Difference" HN 75 0.543 -0.117 0.534 18916 67 1 12 "Average Difference" N 75 2.179 0.726 2.069 18916 68 1 12 "Average Difference" HA 89 0.391 0.088 0.383 18916 69 1 12 "Average Difference" C 76 1.080 0.235 1.061 18916 70 1 12 "Average Difference" CA 85 1.260 -0.136 1.260 18916 71 1 12 "Average Difference" CB 81 1.241 -0.383 1.187 18916 72 1 12 "Average Difference" HN 75 0.548 -0.118 0.539 18916 73 1 13 "Average Difference" N 75 2.363 0.716 2.268 18916 74 1 13 "Average Difference" HA 89 0.363 0.079 0.356 18916 75 1 13 "Average Difference" C 76 1.070 0.241 1.049 18916 76 1 13 "Average Difference" CA 85 1.243 -0.227 1.229 18916 77 1 13 "Average Difference" CB 81 1.179 -0.350 1.133 18916 78 1 13 "Average Difference" HN 75 0.556 -0.075 0.555 18916 79 1 14 "Average Difference" N 75 2.527 0.539 2.486 18916 80 1 14 "Average Difference" HA 89 0.365 0.115 0.348 18916 81 1 14 "Average Difference" C 76 1.117 0.171 1.111 18916 82 1 14 "Average Difference" CA 85 1.248 -0.278 1.224 18916 83 1 14 "Average Difference" CB 81 1.273 -0.190 1.267 18916 84 1 14 "Average Difference" HN 75 0.548 -0.099 0.543 18916 85 1 15 "Average Difference" N 75 2.379 0.514 2.338 18916 86 1 15 "Average Difference" HA 89 0.346 0.088 0.337 18916 87 1 15 "Average Difference" C 76 1.052 0.228 1.034 18916 88 1 15 "Average Difference" CA 85 1.178 -0.224 1.163 18916 89 1 15 "Average Difference" CB 81 1.168 -0.278 1.142 18916 90 1 15 "Average Difference" HN 75 0.534 -0.086 0.530 18916 91 1 16 "Average Difference" N 75 2.237 0.558 2.181 18916 92 1 16 "Average Difference" HA 89 0.381 0.094 0.371 18916 93 1 16 "Average Difference" C 76 1.034 0.161 1.028 18916 94 1 16 "Average Difference" CA 85 1.230 -0.288 1.202 18916 95 1 16 "Average Difference" CB 81 1.160 -0.323 1.121 18916 96 1 16 "Average Difference" HN 75 0.542 -0.093 0.538 18916 97 1 17 "Average Difference" N 75 2.416 0.523 2.374 18916 98 1 17 "Average Difference" HA 89 0.346 0.108 0.331 18916 99 1 17 "Average Difference" C 76 1.037 0.170 1.030 18916 100 1 17 "Average Difference" CA 85 1.287 -0.223 1.275 18916 101 1 17 "Average Difference" CB 81 1.120 -0.142 1.118 18916 102 1 17 "Average Difference" HN 75 0.560 -0.096 0.556 18916 103 1 18 "Average Difference" N 75 2.375 0.465 2.344 18916 104 1 18 "Average Difference" HA 89 0.359 0.095 0.348 18916 105 1 18 "Average Difference" C 76 1.143 0.243 1.124 18916 106 1 18 "Average Difference" CA 85 1.343 -0.227 1.332 18916 107 1 18 "Average Difference" CB 81 1.158 -0.263 1.135 18916 108 1 18 "Average Difference" HN 75 0.550 -0.081 0.548 18916 109 1 19 "Average Difference" N 75 2.218 0.548 2.164 18916 110 1 19 "Average Difference" HA 89 0.362 0.102 0.349 18916 111 1 19 "Average Difference" C 76 1.093 0.193 1.083 18916 112 1 19 "Average Difference" CA 85 1.212 -0.234 1.197 18916 113 1 19 "Average Difference" CB 81 1.199 -0.293 1.170 18916 114 1 19 "Average Difference" HN 75 0.538 -0.067 0.537 18916 115 1 20 "Average Difference" N 75 2.402 0.414 2.381 18916 116 1 20 "Average Difference" HA 89 0.337 0.109 0.321 18916 117 1 20 "Average Difference" C 76 1.109 0.176 1.102 18916 118 1 20 "Average Difference" CA 85 1.241 -0.287 1.215 18916 119 1 20 "Average Difference" CB 81 1.147 -0.311 1.110 18916 120 1 20 "Average Difference" HN 75 0.544 -0.088 0.540 18916 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 18916 _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 4 4 GLN HA H 4 3.782 3.782 4.444 -0.662 18916 2 1 . 1 1 4 4 GLN CA C 4 56.878 56.878 55.886 0.992 18916 3 1 . 1 1 4 4 GLN CB C 4 29.441 29.441 28.881 0.560 18916 4 1 . 1 1 7 7 LYS HA H 7 4.554 4.554 4.556 -0.002 18916 5 1 . 1 1 7 7 LYS C C 7 178.298 178.298 177.493 0.805 18916 6 1 . 1 1 7 7 LYS CA C 7 54.750 54.750 56.031 -1.281 18916 7 1 . 1 1 7 7 LYS CB C 7 32.593 32.593 31.700 0.893 18916 8 1 . 1 1 8 8 ILE N N 8 119.676 119.676 121.528 -1.852 18916 9 1 . 1 1 8 8 ILE HA H 8 3.584 3.584 3.593 -0.009 18916 10 1 . 1 1 8 8 ILE C C 8 177.164 177.164 176.345 0.819 18916 11 1 . 1 1 8 8 ILE CA C 8 65.912 65.912 64.324 1.587 18916 12 1 . 1 1 8 8 ILE CB C 8 38.974 38.974 37.761 1.213 18916 13 1 . 1 1 8 8 ILE H H 8 7.633 7.633 7.687 -0.054 18916 14 1 . 1 1 9 9 PHE N N 9 113.639 113.639 113.167 0.472 18916 15 1 . 1 1 9 9 PHE HA H 9 4.912 4.912 4.758 0.154 18916 16 1 . 1 1 9 9 PHE C C 9 174.520 174.520 176.388 -1.868 18916 17 1 . 1 1 9 9 PHE CA C 9 57.039 57.039 56.612 0.428 18916 18 1 . 1 1 9 9 PHE CB C 9 37.714 37.714 38.204 -0.490 18916 19 1 . 1 1 9 9 PHE H H 9 8.403 8.403 7.659 0.744 18916 20 1 . 1 1 10 10 LYS N N 10 120.104 120.104 122.415 -2.311 18916 21 1 . 1 1 10 10 LYS HA H 10 4.143 4.143 4.261 -0.118 18916 22 1 . 1 1 10 10 LYS C C 10 177.600 177.600 177.691 -0.091 18916 23 1 . 1 1 10 10 LYS CA C 10 58.508 58.508 58.925 -0.417 18916 24 1 . 1 1 10 10 LYS CB C 10 32.440 32.440 32.288 0.152 18916 25 1 . 1 1 10 10 LYS H H 10 7.328 7.328 7.654 -0.326 18916 26 1 . 1 1 11 11 ASN N N 11 116.960 116.960 114.511 2.449 18916 27 1 . 1 1 11 11 ASN HA H 11 4.545 4.545 4.778 -0.233 18916 28 1 . 1 1 11 11 ASN C C 11 175.566 175.566 174.989 0.578 18916 29 1 . 1 1 11 11 ASN CA C 11 55.479 55.479 53.287 2.192 18916 30 1 . 1 1 11 11 ASN CB C 11 37.528 37.528 38.676 -1.149 18916 31 1 . 1 1 11 11 ASN H H 11 8.984 8.984 8.692 0.292 18916 32 1 . 1 1 12 12 CYS N N 12 118.344 118.344 120.359 -2.014 18916 33 1 . 1 1 12 12 CYS HA H 12 5.126 5.126 4.718 0.408 18916 34 1 . 1 1 12 12 CYS C C 12 175.014 175.014 173.511 1.503 18916 35 1 . 1 1 12 12 CYS CA C 12 59.549 59.549 58.723 0.826 18916 36 1 . 1 1 12 12 CYS CB C 12 29.319 29.319 29.581 -0.262 18916 37 1 . 1 1 12 12 CYS H H 12 8.460 8.460 7.817 0.643 18916 38 1 . 1 1 13 13 VAL N N 13 128.765 128.765 126.278 2.487 18916 39 1 . 1 1 13 13 VAL HA H 13 4.389 4.389 4.551 -0.162 18916 40 1 . 1 1 13 13 VAL C C 13 174.912 174.912 174.801 0.111 18916 41 1 . 1 1 13 13 VAL CA C 13 62.294 62.294 61.884 0.410 18916 42 1 . 1 1 13 13 VAL CB C 13 33.468 33.468 32.799 0.669 18916 43 1 . 1 1 13 13 VAL H H 13 9.878 9.878 8.802 1.076 18916 44 1 . 1 1 14 14 ILE N N 14 128.270 128.270 127.306 0.964 18916 45 1 . 1 1 14 14 ILE HA H 14 5.200 5.200 5.067 0.133 18916 46 1 . 1 1 14 14 ILE C C 14 174.098 174.098 174.995 -0.897 18916 47 1 . 1 1 14 14 ILE CA C 14 60.304 60.304 59.736 0.569 18916 48 1 . 1 1 14 14 ILE CB C 14 41.544 41.544 40.568 0.976 18916 49 1 . 1 1 14 14 ILE H H 14 8.841 8.841 8.571 0.270 18916 50 1 . 1 1 15 15 TYR N N 15 125.475 125.475 128.950 -3.475 18916 51 1 . 1 1 15 15 TYR HA H 15 5.109 5.109 5.366 -0.257 18916 52 1 . 1 1 15 15 TYR C C 15 173.023 173.023 173.870 -0.847 18916 53 1 . 1 1 15 15 TYR CA C 15 55.886 55.886 55.539 0.347 18916 54 1 . 1 1 15 15 TYR CB C 15 42.813 42.813 41.531 1.282 18916 55 1 . 1 1 15 15 TYR H H 15 8.023 8.023 9.024 -1.001 18916 56 1 . 1 1 16 16 ILE N N 16 128.262 128.262 127.087 1.175 18916 57 1 . 1 1 16 16 ILE HA H 16 4.367 4.367 4.153 0.214 18916 58 1 . 1 1 16 16 ILE C C 16 173.895 173.895 173.981 -0.086 18916 59 1 . 1 1 16 16 ILE CA C 16 59.688 59.688 60.287 -0.599 18916 60 1 . 1 1 16 16 ILE CB C 16 36.912 36.912 38.973 -2.061 18916 61 1 . 1 1 16 16 ILE H H 16 8.708 8.708 8.331 0.377 18916 62 1 . 1 1 17 17 ASN N N 17 126.842 126.842 124.812 2.030 18916 63 1 . 1 1 17 17 ASN HA H 17 4.661 4.661 4.654 0.007 18916 64 1 . 1 1 17 17 ASN C C 17 174.171 174.171 174.658 -0.487 18916 65 1 . 1 1 17 17 ASN CA C 17 52.887 52.887 51.820 1.067 18916 66 1 . 1 1 17 17 ASN CB C 17 42.944 42.944 41.239 1.705 18916 67 1 . 1 1 17 17 ASN H H 17 8.974 8.974 8.370 0.604 18916 68 1 . 1 1 18 18 GLY N N 18 113.508 113.508 112.621 0.887 18916 69 1 . 1 1 18 18 GLY C C 18 172.529 172.529 173.392 -0.863 18916 70 1 . 1 1 18 18 GLY CA C 18 45.185 45.185 44.835 0.350 18916 71 1 . 1 1 18 18 GLY H H 18 8.727 8.727 8.246 0.481 18916 72 1 . 1 1 19 19 TYR N N 19 121.021 121.021 122.212 -1.191 18916 73 1 . 1 1 19 19 TYR HA H 19 4.450 4.450 4.599 -0.149 18916 74 1 . 1 1 19 19 TYR C C 19 176.147 176.147 175.248 0.899 18916 75 1 . 1 1 19 19 TYR CA C 19 58.982 58.982 57.773 1.209 18916 76 1 . 1 1 19 19 TYR CB C 19 38.701 38.701 38.712 -0.011 18916 77 1 . 1 1 19 19 TYR H H 19 8.651 8.651 8.435 0.216 18916 78 1 . 1 1 20 20 THR N N 20 117.677 117.677 115.033 2.644 18916 79 1 . 1 1 20 20 THR HA H 20 4.279 4.279 4.620 -0.341 18916 80 1 . 1 1 20 20 THR C C 20 171.803 171.803 173.451 -1.648 18916 81 1 . 1 1 20 20 THR CA C 20 59.986 59.986 60.345 -0.359 18916 82 1 . 1 1 20 20 THR CB C 20 73.362 73.362 71.097 2.265 18916 83 1 . 1 1 20 20 THR H H 20 7.242 7.242 8.267 -1.025 18916 84 1 . 1 1 21 21 LYS N N 21 120.592 120.592 124.036 -3.444 18916 85 1 . 1 1 21 21 LYS HA H 21 4.047 4.047 4.751 -0.704 18916 86 1 . 1 1 21 21 LYS CA C 21 54.030 54.030 52.673 1.357 18916 87 1 . 1 1 21 21 LYS CB C 21 34.826 34.826 32.546 2.280 18916 88 1 . 1 1 21 21 LYS H H 21 7.718 7.718 8.498 -0.780 18916 89 1 . 1 1 22 22 PRO HA H 22 4.590 4.590 4.475 0.115 18916 90 1 . 1 1 22 22 PRO C C 22 175.043 175.043 176.837 -1.794 18916 91 1 . 1 1 22 22 PRO CA C 22 62.948 62.948 62.360 0.588 18916 92 1 . 1 1 22 22 PRO CB C 22 34.540 34.540 32.648 1.892 18916 93 1 . 1 1 23 23 GLY N N 23 105.352 105.352 106.466 -1.114 18916 94 1 . 1 1 23 23 GLY C C 23 172.762 172.762 175.888 -3.126 18916 95 1 . 1 1 23 23 GLY CA C 23 44.880 44.880 44.652 0.228 18916 96 1 . 1 1 23 23 GLY H H 23 8.356 8.356 8.524 -0.168 18916 97 1 . 1 1 24 24 ARG N N 24 119.274 119.274 122.762 -3.488 18916 98 1 . 1 1 24 24 ARG HA H 24 3.275 3.275 3.654 -0.379 18916 99 1 . 1 1 24 24 ARG C C 24 176.263 176.263 178.121 -1.858 18916 100 1 . 1 1 24 24 ARG CA C 24 59.920 59.920 58.782 1.138 18916 101 1 . 1 1 24 24 ARG CB C 24 30.331 30.331 29.515 0.816 18916 102 1 . 1 1 24 24 ARG H H 24 7.813 7.813 8.706 -0.893 18916 103 1 . 1 1 25 25 LEU N N 25 116.403 116.403 115.917 0.486 18916 104 1 . 1 1 25 25 LEU HA H 25 3.690 3.690 4.274 -0.584 18916 105 1 . 1 1 25 25 LEU C C 25 179.562 179.562 178.804 0.758 18916 106 1 . 1 1 25 25 LEU CA C 25 58.391 58.391 57.392 0.999 18916 107 1 . 1 1 25 25 LEU CB C 25 40.844 40.844 40.812 0.032 18916 108 1 . 1 1 25 25 LEU H H 25 8.156 8.156 7.945 0.211 18916 109 1 . 1 1 26 26 GLN N N 26 118.294 118.294 119.071 -0.777 18916 110 1 . 1 1 26 26 GLN HA H 26 3.966 3.966 4.192 -0.226 18916 111 1 . 1 1 26 26 GLN C C 26 179.358 179.358 178.522 0.836 18916 112 1 . 1 1 26 26 GLN CA C 26 59.322 59.322 58.014 1.308 18916 113 1 . 1 1 26 26 GLN CB C 26 28.057 28.057 28.432 -0.375 18916 114 1 . 1 1 26 26 GLN H H 26 7.423 7.423 7.552 -0.129 18916 115 1 . 1 1 27 27 LEU N N 27 119.419 119.419 119.884 -0.465 18916 116 1 . 1 1 27 27 LEU HA H 27 3.928 3.928 3.722 0.206 18916 117 1 . 1 1 27 27 LEU C C 27 178.777 178.777 178.958 -0.181 18916 118 1 . 1 1 27 27 LEU CA C 27 58.024 58.024 58.241 -0.217 18916 119 1 . 1 1 27 27 LEU CB C 27 41.890 41.890 41.564 0.326 18916 120 1 . 1 1 27 27 LEU H H 27 8.127 8.127 7.936 0.191 18916 121 1 . 1 1 28 28 HIS N N 28 118.332 118.332 117.372 0.960 18916 122 1 . 1 1 28 28 HIS HA H 28 3.742 3.742 3.924 -0.182 18916 123 1 . 1 1 28 28 HIS C C 28 177.121 177.121 177.714 -0.593 18916 124 1 . 1 1 28 28 HIS CA C 28 57.798 57.798 59.524 -1.725 18916 125 1 . 1 1 28 28 HIS CB C 28 29.441 29.441 29.476 -0.035 18916 126 1 . 1 1 28 28 HIS H H 28 8.727 8.727 7.960 0.766 18916 127 1 . 1 1 29 29 GLU N N 29 116.699 116.699 119.583 -2.884 18916 128 1 . 1 1 29 29 GLU HA H 29 3.978 3.978 3.965 0.013 18916 129 1 . 1 1 29 29 GLU C C 29 178.951 178.951 178.965 -0.014 18916 130 1 . 1 1 29 29 GLU CA C 29 59.276 59.276 59.078 0.198 18916 131 1 . 1 1 29 29 GLU CB C 29 29.684 29.684 29.422 0.262 18916 132 1 . 1 1 29 29 GLU H H 29 7.518 7.518 7.754 -0.236 18916 133 1 . 1 1 30 30 MET N N 30 118.090 118.090 117.974 0.116 18916 134 1 . 1 1 30 30 MET HA H 30 4.055 4.055 4.212 -0.157 18916 135 1 . 1 1 30 30 MET C C 30 177.992 177.992 178.893 -0.901 18916 136 1 . 1 1 30 30 MET CA C 30 60.040 60.040 57.864 2.176 18916 137 1 . 1 1 30 30 MET CB C 30 34.522 34.522 31.939 2.583 18916 138 1 . 1 1 30 30 MET H H 30 7.766 7.766 7.908 -0.142 18916 139 1 . 1 1 31 31 ILE N N 31 118.458 118.458 119.437 -0.979 18916 140 1 . 1 1 31 31 ILE HA H 31 3.252 3.252 3.340 -0.088 18916 141 1 . 1 1 31 31 ILE C C 31 178.007 178.007 178.245 -0.238 18916 142 1 . 1 1 31 31 ILE CA C 31 64.891 64.891 65.159 -0.268 18916 143 1 . 1 1 31 31 ILE CB C 31 38.182 38.182 37.496 0.686 18916 144 1 . 1 1 31 31 ILE H H 31 8.337 8.337 7.820 0.517 18916 145 1 . 1 1 32 32 VAL N N 32 117.878 117.878 120.380 -2.502 18916 146 1 . 1 1 32 32 VAL HA H 32 4.003 4.003 4.120 -0.117 18916 147 1 . 1 1 32 32 VAL C C 32 180.884 180.884 178.963 1.921 18916 148 1 . 1 1 32 32 VAL CA C 32 65.376 65.376 65.983 -0.607 18916 149 1 . 1 1 32 32 VAL CB C 32 31.997 31.997 31.587 0.410 18916 150 1 . 1 1 32 32 VAL H H 32 7.888 7.888 7.787 0.101 18916 151 1 . 1 1 33 33 LEU N N 33 123.609 123.609 118.079 5.530 18916 152 1 . 1 1 33 33 LEU HA H 33 4.073 4.073 4.095 -0.022 18916 153 1 . 1 1 33 33 LEU C C 33 177.498 177.498 177.499 -0.001 18916 154 1 . 1 1 33 33 LEU CA C 33 57.662 57.662 56.857 0.805 18916 155 1 . 1 1 33 33 LEU CB C 33 42.290 42.290 40.669 1.621 18916 156 1 . 1 1 33 33 LEU H H 33 8.281 8.281 7.998 0.283 18916 157 1 . 1 1 34 34 HIS N N 34 113.272 113.272 115.123 -1.851 18916 158 1 . 1 1 34 34 HIS HA H 34 4.715 4.715 4.818 -0.103 18916 159 1 . 1 1 34 34 HIS C C 34 175.464 175.464 175.614 -0.150 18916 160 1 . 1 1 34 34 HIS CA C 34 56.396 56.396 55.441 0.955 18916 161 1 . 1 1 34 34 HIS CB C 34 29.768 29.768 29.616 0.152 18916 162 1 . 1 1 34 34 HIS H H 34 7.319 7.319 7.564 -0.245 18916 163 1 . 1 1 35 35 GLY N N 35 104.307 104.307 107.025 -2.718 18916 164 1 . 1 1 35 35 GLY C C 35 174.985 174.985 174.644 0.341 18916 165 1 . 1 1 35 35 GLY CA C 35 47.314 47.314 45.499 1.815 18916 166 1 . 1 1 35 35 GLY H H 35 7.392 7.392 8.037 -0.645 18916 167 1 . 1 1 36 36 GLY N N 36 108.630 108.630 107.934 0.696 18916 168 1 . 1 1 36 36 GLY C C 36 171.701 171.701 173.118 -1.417 18916 169 1 . 1 1 36 36 GLY CA C 36 44.392 44.392 43.996 0.396 18916 170 1 . 1 1 36 36 GLY H H 36 8.763 8.763 8.104 0.658 18916 171 1 . 1 1 37 37 LYS N N 37 115.119 115.119 120.720 -5.601 18916 172 1 . 1 1 37 37 LYS HA H 37 4.614 4.614 4.905 -0.291 18916 173 1 . 1 1 37 37 LYS C C 37 174.302 174.302 175.338 -1.036 18916 174 1 . 1 1 37 37 LYS CA C 37 54.319 54.319 54.316 0.003 18916 175 1 . 1 1 37 37 LYS CB C 37 37.250 37.250 36.095 1.155 18916 176 1 . 1 1 37 37 LYS H H 37 7.406 7.406 8.072 -0.666 18916 177 1 . 1 1 38 38 PHE N N 38 117.196 117.196 118.750 -1.554 18916 178 1 . 1 1 38 38 PHE HA H 38 5.888 5.888 5.547 0.341 18916 179 1 . 1 1 38 38 PHE C C 38 173.604 173.604 173.860 -0.256 18916 180 1 . 1 1 38 38 PHE CA C 38 54.852 54.852 55.312 -0.460 18916 181 1 . 1 1 38 38 PHE CB C 38 43.379 43.379 41.939 1.440 18916 182 1 . 1 1 38 38 PHE H H 38 7.844 7.844 8.110 -0.266 18916 183 1 . 1 1 39 39 LEU N N 39 119.576 119.576 122.030 -2.454 18916 184 1 . 1 1 39 39 LEU HA H 39 4.604 4.604 4.713 -0.109 18916 185 1 . 1 1 39 39 LEU CA C 39 52.661 52.661 53.466 -0.805 18916 186 1 . 1 1 39 39 LEU CB C 39 45.901 45.901 45.481 0.420 18916 187 1 . 1 1 39 39 LEU H H 39 8.223 8.223 8.555 -0.332 18916 188 1 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.566 0.073 18916 189 1 . 1 1 40 40 HIS C C 40 174.694 174.694 174.503 0.191 18916 190 1 . 1 1 40 40 HIS CA C 40 58.670 58.670 57.427 1.243 18916 191 1 . 1 1 40 40 HIS CB C 40 31.890 31.890 30.752 1.138 18916 192 1 . 1 1 41 41 TYR N N 41 115.005 115.005 116.926 -1.921 18916 193 1 . 1 1 41 41 TYR HA H 41 4.660 4.660 4.327 0.333 18916 194 1 . 1 1 41 41 TYR C C 41 173.023 173.023 173.412 -0.389 18916 195 1 . 1 1 41 41 TYR CA C 41 55.898 55.898 57.091 -1.193 18916 196 1 . 1 1 41 41 TYR CB C 41 40.313 40.313 40.122 0.191 18916 197 1 . 1 1 41 41 TYR H H 41 7.363 7.363 7.512 -0.149 18916 198 1 . 1 1 42 42 LEU N N 42 121.687 121.687 124.433 -2.746 18916 199 1 . 1 1 42 42 LEU HA H 42 3.888 3.888 4.372 -0.484 18916 200 1 . 1 1 42 42 LEU CA C 42 54.041 54.041 54.036 0.005 18916 201 1 . 1 1 42 42 LEU CB C 42 41.096 41.096 42.318 -1.222 18916 202 1 . 1 1 42 42 LEU H H 42 8.252 8.252 7.611 0.641 18916 203 1 . 1 1 46 46 LYS HA H 46 4.234 4.234 4.597 -0.363 18916 204 1 . 1 1 46 46 LYS CA C 46 56.885 56.885 56.698 0.187 18916 205 1 . 1 1 46 46 LYS CB C 46 32.542 32.542 30.944 1.598 18916 206 1 . 1 1 47 47 THR HA H 47 4.168 4.168 4.286 -0.118 18916 207 1 . 1 1 47 47 THR C C 47 174.186 174.186 174.008 0.178 18916 208 1 . 1 1 47 47 THR CA C 47 62.706 62.706 62.971 -0.265 18916 209 1 . 1 1 47 47 THR CB C 47 69.762 69.762 69.484 0.278 18916 210 1 . 1 1 48 48 VAL N N 48 123.218 123.218 120.018 3.200 18916 211 1 . 1 1 48 48 VAL HA H 48 3.843 3.843 4.298 -0.455 18916 212 1 . 1 1 48 48 VAL C C 48 174.985 174.985 174.996 -0.011 18916 213 1 . 1 1 48 48 VAL CA C 48 62.146 62.146 60.874 1.272 18916 214 1 . 1 1 48 48 VAL CB C 48 33.167 33.167 34.041 -0.874 18916 215 1 . 1 1 48 48 VAL H H 48 7.771 7.771 7.411 0.360 18916 216 1 . 1 1 49 49 THR N N 49 116.982 116.982 117.773 -0.791 18916 217 1 . 1 1 49 49 THR HA H 49 4.319 4.319 4.481 -0.162 18916 218 1 . 1 1 49 49 THR C C 49 176.118 176.118 173.967 2.151 18916 219 1 . 1 1 49 49 THR CA C 49 62.831 62.831 61.734 1.097 18916 220 1 . 1 1 49 49 THR CB C 49 69.114 69.114 70.060 -0.946 18916 221 1 . 1 1 49 49 THR H H 49 9.798 9.798 8.307 1.491 18916 222 1 . 1 1 50 50 HIS N N 50 121.799 121.799 119.748 2.051 18916 223 1 . 1 1 50 50 HIS HA H 50 4.916 4.916 5.253 -0.337 18916 224 1 . 1 1 50 50 HIS C C 50 172.849 172.849 173.339 -0.490 18916 225 1 . 1 1 50 50 HIS CA C 50 56.654 56.654 54.799 1.855 18916 226 1 . 1 1 50 50 HIS CB C 50 34.649 34.649 33.098 1.551 18916 227 1 . 1 1 50 50 HIS H H 50 7.596 7.596 8.004 -0.408 18916 228 1 . 1 1 51 51 ILE N N 51 123.013 123.013 123.983 -0.970 18916 229 1 . 1 1 51 51 ILE HA H 51 4.980 4.980 4.869 0.111 18916 230 1 . 1 1 51 51 ILE C C 51 174.505 174.505 174.731 -0.226 18916 231 1 . 1 1 51 51 ILE CA C 51 58.967 58.967 60.064 -1.097 18916 232 1 . 1 1 51 51 ILE CB C 51 39.153 39.153 40.875 -1.722 18916 233 1 . 1 1 51 51 ILE H H 51 8.996 8.996 8.269 0.727 18916 234 1 . 1 1 52 52 VAL N N 52 127.413 127.413 127.004 0.409 18916 235 1 . 1 1 52 52 VAL HA H 52 5.302 5.302 4.826 0.476 18916 236 1 . 1 1 52 52 VAL C C 52 174.084 174.084 174.414 -0.330 18916 237 1 . 1 1 52 52 VAL CA C 52 59.207 59.207 61.047 -1.840 18916 238 1 . 1 1 52 52 VAL CB C 52 33.259 33.259 32.674 0.585 18916 239 1 . 1 1 52 52 VAL H H 52 8.821 8.821 8.502 0.319 18916 240 1 . 1 1 53 53 ALA N N 53 127.601 127.601 129.446 -1.845 18916 241 1 . 1 1 53 53 ALA HA H 53 4.622 4.622 5.229 -0.607 18916 242 1 . 1 1 53 53 ALA C C 53 174.680 174.680 176.187 -1.507 18916 243 1 . 1 1 53 53 ALA CA C 53 50.910 50.910 50.703 0.207 18916 244 1 . 1 1 53 53 ALA CB C 53 23.160 23.160 22.827 0.334 18916 245 1 . 1 1 53 53 ALA H H 53 8.967 8.967 8.566 0.401 18916 246 1 . 1 1 54 54 SER N N 54 113.005 113.005 116.648 -3.643 18916 247 1 . 1 1 54 54 SER HA H 54 4.657 4.657 4.451 0.206 18916 248 1 . 1 1 54 54 SER C C 54 174.229 174.229 174.464 -0.235 18916 249 1 . 1 1 54 54 SER CA C 54 59.671 59.671 59.718 -0.047 18916 250 1 . 1 1 54 54 SER CB C 54 64.852 64.852 63.872 0.980 18916 251 1 . 1 1 54 54 SER H H 54 9.303 9.303 8.760 0.543 18916 252 1 . 1 1 55 55 ASN N N 55 117.475 117.475 118.922 -1.447 18916 253 1 . 1 1 55 55 ASN HA H 55 4.601 4.601 4.907 -0.306 18916 254 1 . 1 1 55 55 ASN C C 55 173.052 173.052 173.307 -0.255 18916 255 1 . 1 1 55 55 ASN CA C 55 53.125 53.125 52.883 0.242 18916 256 1 . 1 1 55 55 ASN CB C 55 40.610 40.610 40.007 0.603 18916 257 1 . 1 1 55 55 ASN H H 55 7.917 7.917 8.266 -0.349 18916 258 1 . 1 1 56 56 LEU N N 56 122.146 122.146 125.441 -3.295 18916 259 1 . 1 1 56 56 LEU HA H 56 4.800 4.800 4.843 -0.043 18916 260 1 . 1 1 56 56 LEU CA C 56 51.905 51.905 51.671 0.234 18916 261 1 . 1 1 56 56 LEU CB C 56 44.592 44.592 44.108 0.484 18916 262 1 . 1 1 56 56 LEU H H 56 8.792 8.792 8.454 0.338 18916 263 1 . 1 1 57 57 PRO HA H 57 4.565 4.565 4.601 -0.036 18916 264 1 . 1 1 57 57 PRO CA C 57 62.190 62.190 62.758 -0.568 18916 265 1 . 1 1 57 57 PRO CB C 57 32.499 32.499 32.670 -0.171 18916 266 1 . 1 1 58 58 LEU HA H 58 3.920 3.920 3.946 -0.026 18916 267 1 . 1 1 58 58 LEU C C 58 178.806 178.806 178.787 0.019 18916 268 1 . 1 1 58 58 LEU CA C 58 59.172 59.172 58.698 0.474 18916 269 1 . 1 1 58 58 LEU CB C 58 41.589 41.589 41.605 -0.016 18916 270 1 . 1 1 59 59 LYS N N 59 115.039 115.039 118.949 -3.910 18916 271 1 . 1 1 59 59 LYS HA H 59 3.972 3.972 4.027 -0.055 18916 272 1 . 1 1 59 59 LYS C C 59 179.053 179.053 178.740 0.313 18916 273 1 . 1 1 59 59 LYS CA C 59 59.524 59.524 58.956 0.568 18916 274 1 . 1 1 59 59 LYS CB C 59 32.411 32.411 31.502 0.909 18916 275 1 . 1 1 59 59 LYS H H 59 8.763 8.763 8.423 0.340 18916 276 1 . 1 1 60 60 LYS N N 60 116.433 116.433 118.719 -2.286 18916 277 1 . 1 1 60 60 LYS HA H 60 3.960 3.960 3.933 0.027 18916 278 1 . 1 1 60 60 LYS C C 60 176.874 176.874 179.238 -2.364 18916 279 1 . 1 1 60 60 LYS CA C 60 55.721 55.721 58.068 -2.348 18916 280 1 . 1 1 60 60 LYS CB C 60 31.933 31.933 31.886 0.047 18916 281 1 . 1 1 60 60 LYS H H 60 7.158 7.158 7.799 -0.641 18916 282 1 . 1 1 61 61 ARG N N 61 120.369 120.369 119.666 0.703 18916 283 1 . 1 1 61 61 ARG HA H 61 3.824 3.824 4.172 -0.348 18916 284 1 . 1 1 61 61 ARG C C 61 179.213 179.213 178.138 1.075 18916 285 1 . 1 1 61 61 ARG CA C 61 59.814 59.814 59.311 0.503 18916 286 1 . 1 1 61 61 ARG CB C 61 29.870 29.870 30.115 -0.245 18916 287 1 . 1 1 61 61 ARG H H 61 7.902 7.902 7.877 0.025 18916 288 1 . 1 1 62 62 ILE N N 62 117.956 117.956 118.253 -0.297 18916 289 1 . 1 1 62 62 ILE HA H 62 3.808 3.808 3.784 0.024 18916 290 1 . 1 1 62 62 ILE C C 62 178.966 178.966 178.570 0.396 18916 291 1 . 1 1 62 62 ILE CA C 62 64.162 64.162 64.561 -0.399 18916 292 1 . 1 1 62 62 ILE CB C 62 38.019 38.019 37.884 0.135 18916 293 1 . 1 1 62 62 ILE H H 62 7.727 7.727 7.601 0.126 18916 294 1 . 1 1 63 63 GLU N N 63 121.877 121.877 120.841 1.036 18916 295 1 . 1 1 63 63 GLU HA H 63 3.950 3.950 4.036 -0.086 18916 296 1 . 1 1 63 63 GLU C C 63 178.792 178.792 178.070 0.722 18916 297 1 . 1 1 63 63 GLU CA C 63 59.302 59.302 58.859 0.443 18916 298 1 . 1 1 63 63 GLU CB C 63 29.822 29.822 29.500 0.322 18916 299 1 . 1 1 63 63 GLU H H 63 7.713 7.713 7.865 -0.152 18916 300 1 . 1 1 64 64 PHE N N 64 115.684 115.684 116.537 -0.853 18916 301 1 . 1 1 64 64 PHE HA H 64 5.078 5.078 4.946 0.132 18916 302 1 . 1 1 64 64 PHE C C 64 175.886 175.886 175.509 0.377 18916 303 1 . 1 1 64 64 PHE CA C 64 53.859 53.859 55.376 -1.517 18916 304 1 . 1 1 64 64 PHE CB C 64 37.431 37.431 37.973 -0.542 18916 305 1 . 1 1 64 64 PHE H H 64 8.077 8.077 7.872 0.204 18916 306 1 . 1 1 65 65 ALA N N 65 122.616 122.616 123.405 -0.789 18916 307 1 . 1 1 65 65 ALA HA H 65 4.164 4.164 4.228 -0.064 18916 308 1 . 1 1 65 65 ALA C C 65 178.356 178.356 178.208 0.148 18916 309 1 . 1 1 65 65 ALA CA C 65 55.421 55.421 54.434 0.987 18916 310 1 . 1 1 65 65 ALA CB C 65 19.243 19.243 18.893 0.350 18916 311 1 . 1 1 65 65 ALA H H 65 7.290 7.290 7.262 0.028 18916 312 1 . 1 1 66 66 ASN N N 66 112.567 112.567 114.788 -2.221 18916 313 1 . 1 1 66 66 ASN HA H 66 4.605 4.605 4.511 0.094 18916 314 1 . 1 1 66 66 ASN C C 66 174.374 174.374 175.020 -0.646 18916 315 1 . 1 1 66 66 ASN CA C 66 53.354 53.354 54.441 -1.087 18916 316 1 . 1 1 66 66 ASN CB C 66 37.919 37.919 38.670 -0.751 18916 317 1 . 1 1 66 66 ASN H H 66 8.602 8.602 8.405 0.197 18916 318 1 . 1 1 67 67 TYR N N 67 118.682 118.682 118.065 0.617 18916 319 1 . 1 1 67 67 TYR HA H 67 4.528 4.528 4.440 0.088 18916 320 1 . 1 1 67 67 TYR C C 67 175.072 175.072 175.681 -0.609 18916 321 1 . 1 1 67 67 TYR CA C 67 56.641 56.641 57.147 -0.506 18916 322 1 . 1 1 67 67 TYR CB C 67 40.822 40.822 39.486 1.336 18916 323 1 . 1 1 67 67 TYR H H 67 7.873 7.873 7.461 0.412 18916 324 1 . 1 1 68 68 LYS N N 68 121.419 121.419 123.702 -2.283 18916 325 1 . 1 1 68 68 LYS HA H 68 3.800 3.800 4.340 -0.540 18916 326 1 . 1 1 68 68 LYS C C 68 174.491 174.491 175.815 -1.324 18916 327 1 . 1 1 68 68 LYS CA C 68 56.246 56.246 55.076 1.170 18916 328 1 . 1 1 68 68 LYS CB C 68 32.664 32.664 30.458 2.206 18916 329 1 . 1 1 68 68 LYS H H 68 7.771 7.771 8.386 -0.615 18916 330 1 . 1 1 69 69 VAL N N 69 126.113 126.113 123.937 2.176 18916 331 1 . 1 1 69 69 VAL HA H 69 5.182 5.182 4.841 0.341 18916 332 1 . 1 1 69 69 VAL C C 69 176.365 176.365 175.762 0.603 18916 333 1 . 1 1 69 69 VAL CA C 69 60.879 60.879 62.042 -1.163 18916 334 1 . 1 1 69 69 VAL CB C 69 32.355 32.355 32.010 0.345 18916 335 1 . 1 1 69 69 VAL H H 69 8.384 8.384 8.007 0.377 18916 336 1 . 1 1 70 70 VAL N N 70 120.358 120.358 120.832 -0.474 18916 337 1 . 1 1 70 70 VAL HA H 70 5.377 5.377 5.130 0.247 18916 338 1 . 1 1 70 70 VAL C C 70 174.040 174.040 175.044 -1.004 18916 339 1 . 1 1 70 70 VAL CA C 70 57.849 57.849 58.949 -1.100 18916 340 1 . 1 1 70 70 VAL CB C 70 36.753 36.753 35.814 0.939 18916 341 1 . 1 1 70 70 VAL H H 70 9.390 9.390 8.969 0.421 18916 342 1 . 1 1 71 71 SER N N 71 114.634 114.634 115.983 -1.349 18916 343 1 . 1 1 71 71 SER HA H 71 5.630 5.630 5.524 0.106 18916 344 1 . 1 1 71 71 SER CA C 71 60.584 60.584 55.646 4.938 18916 345 1 . 1 1 71 71 SER CB C 71 60.367 60.367 62.847 -2.479 18916 346 1 . 1 1 71 71 SER H H 71 8.354 8.354 8.215 0.139 18916 347 1 . 1 1 72 72 PRO HA H 72 4.136 4.136 4.302 -0.166 18916 348 1 . 1 1 72 72 PRO C C 72 177.193 177.193 177.726 -0.533 18916 349 1 . 1 1 72 72 PRO CA C 72 65.062 65.062 65.420 -0.359 18916 350 1 . 1 1 72 72 PRO CB C 72 32.339 32.339 31.763 0.576 18916 351 1 . 1 1 73 73 ASP N N 73 115.868 115.868 118.177 -2.309 18916 352 1 . 1 1 73 73 ASP HA H 73 4.202 4.202 4.317 -0.115 18916 353 1 . 1 1 73 73 ASP C C 73 175.450 175.450 177.752 -2.302 18916 354 1 . 1 1 73 73 ASP CA C 73 56.426 56.426 58.200 -1.774 18916 355 1 . 1 1 73 73 ASP CB C 73 39.355 39.355 39.930 -0.575 18916 356 1 . 1 1 73 73 ASP H H 73 8.427 8.427 8.483 -0.056 18916 357 1 . 1 1 74 74 TRP N N 74 121.252 121.252 121.611 -0.359 18916 358 1 . 1 1 74 74 TRP HA H 74 2.618 2.618 3.418 -0.800 18916 359 1 . 1 1 74 74 TRP C C 74 178.472 178.472 177.368 1.104 18916 360 1 . 1 1 74 74 TRP CA C 74 61.015 61.015 61.468 -0.453 18916 361 1 . 1 1 74 74 TRP CB C 74 28.730 28.730 29.249 -0.519 18916 362 1 . 1 1 74 74 TRP H H 74 7.833 7.833 7.532 0.301 18916 363 1 . 1 1 75 75 ILE N N 75 116.185 116.185 119.048 -2.863 18916 364 1 . 1 1 75 75 ILE HA H 75 3.244 3.244 3.541 -0.297 18916 365 1 . 1 1 75 75 ILE C C 75 176.728 176.728 177.943 -1.215 18916 366 1 . 1 1 75 75 ILE CA C 75 62.895 62.895 64.352 -1.457 18916 367 1 . 1 1 75 75 ILE CB C 75 37.221 37.221 37.522 -0.301 18916 368 1 . 1 1 75 75 ILE H H 75 6.969 6.969 7.377 -0.408 18916 369 1 . 1 1 76 76 VAL N N 76 117.042 117.042 120.180 -3.138 18916 370 1 . 1 1 76 76 VAL HA H 76 3.196 3.196 3.436 -0.240 18916 371 1 . 1 1 76 76 VAL C C 76 178.675 178.675 177.986 0.689 18916 372 1 . 1 1 76 76 VAL CA C 76 66.945 66.945 67.094 -0.149 18916 373 1 . 1 1 76 76 VAL CB C 76 32.645 32.645 31.280 1.365 18916 374 1 . 1 1 76 76 VAL H H 76 7.056 7.056 7.889 -0.833 18916 375 1 . 1 1 77 77 ASP N N 77 120.009 120.009 118.590 1.419 18916 376 1 . 1 1 77 77 ASP HA H 77 4.304 4.304 4.370 -0.066 18916 377 1 . 1 1 77 77 ASP C C 77 178.515 178.515 178.315 0.200 18916 378 1 . 1 1 77 77 ASP CA C 77 56.998 56.998 57.212 -0.214 18916 379 1 . 1 1 77 77 ASP CB C 77 38.850 38.850 40.808 -1.958 18916 380 1 . 1 1 77 77 ASP H H 77 9.171 9.171 7.941 1.230 18916 381 1 . 1 1 78 78 SER N N 78 117.973 117.973 116.157 1.816 18916 382 1 . 1 1 78 78 SER HA H 78 4.391 4.391 4.136 0.255 18916 383 1 . 1 1 78 78 SER C C 78 175.290 175.290 176.333 -1.043 18916 384 1 . 1 1 78 78 SER CA C 78 62.948 62.948 61.778 1.170 18916 385 1 . 1 1 78 78 SER CB C 78 63.080 63.080 62.946 0.134 18916 386 1 . 1 1 78 78 SER H H 78 7.056 7.056 7.613 -0.557 18916 387 1 . 1 1 79 79 VAL N N 79 119.889 119.889 121.496 -1.607 18916 388 1 . 1 1 79 79 VAL HA H 79 2.908 2.908 3.439 -0.531 18916 389 1 . 1 1 79 79 VAL C C 79 179.169 179.169 177.610 1.559 18916 390 1 . 1 1 79 79 VAL CA C 79 66.864 66.864 65.772 1.092 18916 391 1 . 1 1 79 79 VAL CB C 79 30.830 30.830 31.382 -0.552 18916 392 1 . 1 1 79 79 VAL H H 79 7.596 7.596 7.652 -0.056 18916 393 1 . 1 1 80 80 LYS N N 80 121.062 121.062 118.892 2.170 18916 394 1 . 1 1 80 80 LYS HA H 80 3.890 3.890 4.056 -0.166 18916 395 1 . 1 1 80 80 LYS C C 80 178.806 178.806 178.341 0.465 18916 396 1 . 1 1 80 80 LYS CA C 80 59.779 59.779 58.757 1.022 18916 397 1 . 1 1 80 80 LYS CB C 80 32.331 32.331 32.481 -0.150 18916 398 1 . 1 1 80 80 LYS H H 80 7.946 7.946 7.566 0.380 18916 399 1 . 1 1 81 81 GLU N N 81 115.870 115.870 116.096 -0.226 18916 400 1 . 1 1 81 81 GLU HA H 81 4.128 4.128 4.356 -0.228 18916 401 1 . 1 1 81 81 GLU C C 81 174.912 174.912 176.283 -1.371 18916 402 1 . 1 1 81 81 GLU CA C 81 56.470 56.470 55.804 0.666 18916 403 1 . 1 1 81 81 GLU CB C 81 29.613 29.613 29.887 -0.274 18916 404 1 . 1 1 81 81 GLU H H 81 8.063 8.063 7.853 0.210 18916 405 1 . 1 1 82 82 ALA N N 82 122.380 122.380 120.714 1.666 18916 406 1 . 1 1 82 82 ALA HA H 82 3.708 3.708 3.945 -0.237 18916 407 1 . 1 1 82 82 ALA C C 82 175.711 175.711 176.028 -0.317 18916 408 1 . 1 1 82 82 ALA CA C 82 52.461 52.461 53.283 -0.822 18916 409 1 . 1 1 82 82 ALA CB C 82 16.581 16.581 17.226 -0.645 18916 410 1 . 1 1 82 82 ALA H H 82 7.931 7.931 7.773 0.158 18916 411 1 . 1 1 83 83 ARG N N 83 115.619 115.619 114.982 0.637 18916 412 1 . 1 1 83 83 ARG HA H 83 4.190 4.190 4.614 -0.424 18916 413 1 . 1 1 83 83 ARG C C 83 172.050 172.050 173.709 -1.659 18916 414 1 . 1 1 83 83 ARG CA C 83 55.162 55.162 53.882 1.280 18916 415 1 . 1 1 83 83 ARG CB C 83 32.355 32.355 32.600 -0.245 18916 416 1 . 1 1 83 83 ARG H H 83 8.165 8.165 7.670 0.495 18916 417 1 . 1 1 84 84 LEU N N 84 120.648 120.648 122.763 -2.115 18916 418 1 . 1 1 84 84 LEU HA H 84 3.716 3.716 4.305 -0.589 18916 419 1 . 1 1 84 84 LEU C C 84 176.917 176.917 175.600 1.317 18916 420 1 . 1 1 84 84 LEU CA C 84 54.985 54.985 54.080 0.905 18916 421 1 . 1 1 84 84 LEU CB C 84 41.311 41.311 42.036 -0.725 18916 422 1 . 1 1 84 84 LEU H H 84 8.325 8.325 8.382 -0.057 18916 423 1 . 1 1 85 85 LEU N N 85 132.955 132.955 129.235 3.720 18916 424 1 . 1 1 85 85 LEU HA H 85 4.597 4.597 4.915 -0.318 18916 425 1 . 1 1 85 85 LEU CA C 85 53.648 53.648 51.705 1.943 18916 426 1 . 1 1 85 85 LEU CB C 85 40.363 40.363 42.844 -2.481 18916 427 1 . 1 1 85 85 LEU H H 85 7.946 7.946 8.206 -0.260 18916 428 1 . 1 1 86 86 PRO HA H 86 4.585 4.585 4.389 0.196 18916 429 1 . 1 1 86 86 PRO C C 86 178.835 178.835 177.838 0.997 18916 430 1 . 1 1 86 86 PRO CA C 86 63.775 63.775 63.100 0.675 18916 431 1 . 1 1 86 86 PRO CB C 86 31.549 31.549 31.224 0.325 18916 432 1 . 1 1 87 87 TRP N N 87 128.323 128.323 126.358 1.965 18916 433 1 . 1 1 87 87 TRP HA H 87 3.635 3.635 3.799 -0.164 18916 434 1 . 1 1 87 87 TRP C C 87 177.963 177.963 177.109 0.854 18916 435 1 . 1 1 87 87 TRP CA C 87 59.553 59.553 59.243 0.310 18916 436 1 . 1 1 87 87 TRP CB C 87 26.961 26.961 27.502 -0.541 18916 437 1 . 1 1 87 87 TRP H H 87 8.369 8.369 8.341 0.028 18916 438 1 . 1 1 88 88 GLN N N 88 120.928 120.928 118.378 2.550 18916 439 1 . 1 1 88 88 GLN HA H 88 2.905 2.905 3.670 -0.765 18916 440 1 . 1 1 88 88 GLN C C 88 178.196 178.196 177.240 0.956 18916 441 1 . 1 1 88 88 GLN CA C 88 59.922 59.922 57.858 2.064 18916 442 1 . 1 1 88 88 GLN CB C 88 26.460 26.460 27.351 -0.891 18916 443 1 . 1 1 88 88 GLN H H 88 8.354 8.354 7.792 0.562 18916 444 1 . 1 1 89 89 ASN N N 89 116.452 116.452 117.602 -1.150 18916 445 1 . 1 1 89 89 ASN HA H 89 4.299 4.299 4.428 -0.129 18916 446 1 . 1 1 89 89 ASN C C 89 174.752 174.752 175.882 -1.130 18916 447 1 . 1 1 89 89 ASN CA C 89 54.131 54.131 54.717 -0.586 18916 448 1 . 1 1 89 89 ASN CB C 89 37.361 37.361 38.553 -1.192 18916 449 1 . 1 1 89 89 ASN H H 89 7.304 7.304 7.638 -0.334 18916 450 1 . 1 1 90 90 TYR N N 90 118.336 118.336 115.712 2.624 18916 451 1 . 1 1 90 90 TYR HA H 90 4.614 4.614 4.612 0.002 18916 452 1 . 1 1 90 90 TYR C C 90 174.534 174.534 175.070 -0.536 18916 453 1 . 1 1 90 90 TYR CA C 90 57.534 57.534 57.093 0.441 18916 454 1 . 1 1 90 90 TYR CB C 90 40.153 40.153 38.879 1.274 18916 455 1 . 1 1 90 90 TYR H H 90 8.048 8.048 7.574 0.474 18916 456 1 . 1 1 91 91 SER N N 91 114.053 114.053 116.745 -2.691 18916 457 1 . 1 1 91 91 SER HA H 91 5.015 5.015 4.718 0.297 18916 458 1 . 1 1 91 91 SER C C 91 176.205 176.205 175.209 0.996 18916 459 1 . 1 1 91 91 SER CA C 91 58.037 58.037 58.686 -0.649 18916 460 1 . 1 1 91 91 SER CB C 91 64.342 64.342 62.985 1.357 18916 461 1 . 1 1 91 91 SER H H 91 7.012 7.012 7.549 -0.537 18916 462 1 . 1 1 92 92 LEU N N 92 126.106 126.106 127.477 -1.371 18916 463 1 . 1 1 92 92 LEU HA H 92 4.605 4.605 4.454 0.151 18916 464 1 . 1 1 92 92 LEU C C 92 177.687 177.687 177.971 -0.284 18916 465 1 . 1 1 92 92 LEU CA C 92 55.405 55.405 55.389 0.016 18916 466 1 . 1 1 92 92 LEU CB C 92 42.887 42.887 41.560 1.327 18916 467 1 . 1 1 92 92 LEU H H 92 8.777 8.777 8.467 0.310 18916 468 1 . 1 1 93 93 THR N N 93 112.458 112.458 112.018 0.440 18916 469 1 . 1 1 93 93 THR HA H 93 4.489 4.489 4.177 0.312 18916 470 1 . 1 1 93 93 THR C C 93 173.851 173.851 175.050 -1.199 18916 471 1 . 1 1 93 93 THR CA C 93 61.318 61.318 64.036 -2.718 18916 472 1 . 1 1 93 93 THR CB C 93 69.853 69.853 69.081 0.772 18916 473 1 . 1 1 93 93 THR H H 93 8.252 8.252 7.737 0.515 18916 stop_ save_