data_18808 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18808 _Entry.PDB_ID 2M0G 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 18808 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 THR N N 3 118.281 118.281 110.073 8.208 18808 2 1 1 . 1 1 3 3 THR HA H 3 4.220 4.220 4.676 -0.456 18808 3 1 1 . 1 1 3 3 THR CA C 3 61.481 61.481 62.227 -0.746 18808 4 1 1 . 1 1 3 3 THR CB C 3 69.427 69.427 69.683 -0.256 18808 5 1 1 . 1 1 3 3 THR H H 3 8.283 8.283 8.378 -0.095 18808 6 1 1 . 1 1 4 4 GLY N N 4 111.418 111.418 110.440 0.978 18808 7 1 1 . 1 1 4 4 GLY CA C 4 44.811 44.811 44.442 0.369 18808 8 1 1 . 1 1 4 4 GLY H H 4 8.445 8.445 8.059 0.386 18808 9 1 1 . 1 1 5 5 ALA N N 5 123.764 123.764 121.775 1.989 18808 10 1 1 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.575 -0.251 18808 11 1 1 . 1 1 5 5 ALA CA C 5 52.237 52.237 51.686 0.551 18808 12 1 1 . 1 1 5 5 ALA CB C 5 18.688 18.688 20.811 -2.123 18808 13 1 1 . 1 1 5 5 ALA H H 5 8.229 8.229 8.194 0.035 18808 14 1 1 . 1 1 6 6 ASN N N 6 117.534 117.534 120.828 -3.294 18808 15 1 1 . 1 1 6 6 ASN HA H 6 4.672 4.672 4.724 -0.052 18808 16 1 1 . 1 1 6 6 ASN CA C 6 52.760 52.760 53.004 -0.244 18808 17 1 1 . 1 1 6 6 ASN CB C 6 38.294 38.294 38.680 -0.386 18808 18 1 1 . 1 1 6 6 ASN H H 6 8.426 8.426 8.910 -0.484 18808 19 1 1 . 1 1 7 7 ALA N N 7 124.230 124.230 121.076 3.154 18808 20 1 1 . 1 1 7 7 ALA HA H 7 4.375 4.375 4.095 0.280 18808 21 1 1 . 1 1 7 7 ALA CA C 7 52.033 52.033 53.435 -1.402 18808 22 1 1 . 1 1 7 7 ALA CB C 7 18.611 18.611 17.076 1.535 18808 23 1 1 . 1 1 7 7 ALA H H 7 8.171 8.171 8.573 -0.402 18808 24 1 1 . 1 1 8 8 THR N N 8 116.291 116.291 113.006 3.285 18808 25 1 1 . 1 1 8 8 THR HA H 8 4.613 4.613 4.565 0.048 18808 26 1 1 . 1 1 8 8 THR CA C 8 59.445 59.445 59.507 -0.062 18808 27 1 1 . 1 1 8 8 THR CB C 8 69.200 69.200 70.034 -0.834 18808 28 1 1 . 1 1 8 8 THR H H 8 8.211 8.211 8.107 0.104 18808 29 1 1 . 1 1 9 9 PRO CA C 9 62.885 62.885 62.709 0.176 18808 30 1 1 . 1 1 9 9 PRO CB C 9 31.241 31.241 32.145 -0.905 18808 31 1 1 . 1 1 10 10 LEU N N 10 121.874 121.874 125.186 -3.312 18808 32 1 1 . 1 1 10 10 LEU HA H 10 4.257 4.257 4.177 0.080 18808 33 1 1 . 1 1 10 10 LEU CA C 10 54.751 54.751 55.403 -0.652 18808 34 1 1 . 1 1 10 10 LEU H H 10 8.245 8.245 8.288 -0.043 18808 35 1 1 . 1 1 11 11 ASP N N 11 120.266 120.266 124.055 -3.789 18808 36 1 1 . 1 1 11 11 ASP CA C 11 53.652 53.652 53.857 -0.205 18808 37 1 1 . 1 1 11 11 ASP CB C 11 40.760 40.760 42.218 -1.458 18808 38 1 1 . 1 1 11 11 ASP H H 11 8.091 8.091 8.185 -0.094 18808 39 1 1 . 1 1 12 12 PHE N N 12 121.243 121.243 123.410 -2.167 18808 40 1 1 . 1 1 12 12 PHE CA C 12 55.502 55.502 56.077 -0.575 18808 41 1 1 . 1 1 12 12 PHE CB C 12 38.370 38.370 39.539 -1.169 18808 42 1 1 . 1 1 12 12 PHE H H 12 8.058 8.058 8.276 -0.218 18808 43 1 1 . 1 1 13 13 PRO CA C 13 63.035 63.035 63.386 -0.351 18808 44 1 1 . 1 1 13 13 PRO CB C 13 31.024 31.024 32.000 -0.976 18808 45 1 1 . 1 1 14 14 SER N N 14 115.993 115.993 118.944 -2.951 18808 46 1 1 . 1 1 14 14 SER CA C 14 58.010 58.010 57.248 0.762 18808 47 1 1 . 1 1 14 14 SER CB C 14 63.227 63.227 64.299 -1.071 18808 48 1 1 . 1 1 14 14 SER H H 14 8.301 8.301 8.278 0.023 18808 49 1 1 . 1 1 15 15 LYS N N 15 123.610 123.610 120.662 2.948 18808 50 1 1 . 1 1 15 15 LYS CA C 15 55.871 55.871 57.409 -1.538 18808 51 1 1 . 1 1 15 15 LYS CB C 15 32.035 32.035 30.924 1.111 18808 52 1 1 . 1 1 15 15 LYS H H 15 8.319 8.319 8.580 -0.261 18808 53 1 1 . 1 1 18 18 LYS CB C 18 32.178 32.178 33.833 -1.655 18808 54 1 1 . 1 1 19 19 ARG N N 19 121.722 121.722 121.919 -0.197 18808 55 1 1 . 1 1 19 19 ARG CA C 19 55.272 55.272 55.472 -0.200 18808 56 1 1 . 1 1 19 19 ARG CB C 19 30.231 30.231 31.691 -1.460 18808 57 1 1 . 1 1 19 19 ARG H H 19 8.327 8.327 8.120 0.207 18808 58 1 1 . 1 1 20 20 SER N N 20 116.915 116.915 120.234 -3.319 18808 59 1 1 . 1 1 20 20 SER CA C 20 56.632 56.632 58.662 -2.030 18808 60 1 1 . 1 1 20 20 SER CB C 20 63.767 63.767 63.775 -0.008 18808 61 1 1 . 1 1 20 20 SER H H 20 8.455 8.455 8.602 -0.147 18808 62 1 1 . 1 1 21 21 ARG N N 21 128.321 128.321 123.268 5.053 18808 63 1 1 . 1 1 21 21 ARG CA C 21 56.363 56.363 56.249 0.114 18808 64 1 1 . 1 1 21 21 ARG CB C 21 27.800 27.800 30.431 -2.631 18808 65 1 1 . 1 1 21 21 ARG H H 21 10.106 10.106 8.793 1.313 18808 66 1 1 . 1 1 22 22 TRP N N 22 122.075 122.075 120.658 1.417 18808 67 1 1 . 1 1 22 22 TRP CA C 22 57.297 57.297 56.752 0.545 18808 68 1 1 . 1 1 22 22 TRP CB C 22 28.494 28.494 28.721 -0.227 18808 69 1 1 . 1 1 22 22 TRP H H 22 8.077 8.077 7.773 0.304 18808 70 1 1 . 1 1 23 23 ASN N N 23 122.985 122.985 119.448 3.537 18808 71 1 1 . 1 1 23 23 ASN CA C 23 53.861 53.861 53.461 0.400 18808 72 1 1 . 1 1 23 23 ASN CB C 23 38.205 38.205 39.502 -1.297 18808 73 1 1 . 1 1 23 23 ASN H H 23 8.817 8.817 8.307 0.510 18808 74 1 1 . 1 1 24 24 GLN N N 24 122.244 122.244 115.992 6.252 18808 75 1 1 . 1 1 24 24 GLN CA C 24 55.338 55.338 55.969 -0.631 18808 76 1 1 . 1 1 24 24 GLN CB C 24 28.621 28.621 29.671 -1.050 18808 77 1 1 . 1 1 24 24 GLN H H 24 8.795 8.795 8.463 0.332 18808 78 1 1 . 1 1 25 25 ASP N N 25 122.220 122.220 122.463 -0.243 18808 79 1 1 . 1 1 25 25 ASP CA C 25 53.994 53.994 54.024 -0.030 18808 80 1 1 . 1 1 25 25 ASP CB C 25 40.463 40.463 42.095 -1.632 18808 81 1 1 . 1 1 25 25 ASP H H 25 8.612 8.612 8.122 0.490 18808 82 1 1 . 1 1 26 26 THR N N 26 114.228 114.228 116.708 -2.480 18808 83 1 1 . 1 1 26 26 THR CA C 26 61.524 61.524 60.618 0.906 18808 84 1 1 . 1 1 26 26 THR CB C 26 69.198 69.198 70.639 -1.441 18808 85 1 1 . 1 1 26 26 THR H H 26 8.158 8.158 8.200 -0.042 18808 86 1 1 . 1 1 27 27 MET N N 27 121.829 121.829 117.743 4.086 18808 87 1 1 . 1 1 27 27 MET CA C 27 55.546 55.546 57.330 -1.784 18808 88 1 1 . 1 1 27 27 MET CB C 27 31.644 31.644 32.325 -0.681 18808 89 1 1 . 1 1 27 27 MET H H 27 8.438 8.438 8.751 -0.313 18808 90 1 1 . 1 1 30 30 LYS CA C 30 55.776 55.776 57.873 -2.097 18808 91 1 1 . 1 1 30 30 LYS CB C 30 32.174 32.174 32.233 -0.059 18808 92 1 1 . 1 1 31 31 THR N N 31 116.696 116.696 116.739 -0.043 18808 93 1 1 . 1 1 31 31 THR CA C 31 61.760 61.760 62.539 -0.779 18808 94 1 1 . 1 1 31 31 THR CB C 31 69.262 69.262 70.040 -0.778 18808 95 1 1 . 1 1 31 31 THR H H 31 8.214 8.214 8.649 -0.435 18808 96 1 1 . 1 1 32 32 VAL N N 32 124.581 124.581 125.878 -1.297 18808 97 1 1 . 1 1 32 32 VAL CA C 32 61.964 61.964 62.705 -0.741 18808 98 1 1 . 1 1 32 32 VAL H H 32 8.262 8.262 7.700 0.562 18808 99 1 1 . 1 1 33 33 ILE N N 33 128.095 128.095 126.721 1.374 18808 100 1 1 . 1 1 33 33 ILE CA C 33 57.573 57.573 57.464 0.109 18808 101 1 1 . 1 1 33 33 ILE H H 33 8.606 8.606 8.000 0.606 18808 102 1 1 . 1 1 34 34 PRO CA C 34 63.255 63.255 62.696 0.559 18808 103 1 1 . 1 1 34 34 PRO CB C 34 31.086 31.086 31.787 -0.701 18808 104 1 1 . 1 1 35 35 GLY N N 35 110.169 110.169 112.928 -2.759 18808 105 1 1 . 1 1 35 35 GLY CA C 35 44.668 44.668 45.218 -0.550 18808 106 1 1 . 1 1 35 35 GLY H H 35 8.468 8.468 8.566 -0.098 18808 107 1 1 . 1 1 36 36 MET N N 36 121.185 121.185 122.372 -1.187 18808 108 1 1 . 1 1 36 36 MET HA H 36 4.833 4.833 4.854 -0.021 18808 109 1 1 . 1 1 36 36 MET CA C 36 52.739 52.739 52.747 -0.008 18808 110 1 1 . 1 1 36 36 MET CB C 36 32.162 32.162 34.159 -1.997 18808 111 1 1 . 1 1 36 36 MET H H 36 8.235 8.235 8.070 0.165 18808 112 1 1 . 1 1 38 38 THR N N 38 113.487 113.487 112.296 1.191 18808 113 1 1 . 1 1 38 38 THR H H 38 8.286 8.286 8.116 0.170 18808 114 1 1 . 1 1 39 39 VAL CA C 39 61.780 61.780 62.520 -0.740 18808 115 1 1 . 1 1 40 40 ILE N N 40 127.358 127.358 126.134 1.224 18808 116 1 1 . 1 1 40 40 ILE CB C 40 36.993 36.993 39.098 -2.105 18808 117 1 1 . 1 1 40 40 ILE H H 40 8.254 8.254 8.142 0.112 18808 118 1 1 . 1 1 42 42 PRO CA C 42 62.198 62.198 62.906 -0.708 18808 119 1 1 . 1 1 42 42 PRO CB C 42 31.440 31.440 30.945 0.495 18808 120 1 1 . 1 1 43 43 GLY N N 43 107.143 107.143 112.573 -5.430 18808 121 1 1 . 1 1 43 43 GLY CA C 43 45.443 45.443 45.108 0.336 18808 122 1 1 . 1 1 43 43 GLY H H 43 8.405 8.405 8.541 -0.136 18808 123 1 1 . 1 1 44 44 LEU N N 44 120.813 120.813 120.092 0.721 18808 124 1 1 . 1 1 44 44 LEU CA C 44 54.142 54.142 53.559 0.582 18808 125 1 1 . 1 1 44 44 LEU H H 44 8.148 8.148 7.846 0.302 18808 126 1 1 . 1 1 45 45 THR N N 45 113.080 113.080 111.847 1.233 18808 127 1 1 . 1 1 45 45 THR CA C 45 60.668 60.668 60.188 0.480 18808 128 1 1 . 1 1 45 45 THR CB C 45 70.540 70.540 71.747 -1.207 18808 129 1 1 . 1 1 45 45 THR H H 45 8.571 8.571 7.959 0.612 18808 130 1 1 . 1 1 46 46 ARG N N 46 120.920 120.920 122.233 -1.313 18808 131 1 1 . 1 1 46 46 ARG CA C 46 59.422 59.422 58.902 0.520 18808 132 1 1 . 1 1 46 46 ARG CB C 46 28.617 28.617 29.621 -1.004 18808 133 1 1 . 1 1 46 46 ARG H H 46 8.814 8.814 9.016 -0.202 18808 134 1 1 . 1 1 47 47 GLU N N 47 119.131 119.131 119.395 -0.264 18808 135 1 1 . 1 1 47 47 GLU CA C 47 59.797 59.797 59.608 0.188 18808 136 1 1 . 1 1 47 47 GLU CB C 47 28.200 28.200 28.704 -0.504 18808 137 1 1 . 1 1 47 47 GLU H H 47 8.836 8.836 8.585 0.251 18808 138 1 1 . 1 1 48 48 GLN N N 48 119.702 119.702 119.537 0.165 18808 139 1 1 . 1 1 48 48 GLN CA C 48 57.803 57.803 58.647 -0.843 18808 140 1 1 . 1 1 48 48 GLN CB C 48 28.555 28.555 28.432 0.123 18808 141 1 1 . 1 1 48 48 GLN H H 48 7.758 7.758 7.732 0.026 18808 142 1 1 . 1 1 49 49 GLU N N 49 122.252 122.252 120.199 2.053 18808 143 1 1 . 1 1 49 49 GLU CA C 49 59.663 59.663 59.732 -0.069 18808 144 1 1 . 1 1 49 49 GLU CB C 49 28.792 28.792 29.566 -0.774 18808 145 1 1 . 1 1 49 49 GLU H H 49 8.885 8.885 8.530 0.355 18808 146 1 1 . 1 1 50 50 ARG N N 50 118.823 118.823 118.700 0.123 18808 147 1 1 . 1 1 50 50 ARG CA C 50 57.785 57.785 58.142 -0.356 18808 148 1 1 . 1 1 50 50 ARG CB C 50 27.889 27.889 29.445 -1.556 18808 149 1 1 . 1 1 50 50 ARG H H 50 7.925 7.925 7.602 0.323 18808 150 1 1 . 1 1 51 51 ALA N N 51 119.205 119.205 123.092 -3.887 18808 151 1 1 . 1 1 51 51 ALA CA C 51 54.557 54.557 55.028 -0.471 18808 152 1 1 . 1 1 51 51 ALA CB C 51 17.465 17.465 18.232 -0.767 18808 153 1 1 . 1 1 51 51 ALA H H 51 7.978 7.978 8.031 -0.053 18808 154 1 1 . 1 1 52 52 TYR N N 52 119.802 119.802 120.120 -0.318 18808 155 1 1 . 1 1 52 52 TYR CA C 52 61.401 61.401 61.623 -0.222 18808 156 1 1 . 1 1 52 52 TYR H H 52 7.976 7.976 8.100 -0.124 18808 157 1 1 . 1 1 53 53 ILE N N 53 118.566 118.566 119.015 -0.449 18808 158 1 1 . 1 1 53 53 ILE CA C 53 63.981 63.981 65.483 -1.502 18808 159 1 1 . 1 1 53 53 ILE CB C 53 37.334 37.334 38.169 -0.834 18808 160 1 1 . 1 1 53 53 ILE H H 53 7.934 7.934 8.074 -0.140 18808 161 1 1 . 1 1 54 54 VAL N N 54 121.327 121.327 117.946 3.381 18808 162 1 1 . 1 1 54 54 VAL HA H 54 3.531 3.531 3.881 -0.350 18808 163 1 1 . 1 1 54 54 VAL CA C 54 66.363 66.363 65.317 1.046 18808 164 1 1 . 1 1 54 54 VAL H H 54 8.563 8.563 8.539 0.024 18808 165 1 1 . 1 1 55 55 GLN N N 55 119.475 119.475 120.412 -0.937 18808 166 1 1 . 1 1 55 55 GLN CA C 55 59.584 59.584 58.977 0.606 18808 167 1 1 . 1 1 55 55 GLN CB C 55 27.312 27.312 28.605 -1.293 18808 168 1 1 . 1 1 55 55 GLN H H 55 8.207 8.207 8.038 0.169 18808 169 1 1 . 1 1 56 56 LEU N N 56 120.914 120.914 120.209 0.705 18808 170 1 1 . 1 1 56 56 LEU H H 56 7.780 7.780 7.349 0.431 18808 171 1 1 . 1 1 57 57 GLN N N 57 122.652 122.652 118.478 4.174 18808 172 1 1 . 1 1 57 57 GLN CA C 57 58.722 58.722 58.945 -0.223 18808 173 1 1 . 1 1 57 57 GLN H H 57 8.363 8.363 7.708 0.655 18808 174 1 1 . 1 1 58 58 ILE N N 58 120.955 120.955 120.842 0.113 18808 175 1 1 . 1 1 58 58 ILE CA C 58 66.631 66.631 65.974 0.657 18808 176 1 1 . 1 1 58 58 ILE H H 58 8.876 8.876 8.625 0.251 18808 177 1 1 . 1 1 59 59 GLU N N 59 122.355 122.355 119.421 2.934 18808 178 1 1 . 1 1 59 59 GLU CA C 59 59.308 59.308 59.563 -0.255 18808 179 1 1 . 1 1 59 59 GLU CB C 59 29.193 29.193 29.071 0.122 18808 180 1 1 . 1 1 59 59 GLU H H 59 8.365 8.365 8.423 -0.058 18808 181 1 1 . 1 1 61 61 LEU CA C 61 57.885 57.885 58.196 -0.311 18808 182 1 1 . 1 1 62 62 THR N N 62 115.812 115.812 115.140 0.672 18808 183 1 1 . 1 1 62 62 THR HA H 62 3.804 3.804 3.871 -0.067 18808 184 1 1 . 1 1 62 62 THR CA C 62 67.067 67.067 67.032 0.035 18808 185 1 1 . 1 1 62 62 THR CB C 62 68.378 68.378 68.523 -0.145 18808 186 1 1 . 1 1 62 62 THR H H 62 8.417 8.417 8.309 0.108 18808 187 1 1 . 1 1 65 65 LEU N N 65 118.411 118.411 115.364 3.047 18808 188 1 1 . 1 1 65 65 LEU CA C 65 56.765 56.765 57.368 -0.603 18808 189 1 1 . 1 1 65 65 LEU H H 65 8.196 8.196 7.670 0.526 18808 190 1 1 . 1 1 66 66 ARG N N 66 119.024 119.024 117.924 1.100 18808 191 1 1 . 1 1 66 66 ARG CA C 66 57.751 57.751 58.456 -0.705 18808 192 1 1 . 1 1 66 66 ARG CB C 66 29.682 29.682 30.559 -0.877 18808 193 1 1 . 1 1 66 66 ARG H H 66 8.199 8.199 8.097 0.102 18808 194 1 1 . 1 1 67 67 THR N N 67 109.711 109.711 109.620 0.091 18808 195 1 1 . 1 1 67 67 THR HA H 67 4.357 4.357 4.454 -0.097 18808 196 1 1 . 1 1 67 67 THR CA C 67 62.199 62.199 62.183 0.016 18808 197 1 1 . 1 1 67 67 THR CB C 67 70.266 70.266 70.304 -0.038 18808 198 1 1 . 1 1 67 67 THR H H 67 7.993 7.993 8.109 -0.116 18808 199 1 1 . 1 1 68 68 GLY N N 68 110.782 110.782 110.917 -0.135 18808 200 1 1 . 1 1 68 68 GLY CA C 68 45.519 45.519 45.079 0.440 18808 201 1 1 . 1 1 68 68 GLY H H 68 8.065 8.065 7.924 0.141 18808 202 1 1 . 1 1 69 69 ASP N N 69 121.620 121.620 119.977 1.643 18808 203 1 1 . 1 1 69 69 ASP CA C 69 53.196 53.196 53.859 -0.663 18808 204 1 1 . 1 1 69 69 ASP CB C 69 39.719 39.719 40.892 -1.173 18808 205 1 1 . 1 1 69 69 ASP H H 69 8.096 8.096 7.834 0.262 18808 206 1 1 . 1 1 70 70 LEU N N 70 120.862 120.862 127.112 -6.250 18808 207 1 1 . 1 1 70 70 LEU CA C 70 54.820 54.820 54.951 -0.131 18808 208 1 1 . 1 1 70 70 LEU H H 70 8.023 8.023 7.703 0.320 18808 209 1 1 . 1 1 71 71 GLY N N 71 108.143 108.143 108.757 -0.614 18808 210 1 1 . 1 1 71 71 GLY CA C 71 45.026 45.026 45.953 -0.927 18808 211 1 1 . 1 1 71 71 GLY H H 71 8.433 8.433 7.630 0.803 18808 212 1 1 . 1 1 72 72 ILE N N 72 121.288 121.288 120.975 0.313 18808 213 1 1 . 1 1 72 72 ILE CA C 72 58.132 58.132 58.230 -0.098 18808 214 1 1 . 1 1 72 72 ILE CB C 72 37.749 37.749 38.024 -0.275 18808 215 1 1 . 1 1 72 72 ILE H H 72 7.863 7.863 7.716 0.147 18808 216 1 1 . 1 1 73 73 PRO HA H 73 4.665 4.665 4.584 0.081 18808 217 1 1 . 1 1 73 73 PRO CA C 73 61.094 61.094 61.634 -0.540 18808 218 1 1 . 1 1 74 74 PRO CA C 74 62.599 62.599 64.400 -1.801 18808 219 1 1 . 1 1 74 74 PRO CB C 74 31.140 31.140 32.255 -1.115 18808 220 1 1 . 1 1 75 75 ASN N N 75 119.457 119.457 116.657 2.800 18808 221 1 1 . 1 1 75 75 ASN HA H 75 4.972 4.972 5.063 -0.091 18808 222 1 1 . 1 1 75 75 ASN CA C 75 50.708 50.708 51.169 -0.461 18808 223 1 1 . 1 1 75 75 ASN CB C 75 38.220 38.220 39.264 -1.044 18808 224 1 1 . 1 1 75 75 ASN H H 75 8.476 8.476 8.124 0.352 18808 225 1 1 . 1 1 76 76 PRO HA H 76 4.331 4.331 4.231 0.100 18808 226 1 1 . 1 1 76 76 PRO CA C 76 63.643 63.643 64.148 -0.505 18808 227 1 1 . 1 1 76 76 PRO CB C 76 31.191 31.191 32.219 -1.028 18808 228 1 1 . 1 1 77 77 GLU N N 77 118.567 118.567 120.864 -2.297 18808 229 1 1 . 1 1 77 77 GLU HA H 77 4.223 4.223 4.434 -0.211 18808 230 1 1 . 1 1 77 77 GLU CA C 77 56.457 56.457 55.323 1.134 18808 231 1 1 . 1 1 77 77 GLU CB C 77 28.811 28.811 29.742 -0.931 18808 232 1 1 . 1 1 77 77 GLU H H 77 8.491 8.491 8.332 0.159 18808 233 1 1 . 1 1 78 78 ASP N N 78 120.557 120.557 124.514 -3.957 18808 234 1 1 . 1 1 78 78 ASP CA C 78 54.073 54.073 54.615 -0.542 18808 235 1 1 . 1 1 78 78 ASP CB C 78 40.455 40.455 41.789 -1.334 18808 236 1 1 . 1 1 78 78 ASP H H 78 8.015 8.015 8.573 -0.558 18808 237 1 1 . 1 1 79 79 ARG N N 79 121.090 121.090 122.129 -1.039 18808 238 1 1 . 1 1 79 79 ARG CA C 79 55.406 55.406 55.664 -0.258 18808 239 1 1 . 1 1 79 79 ARG CB C 79 29.636 29.636 30.867 -1.231 18808 240 1 1 . 1 1 79 79 ARG H H 79 8.120 8.120 8.366 -0.246 18808 241 1 1 . 1 1 80 80 SER N N 80 118.342 118.342 115.760 2.582 18808 242 1 1 . 1 1 80 80 SER HA H 80 4.704 4.704 4.563 0.141 18808 243 1 1 . 1 1 80 80 SER CA C 80 56.232 56.232 56.954 -0.722 18808 244 1 1 . 1 1 80 80 SER CB C 80 62.761 62.761 63.403 -0.642 18808 245 1 1 . 1 1 80 80 SER H H 80 8.337 8.337 8.239 0.098 18808 246 1 1 . 1 1 81 81 PRO CA C 81 62.870 62.870 63.352 -0.482 18808 247 1 1 . 1 1 81 81 PRO CB C 81 31.134 31.134 32.162 -1.028 18808 248 1 1 . 1 1 82 82 SER N N 82 117.424 117.424 118.571 -1.147 18808 249 1 1 . 1 1 82 82 SER HA H 82 4.726 4.726 4.757 -0.031 18808 250 1 1 . 1 1 82 82 SER CA C 82 55.808 55.808 55.898 -0.090 18808 251 1 1 . 1 1 82 82 SER CB C 82 62.903 62.903 64.362 -1.459 18808 252 1 1 . 1 1 82 82 SER H H 82 8.358 8.358 8.119 0.239 18808 253 1 1 . 1 1 83 83 PRO CA C 83 62.778 62.778 62.534 0.244 18808 254 1 1 . 1 1 84 84 GLU N N 84 122.184 122.184 119.924 2.260 18808 255 1 1 . 1 1 84 84 GLU HA H 84 4.539 4.539 4.482 0.057 18808 256 1 1 . 1 1 84 84 GLU CA C 84 53.934 53.934 54.749 -0.815 18808 257 1 1 . 1 1 84 84 GLU CB C 84 28.861 28.861 29.077 -0.216 18808 258 1 1 . 1 1 84 84 GLU H H 84 8.295 8.295 8.485 -0.190 18808 259 1 1 . 1 1 85 85 PRO CA C 85 62.675 62.675 63.578 -0.902 18808 260 1 1 . 1 1 85 85 PRO CB C 85 31.123 31.123 31.932 -0.809 18808 261 1 1 . 1 1 86 86 ILE N N 86 120.522 120.522 119.642 0.880 18808 262 1 1 . 1 1 86 86 ILE CA C 86 60.553 60.553 60.481 0.072 18808 263 1 1 . 1 1 86 86 ILE CB C 86 38.305 38.305 38.792 -0.487 18808 264 1 1 . 1 1 86 86 ILE H H 86 8.052 8.052 7.492 0.560 18808 265 1 1 . 1 1 87 87 TYR N N 87 123.178 123.178 130.289 -7.111 18808 266 1 1 . 1 1 87 87 TYR HA H 87 4.905 4.905 4.540 0.364 18808 267 1 1 . 1 1 87 87 TYR CA C 87 56.744 56.744 58.368 -1.625 18808 268 1 1 . 1 1 87 87 TYR CB C 87 39.324 39.324 38.843 0.481 18808 269 1 1 . 1 1 87 87 TYR H H 87 8.272 8.272 8.534 -0.262 18808 270 1 1 . 1 1 88 88 ASN N N 88 120.123 120.123 125.317 -5.194 18808 271 1 1 . 1 1 88 88 ASN HA H 88 4.801 4.801 4.627 0.174 18808 272 1 1 . 1 1 88 88 ASN CA C 88 51.734 51.734 52.493 -0.759 18808 273 1 1 . 1 1 88 88 ASN CB C 88 38.209 38.209 40.766 -2.557 18808 274 1 1 . 1 1 88 88 ASN H H 88 8.466 8.466 8.457 0.009 18808 275 1 1 . 1 1 89 89 SER N N 89 115.872 115.872 117.804 -1.932 18808 276 1 1 . 1 1 89 89 SER HA H 89 4.276 4.276 4.058 0.218 18808 277 1 1 . 1 1 89 89 SER CA C 89 59.589 59.589 59.611 -0.022 18808 278 1 1 . 1 1 89 89 SER CB C 89 62.695 62.695 63.604 -0.909 18808 279 1 1 . 1 1 89 89 SER H H 89 8.460 8.460 8.208 0.252 18808 280 1 1 . 1 1 90 90 GLU CA C 90 56.320 56.320 55.586 0.734 18808 281 1 1 . 1 1 90 90 GLU CB C 90 29.074 29.074 31.247 -2.173 18808 282 1 1 . 1 1 91 91 GLY N N 91 108.520 108.520 108.672 -0.152 18808 283 1 1 . 1 1 91 91 GLY CA C 91 45.175 45.175 44.575 0.600 18808 284 1 1 . 1 1 91 91 GLY H H 91 8.245 8.245 8.260 -0.015 18808 285 1 1 . 1 1 92 92 LYS N N 92 120.880 120.880 120.037 0.843 18808 286 1 1 . 1 1 92 92 LYS CA C 92 55.393 55.393 55.011 0.382 18808 287 1 1 . 1 1 92 92 LYS CB C 92 32.047 32.047 33.450 -1.403 18808 288 1 1 . 1 1 92 92 LYS H H 92 8.022 8.022 8.340 -0.318 18808 289 1 1 . 1 1 93 93 ARG N N 93 123.484 123.484 121.980 1.504 18808 290 1 1 . 1 1 93 93 ARG HA H 93 4.230 4.230 4.291 -0.061 18808 291 1 1 . 1 1 93 93 ARG CA C 93 55.894 55.894 57.513 -1.619 18808 292 1 1 . 1 1 93 93 ARG CB C 93 30.480 30.480 29.940 0.540 18808 293 1 1 . 1 1 93 93 ARG H H 93 8.476 8.476 8.636 -0.160 18808 294 1 1 . 1 1 94 94 LEU N N 94 124.336 124.336 117.755 6.581 18808 295 1 1 . 1 1 94 94 LEU HA H 94 4.323 4.323 4.304 0.019 18808 296 1 1 . 1 1 94 94 LEU CA C 94 54.606 54.606 55.304 -0.698 18808 297 1 1 . 1 1 94 94 LEU H H 94 8.391 8.391 7.822 0.569 18808 298 1 1 . 1 1 95 95 ASN N N 95 119.662 119.662 116.550 3.112 18808 299 1 1 . 1 1 95 95 ASN HA H 95 4.793 4.793 4.845 -0.052 18808 300 1 1 . 1 1 95 95 ASN CA C 95 52.490 52.490 52.986 -0.496 18808 301 1 1 . 1 1 95 95 ASN CB C 95 38.070 38.070 39.900 -1.830 18808 302 1 1 . 1 1 95 95 ASN H H 95 8.533 8.533 7.703 0.830 18808 303 1 1 . 1 1 96 96 THR N N 96 114.180 114.180 118.676 -4.496 18808 304 1 1 . 1 1 96 96 THR CA C 96 62.469 62.469 63.600 -1.131 18808 305 1 1 . 1 1 96 96 THR H H 96 8.128 8.128 8.465 -0.337 18808 306 1 1 . 1 1 97 97 ARG N N 97 122.577 122.577 122.956 -0.379 18808 307 1 1 . 1 1 97 97 ARG CA C 97 58.053 58.053 59.535 -1.482 18808 308 1 1 . 1 1 97 97 ARG H H 97 8.626 8.626 8.691 -0.065 18808 309 1 1 . 1 1 98 98 GLU N N 98 121.594 121.594 121.342 0.252 18808 310 1 1 . 1 1 98 98 GLU CA C 98 58.320 58.320 59.810 -1.490 18808 311 1 1 . 1 1 98 98 GLU H H 98 8.607 8.607 8.566 0.041 18808 312 1 1 . 1 1 100 100 ARG CA C 100 58.113 58.113 59.979 -1.866 18808 313 1 1 . 1 1 101 101 THR N N 101 115.806 115.806 116.197 -0.391 18808 314 1 1 . 1 1 101 101 THR HA H 101 3.987 3.987 4.041 -0.054 18808 315 1 1 . 1 1 101 101 THR CA C 101 64.627 64.627 66.436 -1.809 18808 316 1 1 . 1 1 101 101 THR H H 101 8.091 8.091 7.944 0.147 18808 317 1 1 . 1 1 102 102 ARG N N 102 122.017 122.017 120.893 1.124 18808 318 1 1 . 1 1 102 102 ARG CA C 102 60.055 60.055 59.904 0.151 18808 319 1 1 . 1 1 102 102 ARG H H 102 8.430 8.430 8.418 0.012 18808 320 1 1 . 1 1 103 103 LYS N N 103 117.689 117.689 119.771 -2.082 18808 321 1 1 . 1 1 103 103 LYS CA C 103 58.573 58.573 58.219 0.354 18808 322 1 1 . 1 1 103 103 LYS H H 103 7.975 7.975 8.267 -0.292 18808 323 1 1 . 1 1 104 104 LYS N N 104 119.765 119.765 119.845 -0.080 18808 324 1 1 . 1 1 104 104 LYS CA C 104 58.500 58.500 58.693 -0.193 18808 325 1 1 . 1 1 104 104 LYS CB C 104 31.083 31.083 31.773 -0.689 18808 326 1 1 . 1 1 104 104 LYS H H 104 7.674 7.674 7.566 0.108 18808 327 1 1 . 1 1 105 105 LEU N N 105 120.812 120.812 118.955 1.857 18808 328 1 1 . 1 1 105 105 LEU CA C 105 57.813 57.813 58.120 -0.307 18808 329 1 1 . 1 1 105 105 LEU H H 105 8.120 8.120 7.911 0.209 18808 330 1 1 . 1 1 106 106 GLU N N 106 118.877 118.877 118.888 -0.011 18808 331 1 1 . 1 1 106 106 GLU CA C 106 59.150 59.150 59.752 -0.602 18808 332 1 1 . 1 1 106 106 GLU CB C 106 29.012 29.012 29.228 -0.216 18808 333 1 1 . 1 1 106 106 GLU H H 106 8.707 8.707 8.018 0.689 18808 334 1 1 . 1 1 107 107 GLU N N 107 122.176 122.176 118.952 3.224 18808 335 1 1 . 1 1 107 107 GLU H H 107 8.357 8.357 8.230 0.127 18808 336 1 1 . 1 1 108 108 GLU N N 108 121.565 121.565 119.696 1.869 18808 337 1 1 . 1 1 108 108 GLU H H 108 8.322 8.322 8.028 0.294 18808 338 1 1 . 1 1 109 109 ARG N N 109 118.431 118.431 119.884 -1.453 18808 339 1 1 . 1 1 109 109 ARG H H 109 8.613 8.613 8.218 0.395 18808 340 1 1 . 1 1 110 110 HIS N N 110 119.577 119.577 118.364 1.213 18808 341 1 1 . 1 1 110 110 HIS CA C 110 60.031 60.031 59.123 0.908 18808 342 1 1 . 1 1 110 110 HIS H H 110 8.541 8.541 8.582 -0.041 18808 343 1 1 . 1 1 111 111 ASN N N 111 119.551 119.551 118.433 1.118 18808 344 1 1 . 1 1 111 111 ASN CB C 111 36.981 36.981 38.311 -1.330 18808 345 1 1 . 1 1 111 111 ASN H H 111 8.401 8.401 8.161 0.240 18808 346 1 1 . 1 1 112 112 LEU N N 112 121.995 121.995 119.932 2.063 18808 347 1 1 . 1 1 112 112 LEU CA C 112 57.434 57.434 57.686 -0.252 18808 348 1 1 . 1 1 112 112 LEU H H 112 8.088 8.088 7.575 0.513 18808 349 1 1 . 1 1 113 113 ILE N N 113 121.510 121.510 120.866 0.644 18808 350 1 1 . 1 1 113 113 ILE CA C 113 65.489 65.489 64.681 0.808 18808 351 1 1 . 1 1 113 113 ILE H H 113 8.527 8.527 8.588 -0.061 18808 352 1 1 . 1 1 114 114 THR N N 114 115.127 115.127 115.421 -0.294 18808 353 1 1 . 1 1 114 114 THR HA H 114 3.748 3.748 4.005 -0.257 18808 354 1 1 . 1 1 114 114 THR CA C 114 66.173 66.173 67.192 -1.019 18808 355 1 1 . 1 1 114 114 THR CB C 114 68.210 68.210 68.068 0.142 18808 356 1 1 . 1 1 114 114 THR H H 114 8.102 8.102 8.392 -0.290 18808 357 1 1 . 1 1 115 115 GLU N N 115 123.316 123.316 122.220 1.096 18808 358 1 1 . 1 1 115 115 GLU CA C 115 58.663 58.663 59.249 -0.586 18808 359 1 1 . 1 1 115 115 GLU CB C 115 28.390 28.390 29.434 -1.044 18808 360 1 1 . 1 1 115 115 GLU H H 115 7.473 7.473 7.511 -0.038 18808 361 1 1 . 1 1 116 116 MET N N 116 119.934 119.934 119.902 0.032 18808 362 1 1 . 1 1 116 116 MET CA C 116 56.561 56.561 59.236 -2.675 18808 363 1 1 . 1 1 116 116 MET H H 116 8.442 8.442 8.526 -0.084 18808 364 1 1 . 1 1 117 117 VAL N N 117 117.688 117.688 119.892 -2.204 18808 365 1 1 . 1 1 117 117 VAL HA H 117 3.946 3.946 4.222 -0.276 18808 366 1 1 . 1 1 117 117 VAL CA C 117 61.989 61.989 66.191 -4.202 18808 367 1 1 . 1 1 117 117 VAL H H 117 8.332 8.332 8.655 -0.323 18808 368 1 1 . 1 1 118 118 ALA N N 118 120.568 120.568 121.938 -1.370 18808 369 1 1 . 1 1 118 118 ALA HA H 118 4.173 4.173 4.156 0.017 18808 370 1 1 . 1 1 118 118 ALA CA C 118 53.531 53.531 54.880 -1.349 18808 371 1 1 . 1 1 118 118 ALA CB C 118 17.606 17.606 18.667 -1.061 18808 372 1 1 . 1 1 118 118 ALA H H 118 7.143 7.143 7.516 -0.373 18808 373 1 1 . 1 1 119 119 LEU N N 119 118.032 118.032 118.201 -0.169 18808 374 1 1 . 1 1 119 119 LEU CA C 119 56.245 56.245 56.528 -0.283 18808 375 1 1 . 1 1 119 119 LEU H H 119 7.585 7.585 8.093 -0.508 18808 376 1 1 . 1 1 120 120 ASN N N 120 115.407 115.407 115.607 -0.200 18808 377 1 1 . 1 1 120 120 ASN HA H 120 5.065 5.065 5.148 -0.083 18808 378 1 1 . 1 1 120 120 ASN CA C 120 49.613 49.613 50.075 -0.462 18808 379 1 1 . 1 1 120 120 ASN CB C 120 38.651 38.651 39.919 -1.268 18808 380 1 1 . 1 1 120 120 ASN H H 120 8.512 8.512 8.150 0.362 18808 381 1 1 . 1 1 121 121 PRO HA H 121 4.711 4.711 4.586 0.125 18808 382 1 1 . 1 1 121 121 PRO CA C 121 63.796 63.796 64.618 -0.822 18808 383 1 1 . 1 1 121 121 PRO CB C 121 31.383 31.383 32.358 -0.975 18808 384 1 1 . 1 1 122 122 ASP N N 122 115.768 115.768 117.523 -1.755 18808 385 1 1 . 1 1 122 122 ASP CA C 122 53.863 53.863 53.743 0.119 18808 386 1 1 . 1 1 122 122 ASP CB C 122 40.647 40.647 41.578 -0.931 18808 387 1 1 . 1 1 122 122 ASP H H 122 7.676 7.676 8.015 -0.339 18808 388 1 1 . 1 1 123 123 PHE N N 123 122.733 122.733 121.683 1.050 18808 389 1 1 . 1 1 123 123 PHE HA H 123 4.181 4.181 4.408 -0.227 18808 390 1 1 . 1 1 123 123 PHE CA C 123 58.501 58.501 58.780 -0.279 18808 391 1 1 . 1 1 123 123 PHE CB C 123 38.660 38.660 39.664 -1.004 18808 392 1 1 . 1 1 123 123 PHE H H 123 7.989 7.989 7.464 0.525 18808 393 1 1 . 1 1 124 124 LYS N N 124 129.392 129.392 128.632 0.760 18808 394 1 1 . 1 1 124 124 LYS HA H 124 4.592 4.592 4.416 0.176 18808 395 1 1 . 1 1 124 124 LYS CA C 124 51.210 51.210 52.006 -0.796 18808 396 1 1 . 1 1 124 124 LYS CB C 124 31.495 31.495 31.923 -0.428 18808 397 1 1 . 1 1 124 124 LYS H H 124 7.686 7.686 8.327 -0.641 18808 398 1 1 . 1 1 125 125 PRO HA H 125 4.139 4.139 4.206 -0.067 18808 399 1 1 . 1 1 125 125 PRO CA C 125 60.556 60.556 61.318 -0.762 18808 400 1 1 . 1 1 126 126 PRO HA H 126 4.771 4.771 4.348 0.423 18808 401 1 1 . 1 1 126 126 PRO CA C 126 62.246 62.246 62.986 -0.740 18808 402 1 1 . 1 1 126 126 PRO CB C 126 31.352 31.352 32.250 -0.898 18808 403 1 1 . 1 1 127 127 ALA N N 127 123.830 123.830 123.680 0.150 18808 404 1 1 . 1 1 127 127 ALA HA H 127 4.105 4.105 4.109 -0.004 18808 405 1 1 . 1 1 127 127 ALA CA C 127 54.149 54.149 54.273 -0.124 18808 406 1 1 . 1 1 127 127 ALA CB C 127 18.076 18.076 18.883 -0.807 18808 407 1 1 . 1 1 127 127 ALA H H 127 8.691 8.691 8.512 0.179 18808 408 1 1 . 1 1 128 128 ASP N N 128 112.954 112.954 116.170 -3.216 18808 409 1 1 . 1 1 128 128 ASP CA C 128 53.203 53.203 54.866 -1.663 18808 410 1 1 . 1 1 128 128 ASP CB C 128 39.728 39.728 40.821 -1.093 18808 411 1 1 . 1 1 128 128 ASP H H 128 8.403 8.403 8.302 0.101 18808 412 1 1 . 1 1 129 129 TYR N N 129 121.200 121.200 122.408 -1.208 18808 413 1 1 . 1 1 129 129 TYR CA C 129 57.918 57.918 59.030 -1.112 18808 414 1 1 . 1 1 129 129 TYR CB C 129 38.075 38.075 38.641 -0.566 18808 415 1 1 . 1 1 129 129 TYR H H 129 7.650 7.650 7.433 0.217 18808 416 1 1 . 1 1 130 130 LYS N N 130 129.878 129.878 128.358 1.520 18808 417 1 1 . 1 1 130 130 LYS HA H 130 4.361 4.361 4.438 -0.077 18808 418 1 1 . 1 1 130 130 LYS CA C 130 52.063 52.063 52.478 -0.415 18808 419 1 1 . 1 1 130 130 LYS CB C 130 32.565 32.565 32.465 0.100 18808 420 1 1 . 1 1 130 130 LYS H H 130 7.784 7.784 7.828 -0.044 18808 421 1 1 . 1 1 132 132 PRO CA C 132 62.394 62.394 62.936 -0.542 18808 422 1 1 . 1 1 132 132 PRO CB C 132 29.945 29.945 31.845 -1.900 18808 423 1 1 . 1 1 133 133 ALA N N 133 124.238 124.238 122.598 1.640 18808 424 1 1 . 1 1 133 133 ALA HA H 133 4.293 4.293 4.180 0.113 18808 425 1 1 . 1 1 133 133 ALA CA C 133 52.004 52.004 53.189 -1.185 18808 426 1 1 . 1 1 133 133 ALA CB C 133 18.521 18.521 17.589 0.932 18808 427 1 1 . 1 1 133 133 ALA H H 133 8.375 8.375 8.774 -0.399 18808 428 1 2 . 1 1 3 3 THR N N 3 118.281 118.281 115.747 2.534 18808 429 1 2 . 1 1 3 3 THR HA H 3 4.220 4.220 4.347 -0.127 18808 430 1 2 . 1 1 3 3 THR CA C 3 61.481 61.481 62.420 -0.939 18808 431 1 2 . 1 1 3 3 THR CB C 3 69.427 69.427 69.324 0.103 18808 432 1 2 . 1 1 3 3 THR H H 3 8.283 8.283 8.629 -0.346 18808 433 1 2 . 1 1 4 4 GLY N N 4 111.418 111.418 108.370 3.048 18808 434 1 2 . 1 1 4 4 GLY CA C 4 44.811 44.811 44.736 0.075 18808 435 1 2 . 1 1 4 4 GLY H H 4 8.445 8.445 7.733 0.712 18808 436 1 2 . 1 1 5 5 ALA N N 5 123.764 123.764 123.793 -0.029 18808 437 1 2 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.504 -0.180 18808 438 1 2 . 1 1 5 5 ALA CA C 5 52.237 52.237 51.654 0.583 18808 439 1 2 . 1 1 5 5 ALA CB C 5 18.688 18.688 18.203 0.485 18808 440 1 2 . 1 1 5 5 ALA H H 5 8.229 8.229 8.346 -0.117 18808 441 1 2 . 1 1 6 6 ASN N N 6 117.534 117.534 120.844 -3.310 18808 442 1 2 . 1 1 6 6 ASN HA H 6 4.672 4.672 4.731 -0.059 18808 443 1 2 . 1 1 6 6 ASN CA C 6 52.760 52.760 54.110 -1.350 18808 444 1 2 . 1 1 6 6 ASN CB C 6 38.294 38.294 39.656 -1.362 18808 445 1 2 . 1 1 6 6 ASN H H 6 8.426 8.426 7.998 0.428 18808 446 1 2 . 1 1 7 7 ALA N N 7 124.230 124.230 123.553 0.677 18808 447 1 2 . 1 1 7 7 ALA HA H 7 4.375 4.375 4.264 0.111 18808 448 1 2 . 1 1 7 7 ALA CA C 7 52.033 52.033 53.890 -1.857 18808 449 1 2 . 1 1 7 7 ALA CB C 7 18.611 18.611 19.311 -0.700 18808 450 1 2 . 1 1 7 7 ALA H H 7 8.171 8.171 8.358 -0.187 18808 451 1 2 . 1 1 8 8 THR N N 8 116.291 116.291 112.554 3.737 18808 452 1 2 . 1 1 8 8 THR HA H 8 4.613 4.613 4.605 0.008 18808 453 1 2 . 1 1 8 8 THR CA C 8 59.445 59.445 59.001 0.444 18808 454 1 2 . 1 1 8 8 THR CB C 8 69.200 69.200 70.094 -0.894 18808 455 1 2 . 1 1 8 8 THR H H 8 8.211 8.211 7.756 0.455 18808 456 1 2 . 1 1 9 9 PRO CA C 9 62.885 62.885 63.085 -0.200 18808 457 1 2 . 1 1 9 9 PRO CB C 9 31.241 31.241 32.122 -0.881 18808 458 1 2 . 1 1 10 10 LEU N N 10 121.874 121.874 120.628 1.246 18808 459 1 2 . 1 1 10 10 LEU HA H 10 4.257 4.257 3.923 0.334 18808 460 1 2 . 1 1 10 10 LEU CA C 10 54.751 54.751 56.949 -2.198 18808 461 1 2 . 1 1 10 10 LEU H H 10 8.245 8.245 8.535 -0.290 18808 462 1 2 . 1 1 11 11 ASP N N 11 120.266 120.266 118.410 1.856 18808 463 1 2 . 1 1 11 11 ASP CA C 11 53.652 53.652 53.197 0.456 18808 464 1 2 . 1 1 11 11 ASP CB C 11 40.760 40.760 42.623 -1.863 18808 465 1 2 . 1 1 11 11 ASP H H 11 8.091 8.091 7.978 0.113 18808 466 1 2 . 1 1 12 12 PHE N N 12 121.243 121.243 120.192 1.051 18808 467 1 2 . 1 1 12 12 PHE CA C 12 55.502 55.502 56.273 -0.771 18808 468 1 2 . 1 1 12 12 PHE CB C 12 38.370 38.370 38.887 -0.517 18808 469 1 2 . 1 1 12 12 PHE H H 12 8.058 8.058 8.047 0.011 18808 470 1 2 . 1 1 13 13 PRO CA C 13 63.035 63.035 63.491 -0.456 18808 471 1 2 . 1 1 13 13 PRO CB C 13 31.024 31.024 31.951 -0.927 18808 472 1 2 . 1 1 14 14 SER N N 14 115.993 115.993 118.839 -2.846 18808 473 1 2 . 1 1 14 14 SER CA C 14 58.010 58.010 57.319 0.691 18808 474 1 2 . 1 1 14 14 SER CB C 14 63.227 63.227 64.318 -1.091 18808 475 1 2 . 1 1 14 14 SER H H 14 8.301 8.301 8.240 0.061 18808 476 1 2 . 1 1 15 15 LYS N N 15 123.610 123.610 120.639 2.971 18808 477 1 2 . 1 1 15 15 LYS CA C 15 55.871 55.871 57.404 -1.533 18808 478 1 2 . 1 1 15 15 LYS CB C 15 32.035 32.035 30.930 1.105 18808 479 1 2 . 1 1 15 15 LYS H H 15 8.319 8.319 8.577 -0.258 18808 480 1 2 . 1 1 18 18 LYS CB C 18 32.178 32.178 33.835 -1.657 18808 481 1 2 . 1 1 19 19 ARG N N 19 121.722 121.722 121.955 -0.233 18808 482 1 2 . 1 1 19 19 ARG CA C 19 55.272 55.272 55.455 -0.183 18808 483 1 2 . 1 1 19 19 ARG CB C 19 30.231 30.231 31.706 -1.475 18808 484 1 2 . 1 1 19 19 ARG H H 19 8.327 8.327 8.114 0.213 18808 485 1 2 . 1 1 20 20 SER N N 20 116.915 116.915 120.285 -3.370 18808 486 1 2 . 1 1 20 20 SER CA C 20 56.632 56.632 58.592 -1.960 18808 487 1 2 . 1 1 20 20 SER CB C 20 63.767 63.767 63.768 -0.001 18808 488 1 2 . 1 1 20 20 SER H H 20 8.455 8.455 8.601 -0.146 18808 489 1 2 . 1 1 21 21 ARG N N 21 128.321 128.321 123.133 5.188 18808 490 1 2 . 1 1 21 21 ARG CA C 21 56.363 56.363 56.251 0.112 18808 491 1 2 . 1 1 21 21 ARG CB C 21 27.800 27.800 30.420 -2.620 18808 492 1 2 . 1 1 21 21 ARG H H 21 10.106 10.106 8.786 1.320 18808 493 1 2 . 1 1 22 22 TRP N N 22 122.075 122.075 120.801 1.274 18808 494 1 2 . 1 1 22 22 TRP CA C 22 57.297 57.297 56.857 0.440 18808 495 1 2 . 1 1 22 22 TRP CB C 22 28.494 28.494 28.654 -0.160 18808 496 1 2 . 1 1 22 22 TRP H H 22 8.077 8.077 8.091 -0.014 18808 497 1 2 . 1 1 23 23 ASN N N 23 122.985 122.985 120.604 2.381 18808 498 1 2 . 1 1 23 23 ASN CA C 23 53.861 53.861 53.590 0.271 18808 499 1 2 . 1 1 23 23 ASN CB C 23 38.205 38.205 39.529 -1.324 18808 500 1 2 . 1 1 23 23 ASN H H 23 8.817 8.817 8.240 0.577 18808 501 1 2 . 1 1 24 24 GLN N N 24 122.244 122.244 115.256 6.988 18808 502 1 2 . 1 1 24 24 GLN CA C 24 55.338 55.338 56.114 -0.776 18808 503 1 2 . 1 1 24 24 GLN CB C 24 28.621 28.621 29.284 -0.663 18808 504 1 2 . 1 1 24 24 GLN H H 24 8.795 8.795 8.376 0.419 18808 505 1 2 . 1 1 25 25 ASP N N 25 122.220 122.220 121.220 1.000 18808 506 1 2 . 1 1 25 25 ASP CA C 25 53.994 53.994 54.211 -0.217 18808 507 1 2 . 1 1 25 25 ASP CB C 25 40.463 40.463 41.803 -1.340 18808 508 1 2 . 1 1 25 25 ASP H H 25 8.612 8.612 7.960 0.652 18808 509 1 2 . 1 1 26 26 THR N N 26 114.228 114.228 118.296 -4.068 18808 510 1 2 . 1 1 26 26 THR CA C 26 61.524 61.524 62.941 -1.417 18808 511 1 2 . 1 1 26 26 THR CB C 26 69.198 69.198 68.546 0.652 18808 512 1 2 . 1 1 26 26 THR H H 26 8.158 8.158 8.178 -0.020 18808 513 1 2 . 1 1 27 27 MET N N 27 121.829 121.829 119.785 2.044 18808 514 1 2 . 1 1 27 27 MET CA C 27 55.546 55.546 56.544 -0.998 18808 515 1 2 . 1 1 27 27 MET CB C 27 31.644 31.644 33.071 -1.427 18808 516 1 2 . 1 1 27 27 MET H H 27 8.438 8.438 8.138 0.300 18808 517 1 2 . 1 1 30 30 LYS CA C 30 55.776 55.776 55.454 0.322 18808 518 1 2 . 1 1 30 30 LYS CB C 30 32.174 32.174 32.134 0.040 18808 519 1 2 . 1 1 31 31 THR N N 31 116.696 116.696 115.066 1.630 18808 520 1 2 . 1 1 31 31 THR CA C 31 61.760 61.760 60.915 0.845 18808 521 1 2 . 1 1 31 31 THR CB C 31 69.262 69.262 70.150 -0.888 18808 522 1 2 . 1 1 31 31 THR H H 31 8.214 8.214 8.037 0.177 18808 523 1 2 . 1 1 32 32 VAL N N 32 124.581 124.581 120.922 3.659 18808 524 1 2 . 1 1 32 32 VAL CA C 32 61.964 61.964 59.653 2.311 18808 525 1 2 . 1 1 32 32 VAL H H 32 8.262 8.262 8.275 -0.013 18808 526 1 2 . 1 1 33 33 ILE N N 33 128.095 128.095 127.581 0.514 18808 527 1 2 . 1 1 33 33 ILE CA C 33 57.573 57.573 56.756 0.817 18808 528 1 2 . 1 1 33 33 ILE H H 33 8.606 8.606 8.362 0.244 18808 529 1 2 . 1 1 34 34 PRO CA C 34 63.255 63.255 64.219 -0.964 18808 530 1 2 . 1 1 34 34 PRO CB C 34 31.086 31.086 31.607 -0.521 18808 531 1 2 . 1 1 35 35 GLY N N 35 110.169 110.169 111.496 -1.327 18808 532 1 2 . 1 1 35 35 GLY CA C 35 44.668 44.668 44.886 -0.218 18808 533 1 2 . 1 1 35 35 GLY H H 35 8.468 8.468 8.552 -0.084 18808 534 1 2 . 1 1 36 36 MET N N 36 121.185 121.185 122.545 -1.360 18808 535 1 2 . 1 1 36 36 MET HA H 36 4.833 4.833 4.932 -0.099 18808 536 1 2 . 1 1 36 36 MET CA C 36 52.739 52.739 52.005 0.734 18808 537 1 2 . 1 1 36 36 MET CB C 36 32.162 32.162 32.156 0.006 18808 538 1 2 . 1 1 36 36 MET H H 36 8.235 8.235 7.734 0.501 18808 539 1 2 . 1 1 38 38 THR N N 38 113.487 113.487 111.720 1.767 18808 540 1 2 . 1 1 38 38 THR H H 38 8.286 8.286 8.220 0.066 18808 541 1 2 . 1 1 39 39 VAL CA C 39 61.780 61.780 61.941 -0.161 18808 542 1 2 . 1 1 40 40 ILE N N 40 127.358 127.358 127.181 0.177 18808 543 1 2 . 1 1 40 40 ILE CB C 40 36.993 36.993 38.482 -1.489 18808 544 1 2 . 1 1 40 40 ILE H H 40 8.254 8.254 8.146 0.108 18808 545 1 2 . 1 1 42 42 PRO CA C 42 62.198 62.198 62.872 -0.674 18808 546 1 2 . 1 1 42 42 PRO CB C 42 31.440 31.440 31.016 0.424 18808 547 1 2 . 1 1 43 43 GLY N N 43 107.143 107.143 112.513 -5.370 18808 548 1 2 . 1 1 43 43 GLY CA C 43 45.443 45.443 44.902 0.541 18808 549 1 2 . 1 1 43 43 GLY H H 43 8.405 8.405 8.435 -0.030 18808 550 1 2 . 1 1 44 44 LEU N N 44 120.813 120.813 122.383 -1.570 18808 551 1 2 . 1 1 44 44 LEU CA C 44 54.142 54.142 54.190 -0.048 18808 552 1 2 . 1 1 44 44 LEU H H 44 8.148 8.148 8.001 0.147 18808 553 1 2 . 1 1 45 45 THR N N 45 113.080 113.080 115.089 -2.009 18808 554 1 2 . 1 1 45 45 THR CA C 45 60.668 60.668 61.012 -0.344 18808 555 1 2 . 1 1 45 45 THR CB C 45 70.540 70.540 70.712 -0.172 18808 556 1 2 . 1 1 45 45 THR H H 45 8.571 8.571 8.290 0.281 18808 557 1 2 . 1 1 46 46 ARG N N 46 120.920 120.920 122.817 -1.897 18808 558 1 2 . 1 1 46 46 ARG CA C 46 59.422 59.422 59.263 0.159 18808 559 1 2 . 1 1 46 46 ARG CB C 46 28.617 28.617 29.326 -0.709 18808 560 1 2 . 1 1 46 46 ARG H H 46 8.814 8.814 8.980 -0.166 18808 561 1 2 . 1 1 47 47 GLU N N 47 119.131 119.131 119.262 -0.131 18808 562 1 2 . 1 1 47 47 GLU CA C 47 59.797 59.797 59.691 0.105 18808 563 1 2 . 1 1 47 47 GLU CB C 47 28.200 28.200 28.676 -0.476 18808 564 1 2 . 1 1 47 47 GLU H H 47 8.836 8.836 8.618 0.218 18808 565 1 2 . 1 1 48 48 GLN N N 48 119.702 119.702 119.718 -0.016 18808 566 1 2 . 1 1 48 48 GLN CA C 48 57.803 57.803 58.719 -0.916 18808 567 1 2 . 1 1 48 48 GLN CB C 48 28.555 28.555 28.477 0.079 18808 568 1 2 . 1 1 48 48 GLN H H 48 7.758 7.758 7.716 0.042 18808 569 1 2 . 1 1 49 49 GLU N N 49 122.252 122.252 119.936 2.316 18808 570 1 2 . 1 1 49 49 GLU CA C 49 59.663 59.663 59.368 0.295 18808 571 1 2 . 1 1 49 49 GLU CB C 49 28.792 28.792 29.170 -0.378 18808 572 1 2 . 1 1 49 49 GLU H H 49 8.885 8.885 8.673 0.212 18808 573 1 2 . 1 1 50 50 ARG N N 50 118.823 118.823 119.629 -0.806 18808 574 1 2 . 1 1 50 50 ARG CA C 50 57.785 57.785 58.001 -0.216 18808 575 1 2 . 1 1 50 50 ARG CB C 50 27.889 27.889 29.353 -1.464 18808 576 1 2 . 1 1 50 50 ARG H H 50 7.925 7.925 7.670 0.255 18808 577 1 2 . 1 1 51 51 ALA N N 51 119.205 119.205 123.158 -3.953 18808 578 1 2 . 1 1 51 51 ALA CA C 51 54.557 54.557 55.023 -0.466 18808 579 1 2 . 1 1 51 51 ALA CB C 51 17.465 17.465 18.233 -0.768 18808 580 1 2 . 1 1 51 51 ALA H H 51 7.978 7.978 8.017 -0.039 18808 581 1 2 . 1 1 52 52 TYR N N 52 119.802 119.802 120.240 -0.438 18808 582 1 2 . 1 1 52 52 TYR CA C 52 61.401 61.401 62.067 -0.666 18808 583 1 2 . 1 1 52 52 TYR H H 52 7.976 7.976 8.129 -0.153 18808 584 1 2 . 1 1 53 53 ILE N N 53 118.566 118.566 118.967 -0.401 18808 585 1 2 . 1 1 53 53 ILE CA C 53 63.981 63.981 65.737 -1.756 18808 586 1 2 . 1 1 53 53 ILE CB C 53 37.334 37.334 38.228 -0.894 18808 587 1 2 . 1 1 53 53 ILE H H 53 7.934 7.934 8.180 -0.246 18808 588 1 2 . 1 1 54 54 VAL N N 54 121.327 121.327 116.771 4.556 18808 589 1 2 . 1 1 54 54 VAL HA H 54 3.531 3.531 3.481 0.050 18808 590 1 2 . 1 1 54 54 VAL CA C 54 66.363 66.363 66.316 0.048 18808 591 1 2 . 1 1 54 54 VAL H H 54 8.563 8.563 8.537 0.026 18808 592 1 2 . 1 1 55 55 GLN N N 55 119.475 119.475 120.827 -1.352 18808 593 1 2 . 1 1 55 55 GLN CA C 55 59.584 59.584 58.966 0.618 18808 594 1 2 . 1 1 55 55 GLN CB C 55 27.312 27.312 28.875 -1.563 18808 595 1 2 . 1 1 55 55 GLN H H 55 8.207 8.207 8.115 0.092 18808 596 1 2 . 1 1 56 56 LEU N N 56 120.914 120.914 117.152 3.762 18808 597 1 2 . 1 1 56 56 LEU H H 56 7.780 7.780 7.363 0.417 18808 598 1 2 . 1 1 57 57 GLN N N 57 122.652 122.652 119.367 3.285 18808 599 1 2 . 1 1 57 57 GLN CA C 57 58.722 58.722 58.111 0.611 18808 600 1 2 . 1 1 57 57 GLN H H 57 8.363 8.363 7.691 0.672 18808 601 1 2 . 1 1 58 58 ILE N N 58 120.955 120.955 120.986 -0.031 18808 602 1 2 . 1 1 58 58 ILE CA C 58 66.631 66.631 66.012 0.619 18808 603 1 2 . 1 1 58 58 ILE H H 58 8.876 8.876 8.704 0.172 18808 604 1 2 . 1 1 59 59 GLU N N 59 122.355 122.355 119.214 3.141 18808 605 1 2 . 1 1 59 59 GLU CA C 59 59.308 59.308 59.590 -0.282 18808 606 1 2 . 1 1 59 59 GLU CB C 59 29.193 29.193 29.059 0.134 18808 607 1 2 . 1 1 59 59 GLU H H 59 8.365 8.365 8.470 -0.105 18808 608 1 2 . 1 1 61 61 LEU CA C 61 57.885 57.885 57.810 0.075 18808 609 1 2 . 1 1 62 62 THR N N 62 115.812 115.812 114.732 1.080 18808 610 1 2 . 1 1 62 62 THR HA H 62 3.804 3.804 3.960 -0.156 18808 611 1 2 . 1 1 62 62 THR CA C 62 67.067 67.067 66.694 0.373 18808 612 1 2 . 1 1 62 62 THR CB C 62 68.378 68.378 68.308 0.070 18808 613 1 2 . 1 1 62 62 THR H H 62 8.417 8.417 8.299 0.118 18808 614 1 2 . 1 1 65 65 LEU N N 65 118.411 118.411 115.367 3.044 18808 615 1 2 . 1 1 65 65 LEU CA C 65 56.765 56.765 57.371 -0.606 18808 616 1 2 . 1 1 65 65 LEU H H 65 8.196 8.196 7.671 0.525 18808 617 1 2 . 1 1 66 66 ARG N N 66 119.024 119.024 118.254 0.770 18808 618 1 2 . 1 1 66 66 ARG CA C 66 57.751 57.751 58.478 -0.727 18808 619 1 2 . 1 1 66 66 ARG CB C 66 29.682 29.682 30.537 -0.855 18808 620 1 2 . 1 1 66 66 ARG H H 66 8.199 8.199 8.210 -0.011 18808 621 1 2 . 1 1 67 67 THR N N 67 109.711 109.711 110.521 -0.810 18808 622 1 2 . 1 1 67 67 THR HA H 67 4.357 4.357 4.461 -0.104 18808 623 1 2 . 1 1 67 67 THR CA C 67 62.199 62.199 61.585 0.614 18808 624 1 2 . 1 1 67 67 THR CB C 67 70.266 70.266 70.261 0.005 18808 625 1 2 . 1 1 67 67 THR H H 67 7.993 7.993 8.153 -0.160 18808 626 1 2 . 1 1 68 68 GLY N N 68 110.782 110.782 110.021 0.761 18808 627 1 2 . 1 1 68 68 GLY CA C 68 45.519 45.519 45.031 0.488 18808 628 1 2 . 1 1 68 68 GLY H H 68 8.065 8.065 7.839 0.226 18808 629 1 2 . 1 1 69 69 ASP N N 69 121.620 121.620 120.786 0.834 18808 630 1 2 . 1 1 69 69 ASP CA C 69 53.196 53.196 53.655 -0.459 18808 631 1 2 . 1 1 69 69 ASP CB C 69 39.719 39.719 40.677 -0.958 18808 632 1 2 . 1 1 69 69 ASP H H 69 8.096 8.096 7.843 0.253 18808 633 1 2 . 1 1 70 70 LEU N N 70 120.862 120.862 121.912 -1.050 18808 634 1 2 . 1 1 70 70 LEU CA C 70 54.820 54.820 53.762 1.058 18808 635 1 2 . 1 1 70 70 LEU H H 70 8.023 8.023 7.735 0.288 18808 636 1 2 . 1 1 71 71 GLY N N 71 108.143 108.143 106.699 1.444 18808 637 1 2 . 1 1 71 71 GLY CA C 71 45.026 45.026 44.868 0.158 18808 638 1 2 . 1 1 71 71 GLY H H 71 8.433 8.433 7.901 0.532 18808 639 1 2 . 1 1 72 72 ILE N N 72 121.288 121.288 117.828 3.460 18808 640 1 2 . 1 1 72 72 ILE CA C 72 58.132 58.132 57.846 0.286 18808 641 1 2 . 1 1 72 72 ILE CB C 72 37.749 37.749 38.273 -0.524 18808 642 1 2 . 1 1 72 72 ILE H H 72 7.863 7.863 7.473 0.390 18808 643 1 2 . 1 1 73 73 PRO HA H 73 4.665 4.665 4.689 -0.024 18808 644 1 2 . 1 1 73 73 PRO CA C 73 61.094 61.094 61.697 -0.603 18808 645 1 2 . 1 1 74 74 PRO CA C 74 62.599 62.599 63.391 -0.792 18808 646 1 2 . 1 1 74 74 PRO CB C 74 31.140 31.140 32.527 -1.387 18808 647 1 2 . 1 1 75 75 ASN N N 75 119.457 119.457 119.541 -0.084 18808 648 1 2 . 1 1 75 75 ASN HA H 75 4.972 4.972 4.456 0.516 18808 649 1 2 . 1 1 75 75 ASN CA C 75 50.708 50.708 53.487 -2.779 18808 650 1 2 . 1 1 75 75 ASN CB C 75 38.220 38.220 37.836 0.384 18808 651 1 2 . 1 1 75 75 ASN H H 75 8.476 8.476 8.246 0.230 18808 652 1 2 . 1 1 76 76 PRO HA H 76 4.331 4.331 4.450 -0.119 18808 653 1 2 . 1 1 76 76 PRO CA C 76 63.643 63.643 64.408 -0.765 18808 654 1 2 . 1 1 76 76 PRO CB C 76 31.191 31.191 32.413 -1.222 18808 655 1 2 . 1 1 77 77 GLU N N 77 118.567 118.567 118.311 0.256 18808 656 1 2 . 1 1 77 77 GLU HA H 77 4.223 4.223 4.565 -0.342 18808 657 1 2 . 1 1 77 77 GLU CA C 77 56.457 56.457 55.118 1.339 18808 658 1 2 . 1 1 77 77 GLU CB C 77 28.811 28.811 31.785 -2.974 18808 659 1 2 . 1 1 77 77 GLU H H 77 8.491 8.491 7.614 0.877 18808 660 1 2 . 1 1 78 78 ASP N N 78 120.557 120.557 118.789 1.768 18808 661 1 2 . 1 1 78 78 ASP CA C 78 54.073 54.073 55.036 -0.963 18808 662 1 2 . 1 1 78 78 ASP CB C 78 40.455 40.455 42.432 -1.977 18808 663 1 2 . 1 1 78 78 ASP H H 78 8.015 8.015 8.630 -0.615 18808 664 1 2 . 1 1 79 79 ARG N N 79 121.090 121.090 122.026 -0.936 18808 665 1 2 . 1 1 79 79 ARG CA C 79 55.406 55.406 56.103 -0.697 18808 666 1 2 . 1 1 79 79 ARG CB C 79 29.636 29.636 30.089 -0.453 18808 667 1 2 . 1 1 79 79 ARG H H 79 8.120 8.120 8.219 -0.099 18808 668 1 2 . 1 1 80 80 SER N N 80 118.342 118.342 121.552 -3.210 18808 669 1 2 . 1 1 80 80 SER HA H 80 4.704 4.704 4.779 -0.075 18808 670 1 2 . 1 1 80 80 SER CA C 80 56.232 56.232 57.085 -0.853 18808 671 1 2 . 1 1 80 80 SER CB C 80 62.761 62.761 64.897 -2.136 18808 672 1 2 . 1 1 80 80 SER H H 80 8.337 8.337 8.495 -0.158 18808 673 1 2 . 1 1 81 81 PRO CA C 81 62.870 62.870 62.885 -0.015 18808 674 1 2 . 1 1 81 81 PRO CB C 81 31.134 31.134 32.150 -1.016 18808 675 1 2 . 1 1 82 82 SER N N 82 117.424 117.424 119.559 -2.135 18808 676 1 2 . 1 1 82 82 SER HA H 82 4.726 4.726 4.719 0.007 18808 677 1 2 . 1 1 82 82 SER CA C 82 55.808 55.808 56.295 -0.487 18808 678 1 2 . 1 1 82 82 SER CB C 82 62.903 62.903 63.983 -1.080 18808 679 1 2 . 1 1 82 82 SER H H 82 8.358 8.358 8.272 0.086 18808 680 1 2 . 1 1 83 83 PRO CA C 83 62.778 62.778 62.875 -0.097 18808 681 1 2 . 1 1 84 84 GLU N N 84 122.184 122.184 122.412 -0.228 18808 682 1 2 . 1 1 84 84 GLU HA H 84 4.539 4.539 4.623 -0.084 18808 683 1 2 . 1 1 84 84 GLU CA C 84 53.934 53.934 53.517 0.417 18808 684 1 2 . 1 1 84 84 GLU CB C 84 28.861 28.861 31.448 -2.587 18808 685 1 2 . 1 1 84 84 GLU H H 84 8.295 8.295 8.453 -0.158 18808 686 1 2 . 1 1 85 85 PRO CA C 85 62.675 62.675 62.537 0.138 18808 687 1 2 . 1 1 85 85 PRO CB C 85 31.123 31.123 31.995 -0.873 18808 688 1 2 . 1 1 86 86 ILE N N 86 120.522 120.522 123.647 -3.125 18808 689 1 2 . 1 1 86 86 ILE CA C 86 60.553 60.553 60.952 -0.399 18808 690 1 2 . 1 1 86 86 ILE CB C 86 38.305 38.305 38.108 0.198 18808 691 1 2 . 1 1 86 86 ILE H H 86 8.052 8.052 8.403 -0.351 18808 692 1 2 . 1 1 87 87 TYR N N 87 123.178 123.178 125.567 -2.389 18808 693 1 2 . 1 1 87 87 TYR HA H 87 4.905 4.905 4.252 0.653 18808 694 1 2 . 1 1 87 87 TYR CA C 87 56.744 56.744 58.005 -1.261 18808 695 1 2 . 1 1 87 87 TYR CB C 87 39.324 39.324 38.368 0.956 18808 696 1 2 . 1 1 87 87 TYR H H 87 8.272 8.272 8.432 -0.160 18808 697 1 2 . 1 1 88 88 ASN N N 88 120.123 120.123 123.645 -3.522 18808 698 1 2 . 1 1 88 88 ASN HA H 88 4.801 4.801 4.741 0.060 18808 699 1 2 . 1 1 88 88 ASN CA C 88 51.734 51.734 52.846 -1.111 18808 700 1 2 . 1 1 88 88 ASN CB C 88 38.209 38.209 38.219 -0.010 18808 701 1 2 . 1 1 88 88 ASN H H 88 8.466 8.466 8.277 0.189 18808 702 1 2 . 1 1 89 89 SER N N 89 115.872 115.872 118.151 -2.279 18808 703 1 2 . 1 1 89 89 SER HA H 89 4.276 4.276 4.181 0.095 18808 704 1 2 . 1 1 89 89 SER CA C 89 59.589 59.589 59.753 -0.164 18808 705 1 2 . 1 1 89 89 SER CB C 89 62.695 62.695 63.836 -1.141 18808 706 1 2 . 1 1 89 89 SER H H 89 8.460 8.460 8.520 -0.060 18808 707 1 2 . 1 1 90 90 GLU CA C 90 56.320 56.320 55.911 0.409 18808 708 1 2 . 1 1 90 90 GLU CB C 90 29.074 29.074 29.726 -0.652 18808 709 1 2 . 1 1 91 91 GLY N N 91 108.520 108.520 112.243 -3.723 18808 710 1 2 . 1 1 91 91 GLY CA C 91 45.175 45.175 45.014 0.161 18808 711 1 2 . 1 1 91 91 GLY H H 91 8.245 8.245 8.591 -0.346 18808 712 1 2 . 1 1 92 92 LYS N N 92 120.880 120.880 123.747 -2.867 18808 713 1 2 . 1 1 92 92 LYS CA C 92 55.393 55.393 54.977 0.416 18808 714 1 2 . 1 1 92 92 LYS CB C 92 32.047 32.047 34.545 -2.498 18808 715 1 2 . 1 1 92 92 LYS H H 92 8.022 8.022 7.528 0.494 18808 716 1 2 . 1 1 93 93 ARG N N 93 123.484 123.484 122.470 1.014 18808 717 1 2 . 1 1 93 93 ARG HA H 93 4.230 4.230 4.266 -0.036 18808 718 1 2 . 1 1 93 93 ARG CA C 93 55.894 55.894 56.009 -0.115 18808 719 1 2 . 1 1 93 93 ARG CB C 93 30.480 30.480 30.535 -0.055 18808 720 1 2 . 1 1 93 93 ARG H H 93 8.476 8.476 8.380 0.096 18808 721 1 2 . 1 1 94 94 LEU N N 94 124.336 124.336 117.077 7.259 18808 722 1 2 . 1 1 94 94 LEU HA H 94 4.323 4.323 4.037 0.286 18808 723 1 2 . 1 1 94 94 LEU CA C 94 54.606 54.606 54.997 -0.391 18808 724 1 2 . 1 1 94 94 LEU H H 94 8.391 8.391 8.179 0.212 18808 725 1 2 . 1 1 95 95 ASN N N 95 119.662 119.662 116.788 2.874 18808 726 1 2 . 1 1 95 95 ASN HA H 95 4.793 4.793 4.861 -0.068 18808 727 1 2 . 1 1 95 95 ASN CA C 95 52.490 52.490 53.353 -0.863 18808 728 1 2 . 1 1 95 95 ASN CB C 95 38.070 38.070 38.867 -0.797 18808 729 1 2 . 1 1 95 95 ASN H H 95 8.533 8.533 7.754 0.779 18808 730 1 2 . 1 1 96 96 THR N N 96 114.180 114.180 117.667 -3.487 18808 731 1 2 . 1 1 96 96 THR CA C 96 62.469 62.469 63.450 -0.981 18808 732 1 2 . 1 1 96 96 THR H H 96 8.128 8.128 8.114 0.014 18808 733 1 2 . 1 1 97 97 ARG N N 97 122.577 122.577 121.877 0.700 18808 734 1 2 . 1 1 97 97 ARG CA C 97 58.053 58.053 59.744 -1.691 18808 735 1 2 . 1 1 97 97 ARG H H 97 8.626 8.626 8.654 -0.028 18808 736 1 2 . 1 1 98 98 GLU N N 98 121.594 121.594 121.136 0.458 18808 737 1 2 . 1 1 98 98 GLU CA C 98 58.320 58.320 59.743 -1.423 18808 738 1 2 . 1 1 98 98 GLU H H 98 8.607 8.607 8.559 0.048 18808 739 1 2 . 1 1 100 100 ARG CA C 100 58.113 58.113 60.107 -1.994 18808 740 1 2 . 1 1 101 101 THR N N 101 115.806 115.806 116.543 -0.737 18808 741 1 2 . 1 1 101 101 THR HA H 101 3.987 3.987 4.026 -0.039 18808 742 1 2 . 1 1 101 101 THR CA C 101 64.627 64.627 66.926 -2.299 18808 743 1 2 . 1 1 101 101 THR H H 101 8.091 8.091 7.981 0.110 18808 744 1 2 . 1 1 102 102 ARG N N 102 122.017 122.017 120.643 1.374 18808 745 1 2 . 1 1 102 102 ARG CA C 102 60.055 60.055 59.784 0.271 18808 746 1 2 . 1 1 102 102 ARG H H 102 8.430 8.430 8.447 -0.017 18808 747 1 2 . 1 1 103 103 LYS N N 103 117.689 117.689 119.778 -2.089 18808 748 1 2 . 1 1 103 103 LYS CA C 103 58.573 58.573 58.222 0.351 18808 749 1 2 . 1 1 103 103 LYS H H 103 7.975 7.975 8.270 -0.295 18808 750 1 2 . 1 1 104 104 LYS N N 104 119.765 119.765 119.848 -0.083 18808 751 1 2 . 1 1 104 104 LYS CA C 104 58.500 58.500 58.691 -0.191 18808 752 1 2 . 1 1 104 104 LYS CB C 104 31.083 31.083 31.775 -0.692 18808 753 1 2 . 1 1 104 104 LYS H H 104 7.674 7.674 7.568 0.106 18808 754 1 2 . 1 1 105 105 LEU N N 105 120.812 120.812 118.730 2.082 18808 755 1 2 . 1 1 105 105 LEU CA C 105 57.813 57.813 58.255 -0.442 18808 756 1 2 . 1 1 105 105 LEU H H 105 8.120 8.120 8.027 0.093 18808 757 1 2 . 1 1 106 106 GLU N N 106 118.877 118.877 118.884 -0.007 18808 758 1 2 . 1 1 106 106 GLU CA C 106 59.150 59.150 59.745 -0.595 18808 759 1 2 . 1 1 106 106 GLU CB C 106 29.012 29.012 29.228 -0.216 18808 760 1 2 . 1 1 106 106 GLU H H 106 8.707 8.707 8.018 0.689 18808 761 1 2 . 1 1 107 107 GLU N N 107 122.176 122.176 118.947 3.229 18808 762 1 2 . 1 1 107 107 GLU H H 107 8.357 8.357 8.226 0.131 18808 763 1 2 . 1 1 108 108 GLU N N 108 121.565 121.565 119.684 1.881 18808 764 1 2 . 1 1 108 108 GLU H H 108 8.322 8.322 8.019 0.303 18808 765 1 2 . 1 1 109 109 ARG N N 109 118.431 118.431 119.879 -1.448 18808 766 1 2 . 1 1 109 109 ARG H H 109 8.613 8.613 8.209 0.404 18808 767 1 2 . 1 1 110 110 HIS N N 110 119.577 119.577 118.337 1.240 18808 768 1 2 . 1 1 110 110 HIS CA C 110 60.031 60.031 59.072 0.959 18808 769 1 2 . 1 1 110 110 HIS H H 110 8.541 8.541 8.555 -0.014 18808 770 1 2 . 1 1 111 111 ASN N N 111 119.551 119.551 118.420 1.131 18808 771 1 2 . 1 1 111 111 ASN CB C 111 36.981 36.981 38.304 -1.323 18808 772 1 2 . 1 1 111 111 ASN H H 111 8.401 8.401 8.149 0.252 18808 773 1 2 . 1 1 112 112 LEU N N 112 121.995 121.995 119.932 2.063 18808 774 1 2 . 1 1 112 112 LEU CA C 112 57.434 57.434 57.685 -0.251 18808 775 1 2 . 1 1 112 112 LEU H H 112 8.088 8.088 7.570 0.518 18808 776 1 2 . 1 1 113 113 ILE N N 113 121.510 121.510 120.865 0.645 18808 777 1 2 . 1 1 113 113 ILE CA C 113 65.489 65.489 64.697 0.792 18808 778 1 2 . 1 1 113 113 ILE H H 113 8.527 8.527 8.590 -0.063 18808 779 1 2 . 1 1 114 114 THR N N 114 115.127 115.127 115.398 -0.271 18808 780 1 2 . 1 1 114 114 THR HA H 114 3.748 3.748 3.983 -0.235 18808 781 1 2 . 1 1 114 114 THR CA C 114 66.173 66.173 67.369 -1.196 18808 782 1 2 . 1 1 114 114 THR CB C 114 68.210 68.210 68.162 0.048 18808 783 1 2 . 1 1 114 114 THR H H 114 8.102 8.102 8.387 -0.285 18808 784 1 2 . 1 1 115 115 GLU N N 115 123.316 123.316 122.223 1.093 18808 785 1 2 . 1 1 115 115 GLU CA C 115 58.663 58.663 59.247 -0.584 18808 786 1 2 . 1 1 115 115 GLU CB C 115 28.390 28.390 29.432 -1.042 18808 787 1 2 . 1 1 115 115 GLU H H 115 7.473 7.473 7.508 -0.035 18808 788 1 2 . 1 1 116 116 MET N N 116 119.934 119.934 119.903 0.031 18808 789 1 2 . 1 1 116 116 MET CA C 116 56.561 56.561 59.238 -2.677 18808 790 1 2 . 1 1 116 116 MET H H 116 8.442 8.442 8.528 -0.086 18808 791 1 2 . 1 1 117 117 VAL N N 117 117.688 117.688 119.894 -2.206 18808 792 1 2 . 1 1 117 117 VAL HA H 117 3.946 3.946 4.224 -0.278 18808 793 1 2 . 1 1 117 117 VAL CA C 117 61.989 61.989 66.144 -4.155 18808 794 1 2 . 1 1 117 117 VAL H H 117 8.332 8.332 8.657 -0.325 18808 795 1 2 . 1 1 118 118 ALA N N 118 120.568 120.568 121.932 -1.364 18808 796 1 2 . 1 1 118 118 ALA HA H 118 4.173 4.173 4.154 0.019 18808 797 1 2 . 1 1 118 118 ALA CA C 118 53.531 53.531 54.879 -1.348 18808 798 1 2 . 1 1 118 118 ALA CB C 118 17.606 17.606 18.663 -1.057 18808 799 1 2 . 1 1 118 118 ALA H H 118 7.143 7.143 7.512 -0.369 18808 800 1 2 . 1 1 119 119 LEU N N 119 118.032 118.032 116.889 1.143 18808 801 1 2 . 1 1 119 119 LEU CA C 119 56.245 56.245 56.683 -0.438 18808 802 1 2 . 1 1 119 119 LEU H H 119 7.585 7.585 7.867 -0.282 18808 803 1 2 . 1 1 120 120 ASN N N 120 115.407 115.407 115.863 -0.456 18808 804 1 2 . 1 1 120 120 ASN HA H 120 5.065 5.065 5.154 -0.089 18808 805 1 2 . 1 1 120 120 ASN CA C 120 49.613 49.613 50.320 -0.707 18808 806 1 2 . 1 1 120 120 ASN CB C 120 38.651 38.651 40.706 -2.055 18808 807 1 2 . 1 1 120 120 ASN H H 120 8.512 8.512 8.071 0.441 18808 808 1 2 . 1 1 121 121 PRO HA H 121 4.711 4.711 4.585 0.126 18808 809 1 2 . 1 1 121 121 PRO CA C 121 63.796 63.796 64.617 -0.821 18808 810 1 2 . 1 1 121 121 PRO CB C 121 31.383 31.383 32.358 -0.974 18808 811 1 2 . 1 1 122 122 ASP N N 122 115.768 115.768 117.521 -1.753 18808 812 1 2 . 1 1 122 122 ASP CA C 122 53.863 53.863 53.743 0.119 18808 813 1 2 . 1 1 122 122 ASP CB C 122 40.647 40.647 41.577 -0.930 18808 814 1 2 . 1 1 122 122 ASP H H 122 7.676 7.676 8.014 -0.338 18808 815 1 2 . 1 1 123 123 PHE N N 123 122.733 122.733 121.681 1.052 18808 816 1 2 . 1 1 123 123 PHE HA H 123 4.181 4.181 4.406 -0.225 18808 817 1 2 . 1 1 123 123 PHE CA C 123 58.501 58.501 58.778 -0.277 18808 818 1 2 . 1 1 123 123 PHE CB C 123 38.660 38.660 39.663 -1.004 18808 819 1 2 . 1 1 123 123 PHE H H 123 7.989 7.989 7.463 0.526 18808 820 1 2 . 1 1 124 124 LYS N N 124 129.392 129.392 128.646 0.746 18808 821 1 2 . 1 1 124 124 LYS HA H 124 4.592 4.592 4.413 0.179 18808 822 1 2 . 1 1 124 124 LYS CA C 124 51.210 51.210 52.008 -0.798 18808 823 1 2 . 1 1 124 124 LYS CB C 124 31.495 31.495 31.913 -0.417 18808 824 1 2 . 1 1 124 124 LYS H H 124 7.686 7.686 8.326 -0.640 18808 825 1 2 . 1 1 125 125 PRO HA H 125 4.139 4.139 4.226 -0.087 18808 826 1 2 . 1 1 125 125 PRO CA C 125 60.556 60.556 61.336 -0.779 18808 827 1 2 . 1 1 126 126 PRO HA H 126 4.771 4.771 4.348 0.423 18808 828 1 2 . 1 1 126 126 PRO CA C 126 62.246 62.246 62.978 -0.732 18808 829 1 2 . 1 1 126 126 PRO CB C 126 31.352 31.352 32.217 -0.865 18808 830 1 2 . 1 1 127 127 ALA N N 127 123.830 123.830 125.017 -1.187 18808 831 1 2 . 1 1 127 127 ALA HA H 127 4.105 4.105 4.104 0.001 18808 832 1 2 . 1 1 127 127 ALA CA C 127 54.149 54.149 53.953 0.196 18808 833 1 2 . 1 1 127 127 ALA CB C 127 18.076 18.076 18.526 -0.450 18808 834 1 2 . 1 1 127 127 ALA H H 127 8.691 8.691 8.510 0.181 18808 835 1 2 . 1 1 128 128 ASP N N 128 112.954 112.954 115.899 -2.945 18808 836 1 2 . 1 1 128 128 ASP CA C 128 53.203 53.203 54.974 -1.771 18808 837 1 2 . 1 1 128 128 ASP CB C 128 39.728 39.728 41.095 -1.367 18808 838 1 2 . 1 1 128 128 ASP H H 128 8.403 8.403 8.389 0.014 18808 839 1 2 . 1 1 129 129 TYR N N 129 121.200 121.200 121.679 -0.479 18808 840 1 2 . 1 1 129 129 TYR CA C 129 57.918 57.918 59.053 -1.135 18808 841 1 2 . 1 1 129 129 TYR CB C 129 38.075 38.075 38.938 -0.863 18808 842 1 2 . 1 1 129 129 TYR H H 129 7.650 7.650 7.427 0.223 18808 843 1 2 . 1 1 130 130 LYS N N 130 129.878 129.878 127.304 2.574 18808 844 1 2 . 1 1 130 130 LYS HA H 130 4.361 4.361 4.332 0.029 18808 845 1 2 . 1 1 130 130 LYS CA C 130 52.063 52.063 52.420 -0.357 18808 846 1 2 . 1 1 130 130 LYS CB C 130 32.565 32.565 32.852 -0.287 18808 847 1 2 . 1 1 130 130 LYS H H 130 7.784 7.784 7.627 0.157 18808 848 1 2 . 1 1 132 132 PRO CA C 132 62.394 62.394 63.245 -0.851 18808 849 1 2 . 1 1 132 132 PRO CB C 132 29.945 29.945 31.040 -1.095 18808 850 1 2 . 1 1 133 133 ALA N N 133 124.238 124.238 127.662 -3.424 18808 851 1 2 . 1 1 133 133 ALA HA H 133 4.293 4.293 4.456 -0.163 18808 852 1 2 . 1 1 133 133 ALA CA C 133 52.004 52.004 53.172 -1.168 18808 853 1 2 . 1 1 133 133 ALA CB C 133 18.521 18.521 20.328 -1.807 18808 854 1 2 . 1 1 133 133 ALA H H 133 8.375 8.375 8.609 -0.234 18808 855 1 3 . 1 1 3 3 THR N N 3 118.281 118.281 111.519 6.762 18808 856 1 3 . 1 1 3 3 THR HA H 3 4.220 4.220 3.974 0.246 18808 857 1 3 . 1 1 3 3 THR CA C 3 61.481 61.481 62.207 -0.726 18808 858 1 3 . 1 1 3 3 THR CB C 3 69.427 69.427 68.889 0.538 18808 859 1 3 . 1 1 3 3 THR H H 3 8.283 8.283 7.680 0.603 18808 860 1 3 . 1 1 4 4 GLY N N 4 111.418 111.418 109.375 2.043 18808 861 1 3 . 1 1 4 4 GLY CA C 4 44.811 44.811 44.308 0.503 18808 862 1 3 . 1 1 4 4 GLY H H 4 8.445 8.445 8.556 -0.111 18808 863 1 3 . 1 1 5 5 ALA N N 5 123.764 123.764 123.482 0.282 18808 864 1 3 . 1 1 5 5 ALA HA H 5 4.324 4.324 3.980 0.344 18808 865 1 3 . 1 1 5 5 ALA CA C 5 52.237 52.237 52.730 -0.493 18808 866 1 3 . 1 1 5 5 ALA CB C 5 18.688 18.688 18.118 0.570 18808 867 1 3 . 1 1 5 5 ALA H H 5 8.229 8.229 8.212 0.017 18808 868 1 3 . 1 1 6 6 ASN N N 6 117.534 117.534 119.198 -1.664 18808 869 1 3 . 1 1 6 6 ASN HA H 6 4.672 4.672 4.506 0.166 18808 870 1 3 . 1 1 6 6 ASN CA C 6 52.760 52.760 53.286 -0.526 18808 871 1 3 . 1 1 6 6 ASN CB C 6 38.294 38.294 38.542 -0.248 18808 872 1 3 . 1 1 6 6 ASN H H 6 8.426 8.426 8.672 -0.246 18808 873 1 3 . 1 1 7 7 ALA N N 7 124.230 124.230 126.085 -1.855 18808 874 1 3 . 1 1 7 7 ALA HA H 7 4.375 4.375 4.654 -0.279 18808 875 1 3 . 1 1 7 7 ALA CA C 7 52.033 52.033 51.452 0.581 18808 876 1 3 . 1 1 7 7 ALA CB C 7 18.611 18.611 20.996 -2.385 18808 877 1 3 . 1 1 7 7 ALA H H 7 8.171 8.171 8.116 0.055 18808 878 1 3 . 1 1 8 8 THR N N 8 116.291 116.291 117.382 -1.091 18808 879 1 3 . 1 1 8 8 THR HA H 8 4.613 4.613 4.566 0.047 18808 880 1 3 . 1 1 8 8 THR CA C 8 59.445 59.445 60.272 -0.827 18808 881 1 3 . 1 1 8 8 THR CB C 8 69.200 69.200 69.129 0.071 18808 882 1 3 . 1 1 8 8 THR H H 8 8.211 8.211 8.174 0.037 18808 883 1 3 . 1 1 9 9 PRO CA C 9 62.885 62.885 62.720 0.165 18808 884 1 3 . 1 1 9 9 PRO CB C 9 31.241 31.241 32.805 -1.564 18808 885 1 3 . 1 1 10 10 LEU N N 10 121.874 121.874 120.845 1.029 18808 886 1 3 . 1 1 10 10 LEU HA H 10 4.257 4.257 4.473 -0.216 18808 887 1 3 . 1 1 10 10 LEU CA C 10 54.751 54.751 54.715 0.035 18808 888 1 3 . 1 1 10 10 LEU H H 10 8.245 8.245 8.294 -0.049 18808 889 1 3 . 1 1 11 11 ASP N N 11 120.266 120.266 119.284 0.982 18808 890 1 3 . 1 1 11 11 ASP CA C 11 53.652 53.652 53.287 0.365 18808 891 1 3 . 1 1 11 11 ASP CB C 11 40.760 40.760 42.128 -1.368 18808 892 1 3 . 1 1 11 11 ASP H H 11 8.091 8.091 7.962 0.129 18808 893 1 3 . 1 1 12 12 PHE N N 12 121.243 121.243 118.771 2.472 18808 894 1 3 . 1 1 12 12 PHE CA C 12 55.502 55.502 55.866 -0.364 18808 895 1 3 . 1 1 12 12 PHE CB C 12 38.370 38.370 39.083 -0.713 18808 896 1 3 . 1 1 12 12 PHE H H 12 8.058 8.058 8.141 -0.083 18808 897 1 3 . 1 1 13 13 PRO CA C 13 63.035 63.035 63.504 -0.469 18808 898 1 3 . 1 1 13 13 PRO CB C 13 31.024 31.024 31.968 -0.944 18808 899 1 3 . 1 1 14 14 SER N N 14 115.993 115.993 118.836 -2.843 18808 900 1 3 . 1 1 14 14 SER CA C 14 58.010 58.010 56.757 1.253 18808 901 1 3 . 1 1 14 14 SER CB C 14 63.227 63.227 64.481 -1.254 18808 902 1 3 . 1 1 14 14 SER H H 14 8.301 8.301 8.265 0.036 18808 903 1 3 . 1 1 15 15 LYS N N 15 123.610 123.610 120.673 2.937 18808 904 1 3 . 1 1 15 15 LYS CA C 15 55.871 55.871 57.629 -1.758 18808 905 1 3 . 1 1 15 15 LYS CB C 15 32.035 32.035 30.779 1.256 18808 906 1 3 . 1 1 15 15 LYS H H 15 8.319 8.319 8.591 -0.272 18808 907 1 3 . 1 1 18 18 LYS CB C 18 32.178 32.178 33.833 -1.655 18808 908 1 3 . 1 1 19 19 ARG N N 19 121.722 121.722 121.942 -0.220 18808 909 1 3 . 1 1 19 19 ARG CA C 19 55.272 55.272 55.462 -0.190 18808 910 1 3 . 1 1 19 19 ARG CB C 19 30.231 30.231 31.697 -1.466 18808 911 1 3 . 1 1 19 19 ARG H H 19 8.327 8.327 8.117 0.210 18808 912 1 3 . 1 1 20 20 SER N N 20 116.915 116.915 120.267 -3.352 18808 913 1 3 . 1 1 20 20 SER CA C 20 56.632 56.632 58.627 -1.995 18808 914 1 3 . 1 1 20 20 SER CB C 20 63.767 63.767 63.770 -0.003 18808 915 1 3 . 1 1 20 20 SER H H 20 8.455 8.455 8.602 -0.147 18808 916 1 3 . 1 1 21 21 ARG N N 21 128.321 128.321 123.199 5.122 18808 917 1 3 . 1 1 21 21 ARG CA C 21 56.363 56.363 56.250 0.113 18808 918 1 3 . 1 1 21 21 ARG CB C 21 27.800 27.800 30.424 -2.624 18808 919 1 3 . 1 1 21 21 ARG H H 21 10.106 10.106 8.790 1.316 18808 920 1 3 . 1 1 22 22 TRP N N 22 122.075 122.075 120.804 1.271 18808 921 1 3 . 1 1 22 22 TRP CA C 22 57.297 57.297 56.861 0.436 18808 922 1 3 . 1 1 22 22 TRP CB C 22 28.494 28.494 28.653 -0.159 18808 923 1 3 . 1 1 22 22 TRP H H 22 8.077 8.077 8.091 -0.014 18808 924 1 3 . 1 1 23 23 ASN N N 23 122.985 122.985 120.597 2.388 18808 925 1 3 . 1 1 23 23 ASN CA C 23 53.861 53.861 53.592 0.269 18808 926 1 3 . 1 1 23 23 ASN CB C 23 38.205 38.205 39.522 -1.317 18808 927 1 3 . 1 1 23 23 ASN H H 23 8.817 8.817 8.245 0.572 18808 928 1 3 . 1 1 24 24 GLN N N 24 122.244 122.244 115.755 6.489 18808 929 1 3 . 1 1 24 24 GLN CA C 24 55.338 55.338 56.224 -0.886 18808 930 1 3 . 1 1 24 24 GLN CB C 24 28.621 28.621 29.002 -0.381 18808 931 1 3 . 1 1 24 24 GLN H H 24 8.795 8.795 8.372 0.423 18808 932 1 3 . 1 1 25 25 ASP N N 25 122.220 122.220 122.441 -0.221 18808 933 1 3 . 1 1 25 25 ASP CA C 25 53.994 53.994 54.268 -0.274 18808 934 1 3 . 1 1 25 25 ASP CB C 25 40.463 40.463 42.032 -1.569 18808 935 1 3 . 1 1 25 25 ASP H H 25 8.612 8.612 8.009 0.603 18808 936 1 3 . 1 1 26 26 THR N N 26 114.228 114.228 117.277 -3.049 18808 937 1 3 . 1 1 26 26 THR CA C 26 61.524 61.524 60.395 1.129 18808 938 1 3 . 1 1 26 26 THR CB C 26 69.198 69.198 71.284 -2.086 18808 939 1 3 . 1 1 26 26 THR H H 26 8.158 8.158 8.405 -0.247 18808 940 1 3 . 1 1 27 27 MET N N 27 121.829 121.829 116.166 5.663 18808 941 1 3 . 1 1 27 27 MET CA C 27 55.546 55.546 56.310 -0.764 18808 942 1 3 . 1 1 27 27 MET CB C 27 31.644 31.644 33.145 -1.501 18808 943 1 3 . 1 1 27 27 MET H H 27 8.438 8.438 8.276 0.162 18808 944 1 3 . 1 1 30 30 LYS CA C 30 55.776 55.776 58.249 -2.473 18808 945 1 3 . 1 1 30 30 LYS CB C 30 32.174 32.174 32.757 -0.583 18808 946 1 3 . 1 1 31 31 THR N N 31 116.696 116.696 108.150 8.546 18808 947 1 3 . 1 1 31 31 THR CA C 31 61.760 61.760 62.012 -0.252 18808 948 1 3 . 1 1 31 31 THR CB C 31 69.262 69.262 69.884 -0.622 18808 949 1 3 . 1 1 31 31 THR H H 31 8.214 8.214 7.979 0.235 18808 950 1 3 . 1 1 32 32 VAL N N 32 124.581 124.581 123.600 0.981 18808 951 1 3 . 1 1 32 32 VAL CA C 32 61.964 61.964 62.382 -0.418 18808 952 1 3 . 1 1 32 32 VAL H H 32 8.262 8.262 7.713 0.549 18808 953 1 3 . 1 1 33 33 ILE N N 33 128.095 128.095 120.525 7.570 18808 954 1 3 . 1 1 33 33 ILE CA C 33 57.573 57.573 57.389 0.184 18808 955 1 3 . 1 1 33 33 ILE H H 33 8.606 8.606 7.896 0.710 18808 956 1 3 . 1 1 34 34 PRO CA C 34 63.255 63.255 62.752 0.503 18808 957 1 3 . 1 1 34 34 PRO CB C 34 31.086 31.086 32.556 -1.470 18808 958 1 3 . 1 1 35 35 GLY N N 35 110.169 110.169 106.964 3.205 18808 959 1 3 . 1 1 35 35 GLY CA C 35 44.668 44.668 45.091 -0.423 18808 960 1 3 . 1 1 35 35 GLY H H 35 8.468 8.468 8.291 0.177 18808 961 1 3 . 1 1 36 36 MET N N 36 121.185 121.185 118.447 2.738 18808 962 1 3 . 1 1 36 36 MET HA H 36 4.833 4.833 4.867 -0.034 18808 963 1 3 . 1 1 36 36 MET CA C 36 52.739 52.739 55.818 -3.079 18808 964 1 3 . 1 1 36 36 MET CB C 36 32.162 32.162 33.444 -1.282 18808 965 1 3 . 1 1 36 36 MET H H 36 8.235 8.235 8.575 -0.340 18808 966 1 3 . 1 1 38 38 THR N N 38 113.487 113.487 112.935 0.552 18808 967 1 3 . 1 1 38 38 THR H H 38 8.286 8.286 8.599 -0.313 18808 968 1 3 . 1 1 39 39 VAL CA C 39 61.780 61.780 63.114 -1.334 18808 969 1 3 . 1 1 40 40 ILE N N 40 127.358 127.358 126.916 0.442 18808 970 1 3 . 1 1 40 40 ILE CB C 40 36.993 36.993 38.865 -1.872 18808 971 1 3 . 1 1 40 40 ILE H H 40 8.254 8.254 7.993 0.261 18808 972 1 3 . 1 1 42 42 PRO CA C 42 62.198 62.198 63.206 -1.008 18808 973 1 3 . 1 1 42 42 PRO CB C 42 31.440 31.440 31.147 0.293 18808 974 1 3 . 1 1 43 43 GLY N N 43 107.143 107.143 112.606 -5.463 18808 975 1 3 . 1 1 43 43 GLY CA C 43 45.443 45.443 44.726 0.717 18808 976 1 3 . 1 1 43 43 GLY H H 43 8.405 8.405 8.491 -0.086 18808 977 1 3 . 1 1 44 44 LEU N N 44 120.813 120.813 120.518 0.295 18808 978 1 3 . 1 1 44 44 LEU CA C 44 54.142 54.142 53.880 0.262 18808 979 1 3 . 1 1 44 44 LEU H H 44 8.148 8.148 7.751 0.397 18808 980 1 3 . 1 1 45 45 THR N N 45 113.080 113.080 113.003 0.077 18808 981 1 3 . 1 1 45 45 THR CA C 45 60.668 60.668 60.896 -0.228 18808 982 1 3 . 1 1 45 45 THR CB C 45 70.540 70.540 71.056 -0.516 18808 983 1 3 . 1 1 45 45 THR H H 45 8.571 8.571 8.362 0.209 18808 984 1 3 . 1 1 46 46 ARG N N 46 120.920 120.920 124.030 -3.110 18808 985 1 3 . 1 1 46 46 ARG CA C 46 59.422 59.422 58.703 0.719 18808 986 1 3 . 1 1 46 46 ARG CB C 46 28.617 28.617 29.274 -0.657 18808 987 1 3 . 1 1 46 46 ARG H H 46 8.814 8.814 8.949 -0.135 18808 988 1 3 . 1 1 47 47 GLU N N 47 119.131 119.131 118.975 0.156 18808 989 1 3 . 1 1 47 47 GLU CA C 47 59.797 59.797 59.669 0.128 18808 990 1 3 . 1 1 47 47 GLU CB C 47 28.200 28.200 28.653 -0.453 18808 991 1 3 . 1 1 47 47 GLU H H 47 8.836 8.836 8.708 0.128 18808 992 1 3 . 1 1 48 48 GLN N N 48 119.702 119.702 119.708 -0.006 18808 993 1 3 . 1 1 48 48 GLN CA C 48 57.803 57.803 58.648 -0.845 18808 994 1 3 . 1 1 48 48 GLN CB C 48 28.555 28.555 28.303 0.252 18808 995 1 3 . 1 1 48 48 GLN H H 48 7.758 7.758 7.881 -0.123 18808 996 1 3 . 1 1 49 49 GLU N N 49 122.252 122.252 120.262 1.990 18808 997 1 3 . 1 1 49 49 GLU CA C 49 59.663 59.663 59.621 0.042 18808 998 1 3 . 1 1 49 49 GLU CB C 49 28.792 28.792 29.423 -0.631 18808 999 1 3 . 1 1 49 49 GLU H H 49 8.885 8.885 8.594 0.291 18808 1000 1 3 . 1 1 50 50 ARG N N 50 118.823 118.823 118.775 0.048 18808 1001 1 3 . 1 1 50 50 ARG CA C 50 57.785 57.785 58.215 -0.430 18808 1002 1 3 . 1 1 50 50 ARG CB C 50 27.889 27.889 29.427 -1.538 18808 1003 1 3 . 1 1 50 50 ARG H H 50 7.925 7.925 7.621 0.304 18808 1004 1 3 . 1 1 51 51 ALA N N 51 119.205 119.205 123.129 -3.924 18808 1005 1 3 . 1 1 51 51 ALA CA C 51 54.557 54.557 55.044 -0.487 18808 1006 1 3 . 1 1 51 51 ALA CB C 51 17.465 17.465 18.235 -0.770 18808 1007 1 3 . 1 1 51 51 ALA H H 51 7.978 7.978 8.034 -0.056 18808 1008 1 3 . 1 1 52 52 TYR N N 52 119.802 119.802 119.837 -0.035 18808 1009 1 3 . 1 1 52 52 TYR CA C 52 61.401 61.401 61.229 0.172 18808 1010 1 3 . 1 1 52 52 TYR H H 52 7.976 7.976 8.190 -0.214 18808 1011 1 3 . 1 1 53 53 ILE N N 53 118.566 118.566 118.437 0.129 18808 1012 1 3 . 1 1 53 53 ILE CA C 53 63.981 63.981 62.193 1.788 18808 1013 1 3 . 1 1 53 53 ILE CB C 53 37.334 37.334 37.264 0.070 18808 1014 1 3 . 1 1 53 53 ILE H H 53 7.934 7.934 7.857 0.077 18808 1015 1 3 . 1 1 54 54 VAL N N 54 121.327 121.327 118.678 2.649 18808 1016 1 3 . 1 1 54 54 VAL HA H 54 3.531 3.531 4.068 -0.537 18808 1017 1 3 . 1 1 54 54 VAL CA C 54 66.363 66.363 65.162 1.201 18808 1018 1 3 . 1 1 54 54 VAL H H 54 8.563 8.563 8.544 0.019 18808 1019 1 3 . 1 1 55 55 GLN N N 55 119.475 119.475 120.333 -0.858 18808 1020 1 3 . 1 1 55 55 GLN CA C 55 59.584 59.584 59.026 0.558 18808 1021 1 3 . 1 1 55 55 GLN CB C 55 27.312 27.312 28.665 -1.353 18808 1022 1 3 . 1 1 55 55 GLN H H 55 8.207 8.207 8.072 0.135 18808 1023 1 3 . 1 1 56 56 LEU N N 56 120.914 120.914 118.514 2.400 18808 1024 1 3 . 1 1 56 56 LEU H H 56 7.780 7.780 7.292 0.488 18808 1025 1 3 . 1 1 57 57 GLN N N 57 122.652 122.652 118.695 3.957 18808 1026 1 3 . 1 1 57 57 GLN CA C 57 58.722 58.722 58.788 -0.066 18808 1027 1 3 . 1 1 57 57 GLN H H 57 8.363 8.363 7.577 0.786 18808 1028 1 3 . 1 1 58 58 ILE N N 58 120.955 120.955 121.284 -0.329 18808 1029 1 3 . 1 1 58 58 ILE CA C 58 66.631 66.631 66.022 0.609 18808 1030 1 3 . 1 1 58 58 ILE H H 58 8.876 8.876 8.636 0.240 18808 1031 1 3 . 1 1 59 59 GLU N N 59 122.355 122.355 119.469 2.886 18808 1032 1 3 . 1 1 59 59 GLU CA C 59 59.308 59.308 59.600 -0.292 18808 1033 1 3 . 1 1 59 59 GLU CB C 59 29.193 29.193 29.071 0.122 18808 1034 1 3 . 1 1 59 59 GLU H H 59 8.365 8.365 8.458 -0.093 18808 1035 1 3 . 1 1 61 61 LEU CA C 61 57.885 57.885 58.211 -0.326 18808 1036 1 3 . 1 1 62 62 THR N N 62 115.812 115.812 115.167 0.645 18808 1037 1 3 . 1 1 62 62 THR HA H 62 3.804 3.804 3.875 -0.071 18808 1038 1 3 . 1 1 62 62 THR CA C 62 67.067 67.067 67.076 -0.009 18808 1039 1 3 . 1 1 62 62 THR CB C 62 68.378 68.378 68.530 -0.152 18808 1040 1 3 . 1 1 62 62 THR H H 62 8.417 8.417 8.321 0.096 18808 1041 1 3 . 1 1 65 65 LEU N N 65 118.411 118.411 115.370 3.041 18808 1042 1 3 . 1 1 65 65 LEU CA C 65 56.765 56.765 57.365 -0.600 18808 1043 1 3 . 1 1 65 65 LEU H H 65 8.196 8.196 7.667 0.529 18808 1044 1 3 . 1 1 66 66 ARG N N 66 119.024 119.024 118.007 1.017 18808 1045 1 3 . 1 1 66 66 ARG CA C 66 57.751 57.751 58.442 -0.691 18808 1046 1 3 . 1 1 66 66 ARG CB C 66 29.682 29.682 30.607 -0.925 18808 1047 1 3 . 1 1 66 66 ARG H H 66 8.199 8.199 8.147 0.052 18808 1048 1 3 . 1 1 67 67 THR N N 67 109.711 109.711 109.592 0.119 18808 1049 1 3 . 1 1 67 67 THR HA H 67 4.357 4.357 4.425 -0.068 18808 1050 1 3 . 1 1 67 67 THR CA C 67 62.199 62.199 61.730 0.469 18808 1051 1 3 . 1 1 67 67 THR CB C 67 70.266 70.266 70.018 0.248 18808 1052 1 3 . 1 1 67 67 THR H H 67 7.993 7.993 8.086 -0.093 18808 1053 1 3 . 1 1 68 68 GLY N N 68 110.782 110.782 110.915 -0.133 18808 1054 1 3 . 1 1 68 68 GLY CA C 68 45.519 45.519 45.005 0.514 18808 1055 1 3 . 1 1 68 68 GLY H H 68 8.065 8.065 7.959 0.106 18808 1056 1 3 . 1 1 69 69 ASP N N 69 121.620 121.620 119.991 1.629 18808 1057 1 3 . 1 1 69 69 ASP CA C 69 53.196 53.196 53.833 -0.637 18808 1058 1 3 . 1 1 69 69 ASP CB C 69 39.719 39.719 40.791 -1.072 18808 1059 1 3 . 1 1 69 69 ASP H H 69 8.096 8.096 7.822 0.274 18808 1060 1 3 . 1 1 70 70 LEU N N 70 120.862 120.862 126.103 -5.241 18808 1061 1 3 . 1 1 70 70 LEU CA C 70 54.820 54.820 54.480 0.340 18808 1062 1 3 . 1 1 70 70 LEU H H 70 8.023 8.023 7.704 0.319 18808 1063 1 3 . 1 1 71 71 GLY N N 71 108.143 108.143 107.844 0.299 18808 1064 1 3 . 1 1 71 71 GLY CA C 71 45.026 45.026 44.466 0.560 18808 1065 1 3 . 1 1 71 71 GLY H H 71 8.433 8.433 8.113 0.320 18808 1066 1 3 . 1 1 72 72 ILE N N 72 121.288 121.288 124.545 -3.257 18808 1067 1 3 . 1 1 72 72 ILE CA C 72 58.132 58.132 57.357 0.775 18808 1068 1 3 . 1 1 72 72 ILE CB C 72 37.749 37.749 38.120 -0.370 18808 1069 1 3 . 1 1 72 72 ILE H H 72 7.863 7.863 8.254 -0.391 18808 1070 1 3 . 1 1 73 73 PRO HA H 73 4.665 4.665 4.737 -0.072 18808 1071 1 3 . 1 1 73 73 PRO CA C 73 61.094 61.094 61.396 -0.302 18808 1072 1 3 . 1 1 74 74 PRO CA C 74 62.599 62.599 63.298 -0.699 18808 1073 1 3 . 1 1 74 74 PRO CB C 74 31.140 31.140 31.940 -0.800 18808 1074 1 3 . 1 1 75 75 ASN N N 75 119.457 119.457 118.949 0.508 18808 1075 1 3 . 1 1 75 75 ASN HA H 75 4.972 4.972 4.583 0.389 18808 1076 1 3 . 1 1 75 75 ASN CA C 75 50.708 50.708 52.941 -2.233 18808 1077 1 3 . 1 1 75 75 ASN CB C 75 38.220 38.220 38.162 0.058 18808 1078 1 3 . 1 1 75 75 ASN H H 75 8.476 8.476 8.491 -0.015 18808 1079 1 3 . 1 1 76 76 PRO HA H 76 4.331 4.331 4.605 -0.274 18808 1080 1 3 . 1 1 76 76 PRO CA C 76 63.643 63.643 62.752 0.891 18808 1081 1 3 . 1 1 76 76 PRO CB C 76 31.191 31.191 32.600 -1.409 18808 1082 1 3 . 1 1 77 77 GLU N N 77 118.567 118.567 120.039 -1.472 18808 1083 1 3 . 1 1 77 77 GLU HA H 77 4.223 4.223 4.364 -0.141 18808 1084 1 3 . 1 1 77 77 GLU CA C 77 56.457 56.457 55.759 0.698 18808 1085 1 3 . 1 1 77 77 GLU CB C 77 28.811 28.811 30.554 -1.743 18808 1086 1 3 . 1 1 77 77 GLU H H 77 8.491 8.491 8.321 0.170 18808 1087 1 3 . 1 1 78 78 ASP N N 78 120.557 120.557 119.811 0.746 18808 1088 1 3 . 1 1 78 78 ASP CA C 78 54.073 54.073 55.350 -1.277 18808 1089 1 3 . 1 1 78 78 ASP CB C 78 40.455 40.455 40.759 -0.304 18808 1090 1 3 . 1 1 78 78 ASP H H 78 8.015 8.015 8.453 -0.438 18808 1091 1 3 . 1 1 79 79 ARG N N 79 121.090 121.090 121.111 -0.021 18808 1092 1 3 . 1 1 79 79 ARG CA C 79 55.406 55.406 57.726 -2.320 18808 1093 1 3 . 1 1 79 79 ARG CB C 79 29.636 29.636 30.442 -0.806 18808 1094 1 3 . 1 1 79 79 ARG H H 79 8.120 8.120 8.275 -0.155 18808 1095 1 3 . 1 1 80 80 SER N N 80 118.342 118.342 116.120 2.222 18808 1096 1 3 . 1 1 80 80 SER HA H 80 4.704 4.704 4.824 -0.120 18808 1097 1 3 . 1 1 80 80 SER CA C 80 56.232 56.232 56.349 -0.117 18808 1098 1 3 . 1 1 80 80 SER CB C 80 62.761 62.761 64.136 -1.375 18808 1099 1 3 . 1 1 80 80 SER H H 80 8.337 8.337 7.897 0.440 18808 1100 1 3 . 1 1 81 81 PRO CA C 81 62.870 62.870 62.566 0.304 18808 1101 1 3 . 1 1 81 81 PRO CB C 81 31.134 31.134 32.362 -1.228 18808 1102 1 3 . 1 1 82 82 SER N N 82 117.424 117.424 116.943 0.481 18808 1103 1 3 . 1 1 82 82 SER HA H 82 4.726 4.726 4.523 0.203 18808 1104 1 3 . 1 1 82 82 SER CA C 82 55.808 55.808 57.444 -1.636 18808 1105 1 3 . 1 1 82 82 SER CB C 82 62.903 62.903 63.179 -0.276 18808 1106 1 3 . 1 1 82 82 SER H H 82 8.358 8.358 8.255 0.103 18808 1107 1 3 . 1 1 83 83 PRO CA C 83 62.778 62.778 63.483 -0.705 18808 1108 1 3 . 1 1 84 84 GLU N N 84 122.184 122.184 124.402 -2.218 18808 1109 1 3 . 1 1 84 84 GLU HA H 84 4.539 4.539 4.447 0.093 18808 1110 1 3 . 1 1 84 84 GLU CA C 84 53.934 53.934 56.674 -2.740 18808 1111 1 3 . 1 1 84 84 GLU CB C 84 28.861 28.861 29.483 -0.622 18808 1112 1 3 . 1 1 84 84 GLU H H 84 8.295 8.295 8.686 -0.391 18808 1113 1 3 . 1 1 85 85 PRO CA C 85 62.675 62.675 63.659 -0.984 18808 1114 1 3 . 1 1 85 85 PRO CB C 85 31.123 31.123 31.795 -0.672 18808 1115 1 3 . 1 1 86 86 ILE N N 86 120.522 120.522 120.063 0.459 18808 1116 1 3 . 1 1 86 86 ILE CA C 86 60.553 60.553 60.487 0.066 18808 1117 1 3 . 1 1 86 86 ILE CB C 86 38.305 38.305 37.331 0.974 18808 1118 1 3 . 1 1 86 86 ILE H H 86 8.052 8.052 7.668 0.384 18808 1119 1 3 . 1 1 87 87 TYR N N 87 123.178 123.178 128.808 -5.630 18808 1120 1 3 . 1 1 87 87 TYR HA H 87 4.905 4.905 4.729 0.176 18808 1121 1 3 . 1 1 87 87 TYR CA C 87 56.744 56.744 57.458 -0.714 18808 1122 1 3 . 1 1 87 87 TYR CB C 87 39.324 39.324 41.732 -2.408 18808 1123 1 3 . 1 1 87 87 TYR H H 87 8.272 8.272 8.479 -0.207 18808 1124 1 3 . 1 1 88 88 ASN N N 88 120.123 120.123 124.438 -4.315 18808 1125 1 3 . 1 1 88 88 ASN HA H 88 4.801 4.801 4.711 0.090 18808 1126 1 3 . 1 1 88 88 ASN CA C 88 51.734 51.734 52.618 -0.884 18808 1127 1 3 . 1 1 88 88 ASN CB C 88 38.209 38.209 38.689 -0.480 18808 1128 1 3 . 1 1 88 88 ASN H H 88 8.466 8.466 8.212 0.254 18808 1129 1 3 . 1 1 89 89 SER N N 89 115.872 115.872 119.111 -3.239 18808 1130 1 3 . 1 1 89 89 SER HA H 89 4.276 4.276 4.277 -0.001 18808 1131 1 3 . 1 1 89 89 SER CA C 89 59.589 59.589 59.855 -0.266 18808 1132 1 3 . 1 1 89 89 SER CB C 89 62.695 62.695 63.761 -1.066 18808 1133 1 3 . 1 1 89 89 SER H H 89 8.460 8.460 8.572 -0.112 18808 1134 1 3 . 1 1 90 90 GLU CA C 90 56.320 56.320 57.010 -0.690 18808 1135 1 3 . 1 1 90 90 GLU CB C 90 29.074 29.074 29.741 -0.667 18808 1136 1 3 . 1 1 91 91 GLY N N 91 108.520 108.520 106.670 1.850 18808 1137 1 3 . 1 1 91 91 GLY CA C 91 45.175 45.175 44.547 0.628 18808 1138 1 3 . 1 1 91 91 GLY H H 91 8.245 8.245 7.526 0.719 18808 1139 1 3 . 1 1 92 92 LYS N N 92 120.880 120.880 121.509 -0.629 18808 1140 1 3 . 1 1 92 92 LYS CA C 92 55.393 55.393 56.680 -1.287 18808 1141 1 3 . 1 1 92 92 LYS CB C 92 32.047 32.047 33.221 -1.174 18808 1142 1 3 . 1 1 92 92 LYS H H 92 8.022 8.022 8.584 -0.562 18808 1143 1 3 . 1 1 93 93 ARG N N 93 123.484 123.484 119.572 3.912 18808 1144 1 3 . 1 1 93 93 ARG HA H 93 4.230 4.230 4.580 -0.350 18808 1145 1 3 . 1 1 93 93 ARG CA C 93 55.894 55.894 55.220 0.674 18808 1146 1 3 . 1 1 93 93 ARG CB C 93 30.480 30.480 31.629 -1.149 18808 1147 1 3 . 1 1 93 93 ARG H H 93 8.476 8.476 7.737 0.739 18808 1148 1 3 . 1 1 94 94 LEU N N 94 124.336 124.336 120.618 3.718 18808 1149 1 3 . 1 1 94 94 LEU HA H 94 4.323 4.323 4.581 -0.258 18808 1150 1 3 . 1 1 94 94 LEU CA C 94 54.606 54.606 53.695 0.911 18808 1151 1 3 . 1 1 94 94 LEU H H 94 8.391 8.391 8.164 0.227 18808 1152 1 3 . 1 1 95 95 ASN N N 95 119.662 119.662 118.864 0.798 18808 1153 1 3 . 1 1 95 95 ASN HA H 95 4.793 4.793 4.805 -0.012 18808 1154 1 3 . 1 1 95 95 ASN CA C 95 52.490 52.490 53.943 -1.453 18808 1155 1 3 . 1 1 95 95 ASN CB C 95 38.070 38.070 38.540 -0.470 18808 1156 1 3 . 1 1 95 95 ASN H H 95 8.533 8.533 8.542 -0.009 18808 1157 1 3 . 1 1 96 96 THR N N 96 114.180 114.180 119.107 -4.927 18808 1158 1 3 . 1 1 96 96 THR CA C 96 62.469 62.469 62.542 -0.073 18808 1159 1 3 . 1 1 96 96 THR H H 96 8.128 8.128 8.314 -0.186 18808 1160 1 3 . 1 1 97 97 ARG N N 97 122.577 122.577 122.372 0.205 18808 1161 1 3 . 1 1 97 97 ARG CA C 97 58.053 58.053 59.685 -1.632 18808 1162 1 3 . 1 1 97 97 ARG H H 97 8.626 8.626 8.666 -0.040 18808 1163 1 3 . 1 1 98 98 GLU N N 98 121.594 121.594 121.350 0.244 18808 1164 1 3 . 1 1 98 98 GLU CA C 98 58.320 58.320 59.805 -1.485 18808 1165 1 3 . 1 1 98 98 GLU H H 98 8.607 8.607 8.616 -0.009 18808 1166 1 3 . 1 1 100 100 ARG CA C 100 58.113 58.113 60.098 -1.985 18808 1167 1 3 . 1 1 101 101 THR N N 101 115.806 115.806 116.536 -0.730 18808 1168 1 3 . 1 1 101 101 THR HA H 101 3.987 3.987 4.026 -0.039 18808 1169 1 3 . 1 1 101 101 THR CA C 101 64.627 64.627 66.900 -2.273 18808 1170 1 3 . 1 1 101 101 THR H H 101 8.091 8.091 7.981 0.110 18808 1171 1 3 . 1 1 102 102 ARG N N 102 122.017 122.017 120.638 1.379 18808 1172 1 3 . 1 1 102 102 ARG CA C 102 60.055 60.055 59.773 0.282 18808 1173 1 3 . 1 1 102 102 ARG H H 102 8.430 8.430 8.444 -0.014 18808 1174 1 3 . 1 1 103 103 LYS N N 103 117.689 117.689 119.764 -2.075 18808 1175 1 3 . 1 1 103 103 LYS CA C 103 58.573 58.573 58.201 0.372 18808 1176 1 3 . 1 1 103 103 LYS H H 103 7.975 7.975 8.259 -0.284 18808 1177 1 3 . 1 1 104 104 LYS N N 104 119.765 119.765 119.844 -0.079 18808 1178 1 3 . 1 1 104 104 LYS CA C 104 58.500 58.500 58.691 -0.191 18808 1179 1 3 . 1 1 104 104 LYS CB C 104 31.083 31.083 31.772 -0.689 18808 1180 1 3 . 1 1 104 104 LYS H H 104 7.674 7.674 7.560 0.114 18808 1181 1 3 . 1 1 105 105 LEU N N 105 120.812 120.812 118.953 1.859 18808 1182 1 3 . 1 1 105 105 LEU CA C 105 57.813 57.813 58.122 -0.309 18808 1183 1 3 . 1 1 105 105 LEU H H 105 8.120 8.120 7.908 0.212 18808 1184 1 3 . 1 1 106 106 GLU N N 106 118.877 118.877 118.885 -0.008 18808 1185 1 3 . 1 1 106 106 GLU CA C 106 59.150 59.150 59.746 -0.596 18808 1186 1 3 . 1 1 106 106 GLU CB C 106 29.012 29.012 29.195 -0.183 18808 1187 1 3 . 1 1 106 106 GLU H H 106 8.707 8.707 8.010 0.697 18808 1188 1 3 . 1 1 107 107 GLU N N 107 122.176 122.176 118.942 3.234 18808 1189 1 3 . 1 1 107 107 GLU H H 107 8.357 8.357 8.225 0.132 18808 1190 1 3 . 1 1 108 108 GLU N N 108 121.565 121.565 119.744 1.821 18808 1191 1 3 . 1 1 108 108 GLU H H 108 8.322 8.322 8.078 0.244 18808 1192 1 3 . 1 1 109 109 ARG N N 109 118.431 118.431 119.924 -1.493 18808 1193 1 3 . 1 1 109 109 ARG H H 109 8.613 8.613 8.250 0.363 18808 1194 1 3 . 1 1 110 110 HIS N N 110 119.577 119.577 118.463 1.114 18808 1195 1 3 . 1 1 110 110 HIS CA C 110 60.031 60.031 59.258 0.773 18808 1196 1 3 . 1 1 110 110 HIS H H 110 8.541 8.541 8.650 -0.109 18808 1197 1 3 . 1 1 111 111 ASN N N 111 119.551 119.551 118.489 1.062 18808 1198 1 3 . 1 1 111 111 ASN CB C 111 36.981 36.981 38.334 -1.353 18808 1199 1 3 . 1 1 111 111 ASN H H 111 8.401 8.401 8.209 0.192 18808 1200 1 3 . 1 1 112 112 LEU N N 112 121.995 121.995 119.973 2.022 18808 1201 1 3 . 1 1 112 112 LEU CA C 112 57.434 57.434 57.726 -0.292 18808 1202 1 3 . 1 1 112 112 LEU H H 112 8.088 8.088 7.623 0.465 18808 1203 1 3 . 1 1 113 113 ILE N N 113 121.510 121.510 120.887 0.623 18808 1204 1 3 . 1 1 113 113 ILE CA C 113 65.489 65.489 64.797 0.691 18808 1205 1 3 . 1 1 113 113 ILE H H 113 8.527 8.527 8.648 -0.121 18808 1206 1 3 . 1 1 114 114 THR N N 114 115.127 115.127 115.854 -0.727 18808 1207 1 3 . 1 1 114 114 THR HA H 114 3.748 3.748 3.981 -0.233 18808 1208 1 3 . 1 1 114 114 THR CA C 114 66.173 66.173 67.788 -1.615 18808 1209 1 3 . 1 1 114 114 THR CB C 114 68.210 68.210 68.300 -0.090 18808 1210 1 3 . 1 1 114 114 THR H H 114 8.102 8.102 8.483 -0.381 18808 1211 1 3 . 1 1 115 115 GLU N N 115 123.316 123.316 122.103 1.213 18808 1212 1 3 . 1 1 115 115 GLU CA C 115 58.663 58.663 59.227 -0.564 18808 1213 1 3 . 1 1 115 115 GLU CB C 115 28.390 28.390 29.567 -1.177 18808 1214 1 3 . 1 1 115 115 GLU H H 115 7.473 7.473 7.541 -0.068 18808 1215 1 3 . 1 1 116 116 MET N N 116 119.934 119.934 119.909 0.025 18808 1216 1 3 . 1 1 116 116 MET CA C 116 56.561 56.561 59.237 -2.676 18808 1217 1 3 . 1 1 116 116 MET H H 116 8.442 8.442 8.540 -0.098 18808 1218 1 3 . 1 1 117 117 VAL N N 117 117.688 117.688 119.882 -2.194 18808 1219 1 3 . 1 1 117 117 VAL HA H 117 3.946 3.946 4.195 -0.249 18808 1220 1 3 . 1 1 117 117 VAL CA C 117 61.989 61.989 66.180 -4.191 18808 1221 1 3 . 1 1 117 117 VAL H H 117 8.332 8.332 8.648 -0.316 18808 1222 1 3 . 1 1 118 118 ALA N N 118 120.568 120.568 121.924 -1.356 18808 1223 1 3 . 1 1 118 118 ALA HA H 118 4.173 4.173 4.143 0.030 18808 1224 1 3 . 1 1 118 118 ALA CA C 118 53.531 53.531 54.871 -1.340 18808 1225 1 3 . 1 1 118 118 ALA CB C 118 17.606 17.606 18.661 -1.055 18808 1226 1 3 . 1 1 118 118 ALA H H 118 7.143 7.143 7.504 -0.361 18808 1227 1 3 . 1 1 119 119 LEU N N 119 118.032 118.032 118.188 -0.156 18808 1228 1 3 . 1 1 119 119 LEU CA C 119 56.245 56.245 56.518 -0.273 18808 1229 1 3 . 1 1 119 119 LEU H H 119 7.585 7.585 8.087 -0.502 18808 1230 1 3 . 1 1 120 120 ASN N N 120 115.407 115.407 115.609 -0.202 18808 1231 1 3 . 1 1 120 120 ASN HA H 120 5.065 5.065 5.139 -0.074 18808 1232 1 3 . 1 1 120 120 ASN CA C 120 49.613 49.613 50.062 -0.449 18808 1233 1 3 . 1 1 120 120 ASN CB C 120 38.651 38.651 39.908 -1.257 18808 1234 1 3 . 1 1 120 120 ASN H H 120 8.512 8.512 8.141 0.371 18808 1235 1 3 . 1 1 121 121 PRO HA H 121 4.711 4.711 4.564 0.147 18808 1236 1 3 . 1 1 121 121 PRO CA C 121 63.796 63.796 64.605 -0.809 18808 1237 1 3 . 1 1 121 121 PRO CB C 121 31.383 31.383 32.345 -0.962 18808 1238 1 3 . 1 1 122 122 ASP N N 122 115.768 115.768 117.505 -1.737 18808 1239 1 3 . 1 1 122 122 ASP CA C 122 53.863 53.863 53.739 0.124 18808 1240 1 3 . 1 1 122 122 ASP CB C 122 40.647 40.647 41.564 -0.917 18808 1241 1 3 . 1 1 122 122 ASP H H 122 7.676 7.676 8.001 -0.325 18808 1242 1 3 . 1 1 123 123 PHE N N 123 122.733 122.733 121.658 1.075 18808 1243 1 3 . 1 1 123 123 PHE HA H 123 4.181 4.181 4.389 -0.208 18808 1244 1 3 . 1 1 123 123 PHE CA C 123 58.501 58.501 58.756 -0.255 18808 1245 1 3 . 1 1 123 123 PHE CB C 123 38.660 38.660 39.643 -0.983 18808 1246 1 3 . 1 1 123 123 PHE H H 123 7.989 7.989 7.442 0.547 18808 1247 1 3 . 1 1 124 124 LYS N N 124 129.392 129.392 128.606 0.786 18808 1248 1 3 . 1 1 124 124 LYS HA H 124 4.592 4.592 4.367 0.225 18808 1249 1 3 . 1 1 124 124 LYS CA C 124 51.210 51.210 51.974 -0.763 18808 1250 1 3 . 1 1 124 124 LYS CB C 124 31.495 31.495 31.887 -0.392 18808 1251 1 3 . 1 1 124 124 LYS H H 124 7.686 7.686 8.305 -0.619 18808 1252 1 3 . 1 1 125 125 PRO HA H 125 4.139 4.139 4.172 -0.033 18808 1253 1 3 . 1 1 125 125 PRO CA C 125 60.556 60.556 61.256 -0.700 18808 1254 1 3 . 1 1 126 126 PRO HA H 126 4.771 4.771 4.334 0.437 18808 1255 1 3 . 1 1 126 126 PRO CA C 126 62.246 62.246 62.923 -0.677 18808 1256 1 3 . 1 1 126 126 PRO CB C 126 31.352 31.352 32.256 -0.904 18808 1257 1 3 . 1 1 127 127 ALA N N 127 123.830 123.830 123.131 0.699 18808 1258 1 3 . 1 1 127 127 ALA HA H 127 4.105 4.105 4.152 -0.047 18808 1259 1 3 . 1 1 127 127 ALA CA C 127 54.149 54.149 54.024 0.125 18808 1260 1 3 . 1 1 127 127 ALA CB C 127 18.076 18.076 19.004 -0.928 18808 1261 1 3 . 1 1 127 127 ALA H H 127 8.691 8.691 8.427 0.264 18808 1262 1 3 . 1 1 128 128 ASP N N 128 112.954 112.954 117.916 -4.962 18808 1263 1 3 . 1 1 128 128 ASP CA C 128 53.203 53.203 53.858 -0.655 18808 1264 1 3 . 1 1 128 128 ASP CB C 128 39.728 39.728 39.852 -0.124 18808 1265 1 3 . 1 1 128 128 ASP H H 128 8.403 8.403 8.208 0.195 18808 1266 1 3 . 1 1 129 129 TYR N N 129 121.200 121.200 121.892 -0.692 18808 1267 1 3 . 1 1 129 129 TYR CA C 129 57.918 57.918 58.624 -0.707 18808 1268 1 3 . 1 1 129 129 TYR CB C 129 38.075 38.075 38.755 -0.680 18808 1269 1 3 . 1 1 129 129 TYR H H 129 7.650 7.650 7.442 0.208 18808 1270 1 3 . 1 1 130 130 LYS N N 130 129.878 129.878 130.314 -0.436 18808 1271 1 3 . 1 1 130 130 LYS HA H 130 4.361 4.361 4.465 -0.104 18808 1272 1 3 . 1 1 130 130 LYS CA C 130 52.063 52.063 52.030 0.033 18808 1273 1 3 . 1 1 130 130 LYS CB C 130 32.565 32.565 32.108 0.457 18808 1274 1 3 . 1 1 130 130 LYS H H 130 7.784 7.784 8.003 -0.219 18808 1275 1 3 . 1 1 132 132 PRO CA C 132 62.394 62.394 63.102 -0.708 18808 1276 1 3 . 1 1 132 132 PRO CB C 132 29.945 29.945 31.826 -1.881 18808 1277 1 3 . 1 1 133 133 ALA N N 133 124.238 124.238 123.497 0.741 18808 1278 1 3 . 1 1 133 133 ALA HA H 133 4.293 4.293 3.990 0.303 18808 1279 1 3 . 1 1 133 133 ALA CA C 133 52.004 52.004 53.029 -1.026 18808 1280 1 3 . 1 1 133 133 ALA CB C 133 18.521 18.521 17.901 0.620 18808 1281 1 3 . 1 1 133 133 ALA H H 133 8.375 8.375 8.331 0.044 18808 1282 1 4 . 1 1 3 3 THR N N 3 118.281 118.281 114.162 4.119 18808 1283 1 4 . 1 1 3 3 THR HA H 3 4.220 4.220 4.464 -0.244 18808 1284 1 4 . 1 1 3 3 THR CA C 3 61.481 61.481 62.127 -0.645 18808 1285 1 4 . 1 1 3 3 THR CB C 3 69.427 69.427 69.698 -0.271 18808 1286 1 4 . 1 1 3 3 THR H H 3 8.283 8.283 8.589 -0.306 18808 1287 1 4 . 1 1 4 4 GLY N N 4 111.418 111.418 109.705 1.713 18808 1288 1 4 . 1 1 4 4 GLY CA C 4 44.811 44.811 45.606 -0.795 18808 1289 1 4 . 1 1 4 4 GLY H H 4 8.445 8.445 7.752 0.693 18808 1290 1 4 . 1 1 5 5 ALA N N 5 123.764 123.764 123.077 0.687 18808 1291 1 4 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.025 0.299 18808 1292 1 4 . 1 1 5 5 ALA CA C 5 52.237 52.237 52.495 -0.258 18808 1293 1 4 . 1 1 5 5 ALA CB C 5 18.688 18.688 18.227 0.461 18808 1294 1 4 . 1 1 5 5 ALA H H 5 8.229 8.229 8.315 -0.086 18808 1295 1 4 . 1 1 6 6 ASN N N 6 117.534 117.534 117.390 0.144 18808 1296 1 4 . 1 1 6 6 ASN HA H 6 4.672 4.672 4.747 -0.075 18808 1297 1 4 . 1 1 6 6 ASN CA C 6 52.760 52.760 52.790 -0.030 18808 1298 1 4 . 1 1 6 6 ASN CB C 6 38.294 38.294 39.064 -0.770 18808 1299 1 4 . 1 1 6 6 ASN H H 6 8.426 8.426 8.366 0.060 18808 1300 1 4 . 1 1 7 7 ALA N N 7 124.230 124.230 123.399 0.831 18808 1301 1 4 . 1 1 7 7 ALA HA H 7 4.375 4.375 4.515 -0.140 18808 1302 1 4 . 1 1 7 7 ALA CA C 7 52.033 52.033 51.437 0.596 18808 1303 1 4 . 1 1 7 7 ALA CB C 7 18.611 18.611 19.869 -1.258 18808 1304 1 4 . 1 1 7 7 ALA H H 7 8.171 8.171 8.196 -0.025 18808 1305 1 4 . 1 1 8 8 THR N N 8 116.291 116.291 117.084 -0.793 18808 1306 1 4 . 1 1 8 8 THR HA H 8 4.613 4.613 4.553 0.060 18808 1307 1 4 . 1 1 8 8 THR CA C 8 59.445 59.445 60.205 -0.760 18808 1308 1 4 . 1 1 8 8 THR CB C 8 69.200 69.200 69.087 0.113 18808 1309 1 4 . 1 1 8 8 THR H H 8 8.211 8.211 8.174 0.037 18808 1310 1 4 . 1 1 9 9 PRO CA C 9 62.885 62.885 62.543 0.342 18808 1311 1 4 . 1 1 9 9 PRO CB C 9 31.241 31.241 32.546 -1.305 18808 1312 1 4 . 1 1 10 10 LEU N N 10 121.874 121.874 122.600 -0.726 18808 1313 1 4 . 1 1 10 10 LEU HA H 10 4.257 4.257 4.111 0.146 18808 1314 1 4 . 1 1 10 10 LEU CA C 10 54.751 54.751 54.384 0.367 18808 1315 1 4 . 1 1 10 10 LEU H H 10 8.245 8.245 8.182 0.063 18808 1316 1 4 . 1 1 11 11 ASP N N 11 120.266 120.266 118.831 1.435 18808 1317 1 4 . 1 1 11 11 ASP CA C 11 53.652 53.652 55.614 -1.962 18808 1318 1 4 . 1 1 11 11 ASP CB C 11 40.760 40.760 40.868 -0.108 18808 1319 1 4 . 1 1 11 11 ASP H H 11 8.091 8.091 7.888 0.203 18808 1320 1 4 . 1 1 12 12 PHE N N 12 121.243 121.243 118.579 2.664 18808 1321 1 4 . 1 1 12 12 PHE CA C 12 55.502 55.502 53.842 1.660 18808 1322 1 4 . 1 1 12 12 PHE CB C 12 38.370 38.370 38.221 0.149 18808 1323 1 4 . 1 1 12 12 PHE H H 12 8.058 8.058 7.225 0.833 18808 1324 1 4 . 1 1 13 13 PRO CA C 13 63.035 63.035 63.635 -0.600 18808 1325 1 4 . 1 1 13 13 PRO CB C 13 31.024 31.024 31.998 -0.974 18808 1326 1 4 . 1 1 14 14 SER N N 14 115.993 115.993 118.900 -2.907 18808 1327 1 4 . 1 1 14 14 SER CA C 14 58.010 58.010 57.105 0.905 18808 1328 1 4 . 1 1 14 14 SER CB C 14 63.227 63.227 64.168 -0.941 18808 1329 1 4 . 1 1 14 14 SER H H 14 8.301 8.301 8.163 0.138 18808 1330 1 4 . 1 1 15 15 LYS N N 15 123.610 123.610 120.773 2.837 18808 1331 1 4 . 1 1 15 15 LYS CA C 15 55.871 55.871 57.548 -1.677 18808 1332 1 4 . 1 1 15 15 LYS CB C 15 32.035 32.035 30.805 1.230 18808 1333 1 4 . 1 1 15 15 LYS H H 15 8.319 8.319 8.603 -0.284 18808 1334 1 4 . 1 1 18 18 LYS CB C 18 32.178 32.178 33.846 -1.669 18808 1335 1 4 . 1 1 19 19 ARG N N 19 121.722 121.722 121.962 -0.240 18808 1336 1 4 . 1 1 19 19 ARG CA C 19 55.272 55.272 55.458 -0.186 18808 1337 1 4 . 1 1 19 19 ARG CB C 19 30.231 30.231 31.709 -1.478 18808 1338 1 4 . 1 1 19 19 ARG H H 19 8.327 8.327 8.117 0.210 18808 1339 1 4 . 1 1 20 20 SER N N 20 116.915 116.915 120.300 -3.385 18808 1340 1 4 . 1 1 20 20 SER CA C 20 56.632 56.632 58.590 -1.958 18808 1341 1 4 . 1 1 20 20 SER CB C 20 63.767 63.767 63.769 -0.002 18808 1342 1 4 . 1 1 20 20 SER H H 20 8.455 8.455 8.604 -0.149 18808 1343 1 4 . 1 1 21 21 ARG N N 21 128.321 128.321 123.120 5.201 18808 1344 1 4 . 1 1 21 21 ARG CA C 21 56.363 56.363 56.252 0.112 18808 1345 1 4 . 1 1 21 21 ARG CB C 21 27.800 27.800 30.419 -2.619 18808 1346 1 4 . 1 1 21 21 ARG H H 21 10.106 10.106 8.788 1.318 18808 1347 1 4 . 1 1 22 22 TRP N N 22 122.075 122.075 120.800 1.275 18808 1348 1 4 . 1 1 22 22 TRP CA C 22 57.297 57.297 56.864 0.433 18808 1349 1 4 . 1 1 22 22 TRP CB C 22 28.494 28.494 28.656 -0.162 18808 1350 1 4 . 1 1 22 22 TRP H H 22 8.077 8.077 8.094 -0.017 18808 1351 1 4 . 1 1 23 23 ASN N N 23 122.985 122.985 120.477 2.508 18808 1352 1 4 . 1 1 23 23 ASN CA C 23 53.861 53.861 53.414 0.447 18808 1353 1 4 . 1 1 23 23 ASN CB C 23 38.205 38.205 39.769 -1.564 18808 1354 1 4 . 1 1 23 23 ASN H H 23 8.817 8.817 8.401 0.416 18808 1355 1 4 . 1 1 24 24 GLN N N 24 122.244 122.244 114.927 7.317 18808 1356 1 4 . 1 1 24 24 GLN CA C 24 55.338 55.338 55.906 -0.568 18808 1357 1 4 . 1 1 24 24 GLN CB C 24 28.621 28.621 30.003 -1.382 18808 1358 1 4 . 1 1 24 24 GLN H H 24 8.795 8.795 8.383 0.412 18808 1359 1 4 . 1 1 25 25 ASP N N 25 122.220 122.220 120.845 1.375 18808 1360 1 4 . 1 1 25 25 ASP CA C 25 53.994 53.994 53.772 0.222 18808 1361 1 4 . 1 1 25 25 ASP CB C 25 40.463 40.463 42.652 -2.189 18808 1362 1 4 . 1 1 25 25 ASP H H 25 8.612 8.612 7.970 0.642 18808 1363 1 4 . 1 1 26 26 THR N N 26 114.228 114.228 117.777 -3.549 18808 1364 1 4 . 1 1 26 26 THR CA C 26 61.524 61.524 61.535 -0.011 18808 1365 1 4 . 1 1 26 26 THR CB C 26 69.198 69.198 69.918 -0.720 18808 1366 1 4 . 1 1 26 26 THR H H 26 8.158 8.158 8.715 -0.557 18808 1367 1 4 . 1 1 27 27 MET N N 27 121.829 121.829 118.091 3.738 18808 1368 1 4 . 1 1 27 27 MET CA C 27 55.546 55.546 56.189 -0.643 18808 1369 1 4 . 1 1 27 27 MET CB C 27 31.644 31.644 31.384 0.260 18808 1370 1 4 . 1 1 27 27 MET H H 27 8.438 8.438 8.481 -0.043 18808 1371 1 4 . 1 1 30 30 LYS CA C 30 55.776 55.776 57.255 -1.479 18808 1372 1 4 . 1 1 30 30 LYS CB C 30 32.174 32.174 31.731 0.443 18808 1373 1 4 . 1 1 31 31 THR N N 31 116.696 116.696 113.807 2.889 18808 1374 1 4 . 1 1 31 31 THR CA C 31 61.760 61.760 61.470 0.290 18808 1375 1 4 . 1 1 31 31 THR CB C 31 69.262 69.262 69.499 -0.237 18808 1376 1 4 . 1 1 31 31 THR H H 31 8.214 8.214 8.148 0.066 18808 1377 1 4 . 1 1 32 32 VAL N N 32 124.581 124.581 124.850 -0.269 18808 1378 1 4 . 1 1 32 32 VAL CA C 32 61.964 61.964 60.911 1.053 18808 1379 1 4 . 1 1 32 32 VAL H H 32 8.262 8.262 8.568 -0.306 18808 1380 1 4 . 1 1 33 33 ILE N N 33 128.095 128.095 128.148 -0.053 18808 1381 1 4 . 1 1 33 33 ILE CA C 33 57.573 57.573 57.644 -0.071 18808 1382 1 4 . 1 1 33 33 ILE H H 33 8.606 8.606 8.447 0.159 18808 1383 1 4 . 1 1 34 34 PRO CA C 34 63.255 63.255 62.881 0.374 18808 1384 1 4 . 1 1 34 34 PRO CB C 34 31.086 31.086 32.314 -1.228 18808 1385 1 4 . 1 1 35 35 GLY N N 35 110.169 110.169 109.484 0.685 18808 1386 1 4 . 1 1 35 35 GLY CA C 35 44.668 44.668 45.245 -0.577 18808 1387 1 4 . 1 1 35 35 GLY H H 35 8.468 8.468 8.499 -0.031 18808 1388 1 4 . 1 1 36 36 MET N N 36 121.185 121.185 122.810 -1.625 18808 1389 1 4 . 1 1 36 36 MET HA H 36 4.833 4.833 4.855 -0.022 18808 1390 1 4 . 1 1 36 36 MET CA C 36 52.739 52.739 51.526 1.213 18808 1391 1 4 . 1 1 36 36 MET CB C 36 32.162 32.162 34.271 -2.109 18808 1392 1 4 . 1 1 36 36 MET H H 36 8.235 8.235 8.019 0.216 18808 1393 1 4 . 1 1 38 38 THR N N 38 113.487 113.487 115.460 -1.973 18808 1394 1 4 . 1 1 38 38 THR H H 38 8.286 8.286 8.160 0.126 18808 1395 1 4 . 1 1 39 39 VAL CA C 39 61.780 61.780 62.910 -1.130 18808 1396 1 4 . 1 1 40 40 ILE N N 40 127.358 127.358 126.485 0.873 18808 1397 1 4 . 1 1 40 40 ILE CB C 40 36.993 36.993 37.509 -0.516 18808 1398 1 4 . 1 1 40 40 ILE H H 40 8.254 8.254 8.199 0.055 18808 1399 1 4 . 1 1 42 42 PRO CA C 42 62.198 62.198 63.162 -0.964 18808 1400 1 4 . 1 1 42 42 PRO CB C 42 31.440 31.440 31.005 0.435 18808 1401 1 4 . 1 1 43 43 GLY N N 43 107.143 107.143 112.695 -5.552 18808 1402 1 4 . 1 1 43 43 GLY CA C 43 45.443 45.443 44.889 0.554 18808 1403 1 4 . 1 1 43 43 GLY H H 43 8.405 8.405 8.299 0.106 18808 1404 1 4 . 1 1 44 44 LEU N N 44 120.813 120.813 120.479 0.334 18808 1405 1 4 . 1 1 44 44 LEU CA C 44 54.142 54.142 53.868 0.274 18808 1406 1 4 . 1 1 44 44 LEU H H 44 8.148 8.148 7.878 0.270 18808 1407 1 4 . 1 1 45 45 THR N N 45 113.080 113.080 112.552 0.528 18808 1408 1 4 . 1 1 45 45 THR CA C 45 60.668 60.668 60.857 -0.189 18808 1409 1 4 . 1 1 45 45 THR CB C 45 70.540 70.540 70.441 0.099 18808 1410 1 4 . 1 1 45 45 THR H H 45 8.571 8.571 8.315 0.256 18808 1411 1 4 . 1 1 46 46 ARG N N 46 120.920 120.920 124.333 -3.413 18808 1412 1 4 . 1 1 46 46 ARG CA C 46 59.422 59.422 58.803 0.619 18808 1413 1 4 . 1 1 46 46 ARG CB C 46 28.617 28.617 29.275 -0.658 18808 1414 1 4 . 1 1 46 46 ARG H H 46 8.814 8.814 8.897 -0.083 18808 1415 1 4 . 1 1 47 47 GLU N N 47 119.131 119.131 119.024 0.107 18808 1416 1 4 . 1 1 47 47 GLU CA C 47 59.797 59.797 59.705 0.093 18808 1417 1 4 . 1 1 47 47 GLU CB C 47 28.200 28.200 28.575 -0.375 18808 1418 1 4 . 1 1 47 47 GLU H H 47 8.836 8.836 8.673 0.163 18808 1419 1 4 . 1 1 48 48 GLN N N 48 119.702 119.702 119.392 0.310 18808 1420 1 4 . 1 1 48 48 GLN CA C 48 57.803 57.803 58.790 -0.987 18808 1421 1 4 . 1 1 48 48 GLN CB C 48 28.555 28.555 28.170 0.385 18808 1422 1 4 . 1 1 48 48 GLN H H 48 7.758 7.758 8.113 -0.355 18808 1423 1 4 . 1 1 49 49 GLU N N 49 122.252 122.252 120.270 1.982 18808 1424 1 4 . 1 1 49 49 GLU CA C 49 59.663 59.663 59.602 0.061 18808 1425 1 4 . 1 1 49 49 GLU CB C 49 28.792 28.792 29.406 -0.614 18808 1426 1 4 . 1 1 49 49 GLU H H 49 8.885 8.885 8.567 0.318 18808 1427 1 4 . 1 1 50 50 ARG N N 50 118.823 118.823 118.761 0.062 18808 1428 1 4 . 1 1 50 50 ARG CA C 50 57.785 57.785 58.196 -0.411 18808 1429 1 4 . 1 1 50 50 ARG CB C 50 27.889 27.889 29.434 -1.545 18808 1430 1 4 . 1 1 50 50 ARG H H 50 7.925 7.925 7.616 0.309 18808 1431 1 4 . 1 1 51 51 ALA N N 51 119.205 119.205 123.162 -3.957 18808 1432 1 4 . 1 1 51 51 ALA CA C 51 54.557 54.557 55.033 -0.476 18808 1433 1 4 . 1 1 51 51 ALA CB C 51 17.465 17.465 18.228 -0.763 18808 1434 1 4 . 1 1 51 51 ALA H H 51 7.978 7.978 8.031 -0.053 18808 1435 1 4 . 1 1 52 52 TYR N N 52 119.802 119.802 119.727 0.075 18808 1436 1 4 . 1 1 52 52 TYR CA C 52 61.401 61.401 61.742 -0.341 18808 1437 1 4 . 1 1 52 52 TYR H H 52 7.976 7.976 8.163 -0.187 18808 1438 1 4 . 1 1 53 53 ILE N N 53 118.566 118.566 118.514 0.052 18808 1439 1 4 . 1 1 53 53 ILE CA C 53 63.981 63.981 62.198 1.783 18808 1440 1 4 . 1 1 53 53 ILE CB C 53 37.334 37.334 37.381 -0.047 18808 1441 1 4 . 1 1 53 53 ILE H H 53 7.934 7.934 7.889 0.045 18808 1442 1 4 . 1 1 54 54 VAL N N 54 121.327 121.327 117.818 3.509 18808 1443 1 4 . 1 1 54 54 VAL HA H 54 3.531 3.531 3.747 -0.216 18808 1444 1 4 . 1 1 54 54 VAL CA C 54 66.363 66.363 65.536 0.827 18808 1445 1 4 . 1 1 54 54 VAL H H 54 8.563 8.563 8.546 0.017 18808 1446 1 4 . 1 1 55 55 GLN N N 55 119.475 119.475 120.487 -1.012 18808 1447 1 4 . 1 1 55 55 GLN CA C 55 59.584 59.584 59.071 0.513 18808 1448 1 4 . 1 1 55 55 GLN CB C 55 27.312 27.312 28.672 -1.360 18808 1449 1 4 . 1 1 55 55 GLN H H 55 8.207 8.207 8.115 0.092 18808 1450 1 4 . 1 1 56 56 LEU N N 56 120.914 120.914 117.445 3.469 18808 1451 1 4 . 1 1 56 56 LEU H H 56 7.780 7.780 7.361 0.419 18808 1452 1 4 . 1 1 57 57 GLN N N 57 122.652 122.652 118.893 3.759 18808 1453 1 4 . 1 1 57 57 GLN CA C 57 58.722 58.722 58.279 0.443 18808 1454 1 4 . 1 1 57 57 GLN H H 57 8.363 8.363 7.473 0.890 18808 1455 1 4 . 1 1 58 58 ILE N N 58 120.955 120.955 121.953 -0.998 18808 1456 1 4 . 1 1 58 58 ILE CA C 58 66.631 66.631 66.218 0.413 18808 1457 1 4 . 1 1 58 58 ILE H H 58 8.876 8.876 8.675 0.201 18808 1458 1 4 . 1 1 59 59 GLU N N 59 122.355 122.355 118.818 3.537 18808 1459 1 4 . 1 1 59 59 GLU CA C 59 59.308 59.308 59.514 -0.206 18808 1460 1 4 . 1 1 59 59 GLU CB C 59 29.193 29.193 28.994 0.199 18808 1461 1 4 . 1 1 59 59 GLU H H 59 8.365 8.365 8.498 -0.133 18808 1462 1 4 . 1 1 61 61 LEU CA C 61 57.885 57.885 58.019 -0.134 18808 1463 1 4 . 1 1 62 62 THR N N 62 115.812 115.812 114.566 1.246 18808 1464 1 4 . 1 1 62 62 THR HA H 62 3.804 3.804 3.953 -0.149 18808 1465 1 4 . 1 1 62 62 THR CA C 62 67.067 67.067 67.326 -0.259 18808 1466 1 4 . 1 1 62 62 THR CB C 62 68.378 68.378 68.357 0.021 18808 1467 1 4 . 1 1 62 62 THR H H 62 8.417 8.417 8.343 0.074 18808 1468 1 4 . 1 1 65 65 LEU N N 65 118.411 118.411 115.358 3.053 18808 1469 1 4 . 1 1 65 65 LEU CA C 65 56.765 56.765 57.371 -0.606 18808 1470 1 4 . 1 1 65 65 LEU H H 65 8.196 8.196 7.677 0.519 18808 1471 1 4 . 1 1 66 66 ARG N N 66 119.024 119.024 117.923 1.101 18808 1472 1 4 . 1 1 66 66 ARG CA C 66 57.751 57.751 58.457 -0.706 18808 1473 1 4 . 1 1 66 66 ARG CB C 66 29.682 29.682 30.564 -0.882 18808 1474 1 4 . 1 1 66 66 ARG H H 66 8.199 8.199 8.100 0.099 18808 1475 1 4 . 1 1 67 67 THR N N 67 109.711 109.711 109.629 0.082 18808 1476 1 4 . 1 1 67 67 THR HA H 67 4.357 4.357 4.457 -0.100 18808 1477 1 4 . 1 1 67 67 THR CA C 67 62.199 62.199 62.190 0.009 18808 1478 1 4 . 1 1 67 67 THR CB C 67 70.266 70.266 70.305 -0.039 18808 1479 1 4 . 1 1 67 67 THR H H 67 7.993 7.993 8.115 -0.122 18808 1480 1 4 . 1 1 68 68 GLY N N 68 110.782 110.782 110.929 -0.147 18808 1481 1 4 . 1 1 68 68 GLY CA C 68 45.519 45.519 45.081 0.438 18808 1482 1 4 . 1 1 68 68 GLY H H 68 8.065 8.065 7.928 0.137 18808 1483 1 4 . 1 1 69 69 ASP N N 69 121.620 121.620 120.553 1.067 18808 1484 1 4 . 1 1 69 69 ASP CA C 69 53.196 53.196 53.937 -0.741 18808 1485 1 4 . 1 1 69 69 ASP CB C 69 39.719 39.719 40.455 -0.736 18808 1486 1 4 . 1 1 69 69 ASP H H 69 8.096 8.096 7.832 0.264 18808 1487 1 4 . 1 1 70 70 LEU N N 70 120.862 120.862 122.283 -1.421 18808 1488 1 4 . 1 1 70 70 LEU CA C 70 54.820 54.820 54.066 0.754 18808 1489 1 4 . 1 1 70 70 LEU H H 70 8.023 8.023 7.529 0.494 18808 1490 1 4 . 1 1 71 71 GLY N N 71 108.143 108.143 106.379 1.764 18808 1491 1 4 . 1 1 71 71 GLY CA C 71 45.026 45.026 44.697 0.329 18808 1492 1 4 . 1 1 71 71 GLY H H 71 8.433 8.433 7.499 0.934 18808 1493 1 4 . 1 1 72 72 ILE N N 72 121.288 121.288 122.812 -1.524 18808 1494 1 4 . 1 1 72 72 ILE CA C 72 58.132 58.132 57.484 0.648 18808 1495 1 4 . 1 1 72 72 ILE CB C 72 37.749 37.749 37.135 0.614 18808 1496 1 4 . 1 1 72 72 ILE H H 72 7.863 7.863 8.168 -0.305 18808 1497 1 4 . 1 1 73 73 PRO HA H 73 4.665 4.665 4.817 -0.152 18808 1498 1 4 . 1 1 73 73 PRO CA C 73 61.094 61.094 61.010 0.084 18808 1499 1 4 . 1 1 74 74 PRO CA C 74 62.599 62.599 64.251 -1.652 18808 1500 1 4 . 1 1 74 74 PRO CB C 74 31.140 31.140 32.004 -0.864 18808 1501 1 4 . 1 1 75 75 ASN N N 75 119.457 119.457 118.607 0.850 18808 1502 1 4 . 1 1 75 75 ASN HA H 75 4.972 4.972 4.946 0.026 18808 1503 1 4 . 1 1 75 75 ASN CA C 75 50.708 50.708 51.062 -0.354 18808 1504 1 4 . 1 1 75 75 ASN CB C 75 38.220 38.220 38.445 -0.225 18808 1505 1 4 . 1 1 75 75 ASN H H 75 8.476 8.476 8.092 0.384 18808 1506 1 4 . 1 1 76 76 PRO HA H 76 4.331 4.331 4.537 -0.206 18808 1507 1 4 . 1 1 76 76 PRO CA C 76 63.643 63.643 62.688 0.955 18808 1508 1 4 . 1 1 76 76 PRO CB C 76 31.191 31.191 33.675 -2.484 18808 1509 1 4 . 1 1 77 77 GLU N N 77 118.567 118.567 121.197 -2.630 18808 1510 1 4 . 1 1 77 77 GLU HA H 77 4.223 4.223 4.319 -0.096 18808 1511 1 4 . 1 1 77 77 GLU CA C 77 56.457 56.457 57.651 -1.194 18808 1512 1 4 . 1 1 77 77 GLU CB C 77 28.811 28.811 30.110 -1.299 18808 1513 1 4 . 1 1 77 77 GLU H H 77 8.491 8.491 8.690 -0.199 18808 1514 1 4 . 1 1 78 78 ASP N N 78 120.557 120.557 115.988 4.569 18808 1515 1 4 . 1 1 78 78 ASP CA C 78 54.073 54.073 53.648 0.425 18808 1516 1 4 . 1 1 78 78 ASP CB C 78 40.455 40.455 41.434 -0.978 18808 1517 1 4 . 1 1 78 78 ASP H H 78 8.015 8.015 7.997 0.018 18808 1518 1 4 . 1 1 79 79 ARG N N 79 121.090 121.090 119.929 1.161 18808 1519 1 4 . 1 1 79 79 ARG CA C 79 55.406 55.406 56.351 -0.945 18808 1520 1 4 . 1 1 79 79 ARG CB C 79 29.636 29.636 31.030 -1.395 18808 1521 1 4 . 1 1 79 79 ARG H H 79 8.120 8.120 8.270 -0.150 18808 1522 1 4 . 1 1 80 80 SER N N 80 118.342 118.342 117.819 0.523 18808 1523 1 4 . 1 1 80 80 SER HA H 80 4.704 4.704 4.818 -0.114 18808 1524 1 4 . 1 1 80 80 SER CA C 80 56.232 56.232 56.610 -0.378 18808 1525 1 4 . 1 1 80 80 SER CB C 80 62.761 62.761 63.255 -0.494 18808 1526 1 4 . 1 1 80 80 SER H H 80 8.337 8.337 7.709 0.628 18808 1527 1 4 . 1 1 81 81 PRO CA C 81 62.870 62.870 63.427 -0.557 18808 1528 1 4 . 1 1 81 81 PRO CB C 81 31.134 31.134 32.123 -0.990 18808 1529 1 4 . 1 1 82 82 SER N N 82 117.424 117.424 117.921 -0.497 18808 1530 1 4 . 1 1 82 82 SER HA H 82 4.726 4.726 4.667 0.059 18808 1531 1 4 . 1 1 82 82 SER CA C 82 55.808 55.808 56.508 -0.700 18808 1532 1 4 . 1 1 82 82 SER CB C 82 62.903 62.903 64.138 -1.235 18808 1533 1 4 . 1 1 82 82 SER H H 82 8.358 8.358 8.261 0.097 18808 1534 1 4 . 1 1 83 83 PRO CA C 83 62.778 62.778 62.880 -0.102 18808 1535 1 4 . 1 1 84 84 GLU N N 84 122.184 122.184 123.577 -1.393 18808 1536 1 4 . 1 1 84 84 GLU HA H 84 4.539 4.539 4.601 -0.062 18808 1537 1 4 . 1 1 84 84 GLU CA C 84 53.934 53.934 54.876 -0.942 18808 1538 1 4 . 1 1 84 84 GLU CB C 84 28.861 28.861 30.739 -1.878 18808 1539 1 4 . 1 1 84 84 GLU H H 84 8.295 8.295 8.620 -0.325 18808 1540 1 4 . 1 1 85 85 PRO CA C 85 62.675 62.675 62.587 0.088 18808 1541 1 4 . 1 1 85 85 PRO CB C 85 31.123 31.123 32.257 -1.134 18808 1542 1 4 . 1 1 86 86 ILE N N 86 120.522 120.522 118.587 1.935 18808 1543 1 4 . 1 1 86 86 ILE CA C 86 60.553 60.553 61.718 -1.165 18808 1544 1 4 . 1 1 86 86 ILE CB C 86 38.305 38.305 37.445 0.860 18808 1545 1 4 . 1 1 86 86 ILE H H 86 8.052 8.052 8.299 -0.247 18808 1546 1 4 . 1 1 87 87 TYR N N 87 123.178 123.178 128.948 -5.770 18808 1547 1 4 . 1 1 87 87 TYR HA H 87 4.905 4.905 4.547 0.358 18808 1548 1 4 . 1 1 87 87 TYR CA C 87 56.744 56.744 58.237 -1.493 18808 1549 1 4 . 1 1 87 87 TYR CB C 87 39.324 39.324 40.048 -0.724 18808 1550 1 4 . 1 1 87 87 TYR H H 87 8.272 8.272 8.722 -0.450 18808 1551 1 4 . 1 1 88 88 ASN N N 88 120.123 120.123 119.065 1.058 18808 1552 1 4 . 1 1 88 88 ASN HA H 88 4.801 4.801 4.854 -0.053 18808 1553 1 4 . 1 1 88 88 ASN CA C 88 51.734 51.734 52.766 -1.032 18808 1554 1 4 . 1 1 88 88 ASN CB C 88 38.209 38.209 39.480 -1.270 18808 1555 1 4 . 1 1 88 88 ASN H H 88 8.466 8.466 8.322 0.144 18808 1556 1 4 . 1 1 89 89 SER N N 89 115.872 115.872 118.671 -2.799 18808 1557 1 4 . 1 1 89 89 SER HA H 89 4.276 4.276 4.319 -0.043 18808 1558 1 4 . 1 1 89 89 SER CA C 89 59.589 59.589 60.181 -0.592 18808 1559 1 4 . 1 1 89 89 SER CB C 89 62.695 62.695 63.658 -0.963 18808 1560 1 4 . 1 1 89 89 SER H H 89 8.460 8.460 8.704 -0.244 18808 1561 1 4 . 1 1 90 90 GLU CA C 90 56.320 56.320 55.152 1.168 18808 1562 1 4 . 1 1 90 90 GLU CB C 90 29.074 29.074 29.889 -0.815 18808 1563 1 4 . 1 1 91 91 GLY N N 91 108.520 108.520 109.569 -1.049 18808 1564 1 4 . 1 1 91 91 GLY CA C 91 45.175 45.175 44.812 0.363 18808 1565 1 4 . 1 1 91 91 GLY H H 91 8.245 8.245 8.052 0.193 18808 1566 1 4 . 1 1 92 92 LYS N N 92 120.880 120.880 119.203 1.677 18808 1567 1 4 . 1 1 92 92 LYS CA C 92 55.393 55.393 56.634 -1.241 18808 1568 1 4 . 1 1 92 92 LYS CB C 92 32.047 32.047 32.100 -0.053 18808 1569 1 4 . 1 1 92 92 LYS H H 92 8.022 8.022 8.367 -0.345 18808 1570 1 4 . 1 1 93 93 ARG N N 93 123.484 123.484 120.826 2.658 18808 1571 1 4 . 1 1 93 93 ARG HA H 93 4.230 4.230 4.427 -0.197 18808 1572 1 4 . 1 1 93 93 ARG CA C 93 55.894 55.894 56.319 -0.425 18808 1573 1 4 . 1 1 93 93 ARG CB C 93 30.480 30.480 30.781 -0.301 18808 1574 1 4 . 1 1 93 93 ARG H H 93 8.476 8.476 8.361 0.115 18808 1575 1 4 . 1 1 94 94 LEU N N 94 124.336 124.336 120.991 3.345 18808 1576 1 4 . 1 1 94 94 LEU HA H 94 4.323 4.323 4.396 -0.073 18808 1577 1 4 . 1 1 94 94 LEU CA C 94 54.606 54.606 55.354 -0.748 18808 1578 1 4 . 1 1 94 94 LEU H H 94 8.391 8.391 7.713 0.678 18808 1579 1 4 . 1 1 95 95 ASN N N 95 119.662 119.662 117.502 2.160 18808 1580 1 4 . 1 1 95 95 ASN HA H 95 4.793 4.793 4.686 0.107 18808 1581 1 4 . 1 1 95 95 ASN CA C 95 52.490 52.490 53.951 -1.461 18808 1582 1 4 . 1 1 95 95 ASN CB C 95 38.070 38.070 38.334 -0.264 18808 1583 1 4 . 1 1 95 95 ASN H H 95 8.533 8.533 8.375 0.158 18808 1584 1 4 . 1 1 96 96 THR N N 96 114.180 114.180 115.986 -1.806 18808 1585 1 4 . 1 1 96 96 THR CA C 96 62.469 62.469 64.387 -1.918 18808 1586 1 4 . 1 1 96 96 THR H H 96 8.128 8.128 8.576 -0.448 18808 1587 1 4 . 1 1 97 97 ARG N N 97 122.577 122.577 120.714 1.863 18808 1588 1 4 . 1 1 97 97 ARG CA C 97 58.053 58.053 59.542 -1.489 18808 1589 1 4 . 1 1 97 97 ARG H H 97 8.626 8.626 8.367 0.259 18808 1590 1 4 . 1 1 98 98 GLU N N 98 121.594 121.594 120.638 0.956 18808 1591 1 4 . 1 1 98 98 GLU CA C 98 58.320 58.320 59.648 -1.328 18808 1592 1 4 . 1 1 98 98 GLU H H 98 8.607 8.607 8.804 -0.197 18808 1593 1 4 . 1 1 100 100 ARG CA C 100 58.113 58.113 60.074 -1.961 18808 1594 1 4 . 1 1 101 101 THR N N 101 115.806 115.806 116.572 -0.766 18808 1595 1 4 . 1 1 101 101 THR HA H 101 3.987 3.987 3.976 0.011 18808 1596 1 4 . 1 1 101 101 THR CA C 101 64.627 64.627 66.665 -2.038 18808 1597 1 4 . 1 1 101 101 THR H H 101 8.091 8.091 7.989 0.102 18808 1598 1 4 . 1 1 102 102 ARG N N 102 122.017 122.017 120.566 1.451 18808 1599 1 4 . 1 1 102 102 ARG CA C 102 60.055 60.055 59.847 0.208 18808 1600 1 4 . 1 1 102 102 ARG H H 102 8.430 8.430 8.412 0.018 18808 1601 1 4 . 1 1 103 103 LYS N N 103 117.689 117.689 119.779 -2.090 18808 1602 1 4 . 1 1 103 103 LYS CA C 103 58.573 58.573 58.220 0.353 18808 1603 1 4 . 1 1 103 103 LYS H H 103 7.975 7.975 8.268 -0.293 18808 1604 1 4 . 1 1 104 104 LYS N N 104 119.765 119.765 119.846 -0.081 18808 1605 1 4 . 1 1 104 104 LYS CA C 104 58.500 58.500 58.694 -0.194 18808 1606 1 4 . 1 1 104 104 LYS CB C 104 31.083 31.083 31.776 -0.693 18808 1607 1 4 . 1 1 104 104 LYS H H 104 7.674 7.674 7.568 0.106 18808 1608 1 4 . 1 1 105 105 LEU N N 105 120.812 120.812 118.961 1.851 18808 1609 1 4 . 1 1 105 105 LEU CA C 105 57.813 57.813 58.128 -0.315 18808 1610 1 4 . 1 1 105 105 LEU H H 105 8.120 8.120 7.913 0.207 18808 1611 1 4 . 1 1 106 106 GLU N N 106 118.877 118.877 118.895 -0.018 18808 1612 1 4 . 1 1 106 106 GLU CA C 106 59.150 59.150 59.761 -0.612 18808 1613 1 4 . 1 1 106 106 GLU CB C 106 29.012 29.012 29.224 -0.212 18808 1614 1 4 . 1 1 106 106 GLU H H 106 8.707 8.707 8.021 0.686 18808 1615 1 4 . 1 1 107 107 GLU N N 107 122.176 122.176 118.958 3.218 18808 1616 1 4 . 1 1 107 107 GLU H H 107 8.357 8.357 8.238 0.119 18808 1617 1 4 . 1 1 108 108 GLU N N 108 121.565 121.565 119.716 1.849 18808 1618 1 4 . 1 1 108 108 GLU H H 108 8.322 8.322 8.041 0.281 18808 1619 1 4 . 1 1 109 109 ARG N N 109 118.431 118.431 119.916 -1.485 18808 1620 1 4 . 1 1 109 109 ARG H H 109 8.613 8.613 8.243 0.370 18808 1621 1 4 . 1 1 110 110 HIS N N 110 119.577 119.577 118.440 1.137 18808 1622 1 4 . 1 1 110 110 HIS CA C 110 60.031 60.031 59.218 0.813 18808 1623 1 4 . 1 1 110 110 HIS H H 110 8.541 8.541 8.638 -0.097 18808 1624 1 4 . 1 1 111 111 ASN N N 111 119.551 119.551 118.469 1.082 18808 1625 1 4 . 1 1 111 111 ASN CB C 111 36.981 36.981 38.328 -1.347 18808 1626 1 4 . 1 1 111 111 ASN H H 111 8.401 8.401 8.198 0.203 18808 1627 1 4 . 1 1 112 112 LEU N N 112 121.995 121.995 119.953 2.042 18808 1628 1 4 . 1 1 112 112 LEU CA C 112 57.434 57.434 57.704 -0.270 18808 1629 1 4 . 1 1 112 112 LEU H H 112 8.088 8.088 7.607 0.481 18808 1630 1 4 . 1 1 113 113 ILE N N 113 121.510 121.510 120.744 0.766 18808 1631 1 4 . 1 1 113 113 ILE CA C 113 65.489 65.489 64.594 0.895 18808 1632 1 4 . 1 1 113 113 ILE H H 113 8.527 8.527 8.597 -0.070 18808 1633 1 4 . 1 1 114 114 THR N N 114 115.127 115.127 116.043 -0.916 18808 1634 1 4 . 1 1 114 114 THR HA H 114 3.748 3.748 3.908 -0.160 18808 1635 1 4 . 1 1 114 114 THR CA C 114 66.173 66.173 67.615 -1.442 18808 1636 1 4 . 1 1 114 114 THR CB C 114 68.210 68.210 68.437 -0.227 18808 1637 1 4 . 1 1 114 114 THR H H 114 8.102 8.102 8.419 -0.317 18808 1638 1 4 . 1 1 115 115 GLU N N 115 123.316 123.316 122.123 1.193 18808 1639 1 4 . 1 1 115 115 GLU CA C 115 58.663 58.663 59.225 -0.562 18808 1640 1 4 . 1 1 115 115 GLU CB C 115 28.390 28.390 29.573 -1.183 18808 1641 1 4 . 1 1 115 115 GLU H H 115 7.473 7.473 7.516 -0.043 18808 1642 1 4 . 1 1 116 116 MET N N 116 119.934 119.934 120.156 -0.222 18808 1643 1 4 . 1 1 116 116 MET CA C 116 56.561 56.561 59.245 -2.684 18808 1644 1 4 . 1 1 116 116 MET H H 116 8.442 8.442 8.457 -0.015 18808 1645 1 4 . 1 1 117 117 VAL N N 117 117.688 117.688 119.841 -2.153 18808 1646 1 4 . 1 1 117 117 VAL HA H 117 3.946 3.946 4.096 -0.150 18808 1647 1 4 . 1 1 117 117 VAL CA C 117 61.989 61.989 66.159 -4.170 18808 1648 1 4 . 1 1 117 117 VAL H H 117 8.332 8.332 8.618 -0.286 18808 1649 1 4 . 1 1 118 118 ALA N N 118 120.568 120.568 121.886 -1.318 18808 1650 1 4 . 1 1 118 118 ALA HA H 118 4.173 4.173 4.135 0.038 18808 1651 1 4 . 1 1 118 118 ALA CA C 118 53.531 53.531 54.895 -1.365 18808 1652 1 4 . 1 1 118 118 ALA CB C 118 17.606 17.606 18.686 -1.080 18808 1653 1 4 . 1 1 118 118 ALA H H 118 7.143 7.143 7.519 -0.376 18808 1654 1 4 . 1 1 119 119 LEU N N 119 118.032 118.032 118.194 -0.162 18808 1655 1 4 . 1 1 119 119 LEU CA C 119 56.245 56.245 56.522 -0.277 18808 1656 1 4 . 1 1 119 119 LEU H H 119 7.585 7.585 8.084 -0.499 18808 1657 1 4 . 1 1 120 120 ASN N N 120 115.407 115.407 115.600 -0.193 18808 1658 1 4 . 1 1 120 120 ASN HA H 120 5.065 5.065 5.141 -0.076 18808 1659 1 4 . 1 1 120 120 ASN CA C 120 49.613 49.613 50.065 -0.452 18808 1660 1 4 . 1 1 120 120 ASN CB C 120 38.651 38.651 39.910 -1.259 18808 1661 1 4 . 1 1 120 120 ASN H H 120 8.512 8.512 8.139 0.373 18808 1662 1 4 . 1 1 121 121 PRO HA H 121 4.711 4.711 4.571 0.140 18808 1663 1 4 . 1 1 121 121 PRO CA C 121 63.796 63.796 64.603 -0.807 18808 1664 1 4 . 1 1 121 121 PRO CB C 121 31.383 31.383 32.349 -0.966 18808 1665 1 4 . 1 1 122 122 ASP N N 122 115.768 115.768 117.503 -1.735 18808 1666 1 4 . 1 1 122 122 ASP CA C 122 53.863 53.863 53.734 0.129 18808 1667 1 4 . 1 1 122 122 ASP CB C 122 40.647 40.647 41.568 -0.921 18808 1668 1 4 . 1 1 122 122 ASP H H 122 7.676 7.676 8.004 -0.328 18808 1669 1 4 . 1 1 123 123 PHE N N 123 122.733 122.733 121.666 1.067 18808 1670 1 4 . 1 1 123 123 PHE HA H 123 4.181 4.181 4.383 -0.202 18808 1671 1 4 . 1 1 123 123 PHE CA C 123 58.501 58.501 58.757 -0.256 18808 1672 1 4 . 1 1 123 123 PHE CB C 123 38.660 38.660 39.636 -0.976 18808 1673 1 4 . 1 1 123 123 PHE H H 123 7.989 7.989 7.445 0.544 18808 1674 1 4 . 1 1 124 124 LYS N N 124 129.392 129.392 128.613 0.779 18808 1675 1 4 . 1 1 124 124 LYS HA H 124 4.592 4.592 4.378 0.214 18808 1676 1 4 . 1 1 124 124 LYS CA C 124 51.210 51.210 51.977 -0.768 18808 1677 1 4 . 1 1 124 124 LYS CB C 124 31.495 31.495 31.892 -0.397 18808 1678 1 4 . 1 1 124 124 LYS H H 124 7.686 7.686 8.300 -0.614 18808 1679 1 4 . 1 1 125 125 PRO HA H 125 4.139 4.139 4.156 -0.017 18808 1680 1 4 . 1 1 125 125 PRO CA C 125 60.556 60.556 61.249 -0.693 18808 1681 1 4 . 1 1 126 126 PRO HA H 126 4.771 4.771 4.335 0.436 18808 1682 1 4 . 1 1 126 126 PRO CA C 126 62.246 62.246 62.953 -0.708 18808 1683 1 4 . 1 1 126 126 PRO CB C 126 31.352 31.352 32.187 -0.835 18808 1684 1 4 . 1 1 127 127 ALA N N 127 123.830 123.830 123.490 0.340 18808 1685 1 4 . 1 1 127 127 ALA HA H 127 4.105 4.105 4.149 -0.044 18808 1686 1 4 . 1 1 127 127 ALA CA C 127 54.149 54.149 54.181 -0.032 18808 1687 1 4 . 1 1 127 127 ALA CB C 127 18.076 18.076 18.949 -0.873 18808 1688 1 4 . 1 1 127 127 ALA H H 127 8.691 8.691 8.485 0.206 18808 1689 1 4 . 1 1 128 128 ASP N N 128 112.954 112.954 117.075 -4.121 18808 1690 1 4 . 1 1 128 128 ASP CA C 128 53.203 53.203 53.987 -0.784 18808 1691 1 4 . 1 1 128 128 ASP CB C 128 39.728 39.728 40.197 -0.469 18808 1692 1 4 . 1 1 128 128 ASP H H 128 8.403 8.403 8.206 0.197 18808 1693 1 4 . 1 1 129 129 TYR N N 129 121.200 121.200 122.429 -1.229 18808 1694 1 4 . 1 1 129 129 TYR CA C 129 57.918 57.918 58.886 -0.968 18808 1695 1 4 . 1 1 129 129 TYR CB C 129 38.075 38.075 38.429 -0.354 18808 1696 1 4 . 1 1 129 129 TYR H H 129 7.650 7.650 7.353 0.297 18808 1697 1 4 . 1 1 130 130 LYS N N 130 129.878 129.878 129.631 0.247 18808 1698 1 4 . 1 1 130 130 LYS HA H 130 4.361 4.361 4.382 -0.021 18808 1699 1 4 . 1 1 130 130 LYS CA C 130 52.063 52.063 52.391 -0.328 18808 1700 1 4 . 1 1 130 130 LYS CB C 130 32.565 32.565 33.171 -0.606 18808 1701 1 4 . 1 1 130 130 LYS H H 130 7.784 7.784 8.232 -0.448 18808 1702 1 4 . 1 1 132 132 PRO CA C 132 62.394 62.394 63.960 -1.566 18808 1703 1 4 . 1 1 132 132 PRO CB C 132 29.945 29.945 32.069 -2.124 18808 1704 1 4 . 1 1 133 133 ALA N N 133 124.238 124.238 121.883 2.355 18808 1705 1 4 . 1 1 133 133 ALA HA H 133 4.293 4.293 4.666 -0.373 18808 1706 1 4 . 1 1 133 133 ALA CA C 133 52.004 52.004 51.550 0.454 18808 1707 1 4 . 1 1 133 133 ALA CB C 133 18.521 18.521 20.655 -2.134 18808 1708 1 4 . 1 1 133 133 ALA H H 133 8.375 8.375 7.795 0.580 18808 1709 1 5 . 1 1 3 3 THR N N 3 118.281 118.281 115.968 2.313 18808 1710 1 5 . 1 1 3 3 THR HA H 3 4.220 4.220 4.439 -0.219 18808 1711 1 5 . 1 1 3 3 THR CA C 3 61.481 61.481 62.034 -0.553 18808 1712 1 5 . 1 1 3 3 THR CB C 3 69.427 69.427 69.101 0.326 18808 1713 1 5 . 1 1 3 3 THR H H 3 8.283 8.283 8.428 -0.145 18808 1714 1 5 . 1 1 4 4 GLY N N 4 111.418 111.418 114.475 -3.057 18808 1715 1 5 . 1 1 4 4 GLY CA C 4 44.811 44.811 46.061 -1.250 18808 1716 1 5 . 1 1 4 4 GLY H H 4 8.445 8.445 8.902 -0.457 18808 1717 1 5 . 1 1 5 5 ALA N N 5 123.764 123.764 123.234 0.530 18808 1718 1 5 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.453 -0.129 18808 1719 1 5 . 1 1 5 5 ALA CA C 5 52.237 52.237 51.768 0.469 18808 1720 1 5 . 1 1 5 5 ALA CB C 5 18.688 18.688 19.308 -0.620 18808 1721 1 5 . 1 1 5 5 ALA H H 5 8.229 8.229 8.369 -0.140 18808 1722 1 5 . 1 1 6 6 ASN N N 6 117.534 117.534 114.706 2.828 18808 1723 1 5 . 1 1 6 6 ASN HA H 6 4.672 4.672 4.330 0.342 18808 1724 1 5 . 1 1 6 6 ASN CA C 6 52.760 52.760 53.830 -1.070 18808 1725 1 5 . 1 1 6 6 ASN CB C 6 38.294 38.294 37.410 0.884 18808 1726 1 5 . 1 1 6 6 ASN H H 6 8.426 8.426 7.849 0.577 18808 1727 1 5 . 1 1 7 7 ALA N N 7 124.230 124.230 122.834 1.396 18808 1728 1 5 . 1 1 7 7 ALA HA H 7 4.375 4.375 4.386 -0.011 18808 1729 1 5 . 1 1 7 7 ALA CA C 7 52.033 52.033 53.223 -1.190 18808 1730 1 5 . 1 1 7 7 ALA CB C 7 18.611 18.611 19.551 -0.940 18808 1731 1 5 . 1 1 7 7 ALA H H 7 8.171 8.171 8.535 -0.364 18808 1732 1 5 . 1 1 8 8 THR N N 8 116.291 116.291 113.386 2.905 18808 1733 1 5 . 1 1 8 8 THR HA H 8 4.613 4.613 4.754 -0.141 18808 1734 1 5 . 1 1 8 8 THR CA C 8 59.445 59.445 58.804 0.641 18808 1735 1 5 . 1 1 8 8 THR CB C 8 69.200 69.200 69.662 -0.462 18808 1736 1 5 . 1 1 8 8 THR H H 8 8.211 8.211 7.707 0.504 18808 1737 1 5 . 1 1 9 9 PRO CA C 9 62.885 62.885 62.419 0.466 18808 1738 1 5 . 1 1 9 9 PRO CB C 9 31.241 31.241 32.690 -1.449 18808 1739 1 5 . 1 1 10 10 LEU N N 10 121.874 121.874 123.760 -1.886 18808 1740 1 5 . 1 1 10 10 LEU HA H 10 4.257 4.257 4.081 0.176 18808 1741 1 5 . 1 1 10 10 LEU CA C 10 54.751 54.751 55.108 -0.357 18808 1742 1 5 . 1 1 10 10 LEU H H 10 8.245 8.245 8.212 0.033 18808 1743 1 5 . 1 1 11 11 ASP N N 11 120.266 120.266 123.164 -2.898 18808 1744 1 5 . 1 1 11 11 ASP CA C 11 53.652 53.652 53.972 -0.320 18808 1745 1 5 . 1 1 11 11 ASP CB C 11 40.760 40.760 42.661 -1.901 18808 1746 1 5 . 1 1 11 11 ASP H H 11 8.091 8.091 8.204 -0.113 18808 1747 1 5 . 1 1 12 12 PHE N N 12 121.243 121.243 123.150 -1.907 18808 1748 1 5 . 1 1 12 12 PHE CA C 12 55.502 55.502 54.956 0.546 18808 1749 1 5 . 1 1 12 12 PHE CB C 12 38.370 38.370 39.223 -0.853 18808 1750 1 5 . 1 1 12 12 PHE H H 12 8.058 8.058 8.166 -0.108 18808 1751 1 5 . 1 1 13 13 PRO CA C 13 63.035 63.035 63.512 -0.477 18808 1752 1 5 . 1 1 13 13 PRO CB C 13 31.024 31.024 32.053 -1.030 18808 1753 1 5 . 1 1 14 14 SER N N 14 115.993 115.993 119.265 -3.272 18808 1754 1 5 . 1 1 14 14 SER CA C 14 58.010 58.010 57.135 0.875 18808 1755 1 5 . 1 1 14 14 SER CB C 14 63.227 63.227 64.296 -1.069 18808 1756 1 5 . 1 1 14 14 SER H H 14 8.301 8.301 8.317 -0.016 18808 1757 1 5 . 1 1 15 15 LYS N N 15 123.610 123.610 120.813 2.797 18808 1758 1 5 . 1 1 15 15 LYS CA C 15 55.871 55.871 57.560 -1.689 18808 1759 1 5 . 1 1 15 15 LYS CB C 15 32.035 32.035 30.810 1.225 18808 1760 1 5 . 1 1 15 15 LYS H H 15 8.319 8.319 8.593 -0.274 18808 1761 1 5 . 1 1 18 18 LYS CB C 18 32.178 32.178 33.832 -1.654 18808 1762 1 5 . 1 1 19 19 ARG N N 19 121.722 121.722 121.909 -0.187 18808 1763 1 5 . 1 1 19 19 ARG CA C 19 55.272 55.272 55.478 -0.206 18808 1764 1 5 . 1 1 19 19 ARG CB C 19 30.231 30.231 31.689 -1.458 18808 1765 1 5 . 1 1 19 19 ARG H H 19 8.327 8.327 8.123 0.204 18808 1766 1 5 . 1 1 20 20 SER N N 20 116.915 116.915 120.221 -3.306 18808 1767 1 5 . 1 1 20 20 SER CA C 20 56.632 56.632 58.681 -2.049 18808 1768 1 5 . 1 1 20 20 SER CB C 20 63.767 63.767 63.777 -0.010 18808 1769 1 5 . 1 1 20 20 SER H H 20 8.455 8.455 8.603 -0.148 18808 1770 1 5 . 1 1 21 21 ARG N N 21 128.321 128.321 123.301 5.020 18808 1771 1 5 . 1 1 21 21 ARG CA C 21 56.363 56.363 56.246 0.117 18808 1772 1 5 . 1 1 21 21 ARG CB C 21 27.800 27.800 30.437 -2.637 18808 1773 1 5 . 1 1 21 21 ARG H H 21 10.106 10.106 8.796 1.310 18808 1774 1 5 . 1 1 22 22 TRP N N 22 122.075 122.075 120.798 1.277 18808 1775 1 5 . 1 1 22 22 TRP CA C 22 57.297 57.297 56.858 0.439 18808 1776 1 5 . 1 1 22 22 TRP CB C 22 28.494 28.494 28.651 -0.157 18808 1777 1 5 . 1 1 22 22 TRP H H 22 8.077 8.077 8.091 -0.014 18808 1778 1 5 . 1 1 23 23 ASN N N 23 122.985 122.985 120.006 2.979 18808 1779 1 5 . 1 1 23 23 ASN CA C 23 53.861 53.861 53.235 0.626 18808 1780 1 5 . 1 1 23 23 ASN CB C 23 38.205 38.205 39.408 -1.204 18808 1781 1 5 . 1 1 23 23 ASN H H 23 8.817 8.817 8.240 0.577 18808 1782 1 5 . 1 1 24 24 GLN N N 24 122.244 122.244 116.520 5.724 18808 1783 1 5 . 1 1 24 24 GLN CA C 24 55.338 55.338 55.887 -0.549 18808 1784 1 5 . 1 1 24 24 GLN CB C 24 28.621 28.621 29.769 -1.148 18808 1785 1 5 . 1 1 24 24 GLN H H 24 8.795 8.795 8.691 0.104 18808 1786 1 5 . 1 1 25 25 ASP N N 25 122.220 122.220 122.399 -0.179 18808 1787 1 5 . 1 1 25 25 ASP CA C 25 53.994 53.994 54.183 -0.189 18808 1788 1 5 . 1 1 25 25 ASP CB C 25 40.463 40.463 41.935 -1.472 18808 1789 1 5 . 1 1 25 25 ASP H H 25 8.612 8.612 8.148 0.465 18808 1790 1 5 . 1 1 26 26 THR N N 26 114.228 114.228 118.852 -4.624 18808 1791 1 5 . 1 1 26 26 THR CA C 26 61.524 61.524 61.094 0.430 18808 1792 1 5 . 1 1 26 26 THR CB C 26 69.198 69.198 70.823 -1.625 18808 1793 1 5 . 1 1 26 26 THR H H 26 8.158 8.158 8.256 -0.098 18808 1794 1 5 . 1 1 27 27 MET N N 27 121.829 121.829 122.695 -0.866 18808 1795 1 5 . 1 1 27 27 MET CA C 27 55.546 55.546 54.525 1.021 18808 1796 1 5 . 1 1 27 27 MET CB C 27 31.644 31.644 33.766 -2.122 18808 1797 1 5 . 1 1 27 27 MET H H 27 8.438 8.438 8.533 -0.095 18808 1798 1 5 . 1 1 30 30 LYS CA C 30 55.776 55.776 56.899 -1.123 18808 1799 1 5 . 1 1 30 30 LYS CB C 30 32.174 32.174 31.834 0.340 18808 1800 1 5 . 1 1 31 31 THR N N 31 116.696 116.696 114.082 2.614 18808 1801 1 5 . 1 1 31 31 THR CA C 31 61.760 61.760 62.245 -0.485 18808 1802 1 5 . 1 1 31 31 THR CB C 31 69.262 69.262 68.634 0.628 18808 1803 1 5 . 1 1 31 31 THR H H 31 8.214 8.214 8.160 0.054 18808 1804 1 5 . 1 1 32 32 VAL N N 32 124.581 124.581 128.547 -3.966 18808 1805 1 5 . 1 1 32 32 VAL CA C 32 61.964 61.964 61.349 0.615 18808 1806 1 5 . 1 1 32 32 VAL H H 32 8.262 8.262 8.612 -0.350 18808 1807 1 5 . 1 1 33 33 ILE N N 33 128.095 128.095 130.238 -2.143 18808 1808 1 5 . 1 1 33 33 ILE CA C 33 57.573 57.573 56.857 0.716 18808 1809 1 5 . 1 1 33 33 ILE H H 33 8.606 8.606 8.370 0.236 18808 1810 1 5 . 1 1 34 34 PRO CA C 34 63.255 63.255 62.524 0.731 18808 1811 1 5 . 1 1 34 34 PRO CB C 34 31.086 31.086 32.575 -1.489 18808 1812 1 5 . 1 1 35 35 GLY N N 35 110.169 110.169 108.734 1.435 18808 1813 1 5 . 1 1 35 35 GLY CA C 35 44.668 44.668 44.451 0.217 18808 1814 1 5 . 1 1 35 35 GLY H H 35 8.468 8.468 8.440 0.028 18808 1815 1 5 . 1 1 36 36 MET N N 36 121.185 121.185 118.928 2.257 18808 1816 1 5 . 1 1 36 36 MET HA H 36 4.833 4.833 4.958 -0.125 18808 1817 1 5 . 1 1 36 36 MET CA C 36 52.739 52.739 53.095 -0.356 18808 1818 1 5 . 1 1 36 36 MET CB C 36 32.162 32.162 34.260 -2.098 18808 1819 1 5 . 1 1 36 36 MET H H 36 8.235 8.235 8.264 -0.029 18808 1820 1 5 . 1 1 38 38 THR N N 38 113.487 113.487 111.993 1.494 18808 1821 1 5 . 1 1 38 38 THR H H 38 8.286 8.286 8.002 0.284 18808 1822 1 5 . 1 1 39 39 VAL CA C 39 61.780 61.780 61.297 0.483 18808 1823 1 5 . 1 1 40 40 ILE N N 40 127.358 127.358 129.763 -2.405 18808 1824 1 5 . 1 1 40 40 ILE CB C 40 36.993 36.993 38.531 -1.538 18808 1825 1 5 . 1 1 40 40 ILE H H 40 8.254 8.254 8.361 -0.107 18808 1826 1 5 . 1 1 42 42 PRO CA C 42 62.198 62.198 62.866 -0.668 18808 1827 1 5 . 1 1 42 42 PRO CB C 42 31.440 31.440 32.083 -0.642 18808 1828 1 5 . 1 1 43 43 GLY N N 43 107.143 107.143 109.523 -2.380 18808 1829 1 5 . 1 1 43 43 GLY CA C 43 45.443 45.443 44.877 0.566 18808 1830 1 5 . 1 1 43 43 GLY H H 43 8.405 8.405 8.349 0.056 18808 1831 1 5 . 1 1 44 44 LEU N N 44 120.813 120.813 118.812 2.001 18808 1832 1 5 . 1 1 44 44 LEU CA C 44 54.142 54.142 53.535 0.607 18808 1833 1 5 . 1 1 44 44 LEU H H 44 8.148 8.148 7.696 0.452 18808 1834 1 5 . 1 1 45 45 THR N N 45 113.080 113.080 110.068 3.012 18808 1835 1 5 . 1 1 45 45 THR CA C 45 60.668 60.668 60.644 0.024 18808 1836 1 5 . 1 1 45 45 THR CB C 45 70.540 70.540 70.798 -0.258 18808 1837 1 5 . 1 1 45 45 THR H H 45 8.571 8.571 8.199 0.372 18808 1838 1 5 . 1 1 46 46 ARG N N 46 120.920 120.920 122.418 -1.498 18808 1839 1 5 . 1 1 46 46 ARG CA C 46 59.422 59.422 59.180 0.242 18808 1840 1 5 . 1 1 46 46 ARG CB C 46 28.617 28.617 29.562 -0.945 18808 1841 1 5 . 1 1 46 46 ARG H H 46 8.814 8.814 8.946 -0.132 18808 1842 1 5 . 1 1 47 47 GLU N N 47 119.131 119.131 119.095 0.036 18808 1843 1 5 . 1 1 47 47 GLU CA C 47 59.797 59.797 59.642 0.155 18808 1844 1 5 . 1 1 47 47 GLU CB C 47 28.200 28.200 28.672 -0.472 18808 1845 1 5 . 1 1 47 47 GLU H H 47 8.836 8.836 8.651 0.185 18808 1846 1 5 . 1 1 48 48 GLN N N 48 119.702 119.702 119.541 0.161 18808 1847 1 5 . 1 1 48 48 GLN CA C 48 57.803 57.803 58.647 -0.844 18808 1848 1 5 . 1 1 48 48 GLN CB C 48 28.555 28.555 28.452 0.103 18808 1849 1 5 . 1 1 48 48 GLN H H 48 7.758 7.758 7.746 0.012 18808 1850 1 5 . 1 1 49 49 GLU N N 49 122.252 122.252 120.716 1.536 18808 1851 1 5 . 1 1 49 49 GLU CA C 49 59.663 59.663 59.903 -0.240 18808 1852 1 5 . 1 1 49 49 GLU CB C 49 28.792 28.792 29.602 -0.810 18808 1853 1 5 . 1 1 49 49 GLU H H 49 8.885 8.885 8.704 0.181 18808 1854 1 5 . 1 1 50 50 ARG N N 50 118.823 118.823 118.695 0.128 18808 1855 1 5 . 1 1 50 50 ARG CA C 50 57.785 57.785 58.152 -0.367 18808 1856 1 5 . 1 1 50 50 ARG CB C 50 27.889 27.889 29.466 -1.577 18808 1857 1 5 . 1 1 50 50 ARG H H 50 7.925 7.925 7.620 0.305 18808 1858 1 5 . 1 1 51 51 ALA N N 51 119.205 119.205 123.002 -3.797 18808 1859 1 5 . 1 1 51 51 ALA CA C 51 54.557 54.557 54.938 -0.381 18808 1860 1 5 . 1 1 51 51 ALA CB C 51 17.465 17.465 18.145 -0.680 18808 1861 1 5 . 1 1 51 51 ALA H H 51 7.978 7.978 7.993 -0.015 18808 1862 1 5 . 1 1 52 52 TYR N N 52 119.802 119.802 118.511 1.291 18808 1863 1 5 . 1 1 52 52 TYR CA C 52 61.401 61.401 61.305 0.096 18808 1864 1 5 . 1 1 52 52 TYR H H 52 7.976 7.976 8.073 -0.097 18808 1865 1 5 . 1 1 53 53 ILE N N 53 118.566 118.566 118.453 0.113 18808 1866 1 5 . 1 1 53 53 ILE CA C 53 63.981 63.981 62.881 1.100 18808 1867 1 5 . 1 1 53 53 ILE CB C 53 37.334 37.334 37.178 0.156 18808 1868 1 5 . 1 1 53 53 ILE H H 53 7.934 7.934 8.069 -0.135 18808 1869 1 5 . 1 1 54 54 VAL N N 54 121.327 121.327 118.772 2.555 18808 1870 1 5 . 1 1 54 54 VAL HA H 54 3.531 3.531 3.605 -0.074 18808 1871 1 5 . 1 1 54 54 VAL CA C 54 66.363 66.363 66.698 -0.335 18808 1872 1 5 . 1 1 54 54 VAL H H 54 8.563 8.563 8.625 -0.062 18808 1873 1 5 . 1 1 55 55 GLN N N 55 119.475 119.475 120.703 -1.228 18808 1874 1 5 . 1 1 55 55 GLN CA C 55 59.584 59.584 59.148 0.436 18808 1875 1 5 . 1 1 55 55 GLN CB C 55 27.312 27.312 28.627 -1.315 18808 1876 1 5 . 1 1 55 55 GLN H H 55 8.207 8.207 8.108 0.099 18808 1877 1 5 . 1 1 56 56 LEU N N 56 120.914 120.914 119.512 1.402 18808 1878 1 5 . 1 1 56 56 LEU H H 56 7.780 7.780 7.495 0.285 18808 1879 1 5 . 1 1 57 57 GLN N N 57 122.652 122.652 118.682 3.970 18808 1880 1 5 . 1 1 57 57 GLN CA C 57 58.722 58.722 58.855 -0.133 18808 1881 1 5 . 1 1 57 57 GLN H H 57 8.363 8.363 7.682 0.681 18808 1882 1 5 . 1 1 58 58 ILE N N 58 120.955 120.955 121.012 -0.057 18808 1883 1 5 . 1 1 58 58 ILE CA C 58 66.631 66.631 66.090 0.541 18808 1884 1 5 . 1 1 58 58 ILE H H 58 8.876 8.876 8.691 0.185 18808 1885 1 5 . 1 1 59 59 GLU N N 59 122.355 122.355 119.470 2.885 18808 1886 1 5 . 1 1 59 59 GLU CA C 59 59.308 59.308 59.608 -0.300 18808 1887 1 5 . 1 1 59 59 GLU CB C 59 29.193 29.193 29.106 0.087 18808 1888 1 5 . 1 1 59 59 GLU H H 59 8.365 8.365 8.474 -0.109 18808 1889 1 5 . 1 1 61 61 LEU CA C 61 57.885 57.885 58.259 -0.374 18808 1890 1 5 . 1 1 62 62 THR N N 62 115.812 115.812 115.091 0.721 18808 1891 1 5 . 1 1 62 62 THR HA H 62 3.804 3.804 3.887 -0.083 18808 1892 1 5 . 1 1 62 62 THR CA C 62 67.067 67.067 67.102 -0.035 18808 1893 1 5 . 1 1 62 62 THR CB C 62 68.378 68.378 68.541 -0.163 18808 1894 1 5 . 1 1 62 62 THR H H 62 8.417 8.417 8.336 0.081 18808 1895 1 5 . 1 1 65 65 LEU N N 65 118.411 118.411 115.376 3.035 18808 1896 1 5 . 1 1 65 65 LEU CA C 65 56.765 56.765 57.377 -0.612 18808 1897 1 5 . 1 1 65 65 LEU H H 65 8.196 8.196 7.684 0.512 18808 1898 1 5 . 1 1 66 66 ARG N N 66 119.024 119.024 118.267 0.757 18808 1899 1 5 . 1 1 66 66 ARG CA C 66 57.751 57.751 58.482 -0.731 18808 1900 1 5 . 1 1 66 66 ARG CB C 66 29.682 29.682 30.540 -0.858 18808 1901 1 5 . 1 1 66 66 ARG H H 66 8.199 8.199 8.217 -0.018 18808 1902 1 5 . 1 1 67 67 THR N N 67 109.711 109.711 109.644 0.067 18808 1903 1 5 . 1 1 67 67 THR HA H 67 4.357 4.357 4.450 -0.093 18808 1904 1 5 . 1 1 67 67 THR CA C 67 62.199 62.199 61.340 0.859 18808 1905 1 5 . 1 1 67 67 THR CB C 67 70.266 70.266 69.966 0.300 18808 1906 1 5 . 1 1 67 67 THR H H 67 7.993 7.993 8.084 -0.091 18808 1907 1 5 . 1 1 68 68 GLY N N 68 110.782 110.782 110.667 0.115 18808 1908 1 5 . 1 1 68 68 GLY CA C 68 45.519 45.519 45.100 0.419 18808 1909 1 5 . 1 1 68 68 GLY H H 68 8.065 8.065 7.910 0.155 18808 1910 1 5 . 1 1 69 69 ASP N N 69 121.620 121.620 120.347 1.273 18808 1911 1 5 . 1 1 69 69 ASP CA C 69 53.196 53.196 53.995 -0.799 18808 1912 1 5 . 1 1 69 69 ASP CB C 69 39.719 39.719 40.966 -1.247 18808 1913 1 5 . 1 1 69 69 ASP H H 69 8.096 8.096 7.846 0.250 18808 1914 1 5 . 1 1 70 70 LEU N N 70 120.862 120.862 127.114 -6.252 18808 1915 1 5 . 1 1 70 70 LEU CA C 70 54.820 54.820 55.076 -0.256 18808 1916 1 5 . 1 1 70 70 LEU H H 70 8.023 8.023 7.653 0.370 18808 1917 1 5 . 1 1 71 71 GLY N N 71 108.143 108.143 104.978 3.165 18808 1918 1 5 . 1 1 71 71 GLY CA C 71 45.026 45.026 45.080 -0.054 18808 1919 1 5 . 1 1 71 71 GLY H H 71 8.433 8.433 8.092 0.341 18808 1920 1 5 . 1 1 72 72 ILE N N 72 121.288 121.288 124.109 -2.821 18808 1921 1 5 . 1 1 72 72 ILE CA C 72 58.132 58.132 57.511 0.621 18808 1922 1 5 . 1 1 72 72 ILE CB C 72 37.749 37.749 37.730 0.020 18808 1923 1 5 . 1 1 72 72 ILE H H 72 7.863 7.863 7.768 0.095 18808 1924 1 5 . 1 1 73 73 PRO HA H 73 4.665 4.665 4.683 -0.018 18808 1925 1 5 . 1 1 73 73 PRO CA C 73 61.094 61.094 61.253 -0.159 18808 1926 1 5 . 1 1 74 74 PRO CA C 74 62.599 62.599 63.225 -0.626 18808 1927 1 5 . 1 1 74 74 PRO CB C 74 31.140 31.140 31.807 -0.667 18808 1928 1 5 . 1 1 75 75 ASN N N 75 119.457 119.457 122.515 -3.058 18808 1929 1 5 . 1 1 75 75 ASN HA H 75 4.972 4.972 4.882 0.090 18808 1930 1 5 . 1 1 75 75 ASN CA C 75 50.708 50.708 52.249 -1.541 18808 1931 1 5 . 1 1 75 75 ASN CB C 75 38.220 38.220 38.964 -0.744 18808 1932 1 5 . 1 1 75 75 ASN H H 75 8.476 8.476 8.401 0.075 18808 1933 1 5 . 1 1 76 76 PRO HA H 76 4.331 4.331 4.415 -0.084 18808 1934 1 5 . 1 1 76 76 PRO CA C 76 63.643 63.643 63.345 0.298 18808 1935 1 5 . 1 1 76 76 PRO CB C 76 31.191 31.191 31.976 -0.785 18808 1936 1 5 . 1 1 77 77 GLU N N 77 118.567 118.567 120.212 -1.645 18808 1937 1 5 . 1 1 77 77 GLU HA H 77 4.223 4.223 4.317 -0.094 18808 1938 1 5 . 1 1 77 77 GLU CA C 77 56.457 56.457 55.915 0.542 18808 1939 1 5 . 1 1 77 77 GLU CB C 77 28.811 28.811 29.798 -0.987 18808 1940 1 5 . 1 1 77 77 GLU H H 77 8.491 8.491 8.000 0.491 18808 1941 1 5 . 1 1 78 78 ASP N N 78 120.557 120.557 123.336 -2.779 18808 1942 1 5 . 1 1 78 78 ASP CA C 78 54.073 54.073 54.467 -0.394 18808 1943 1 5 . 1 1 78 78 ASP CB C 78 40.455 40.455 41.322 -0.867 18808 1944 1 5 . 1 1 78 78 ASP H H 78 8.015 8.015 8.395 -0.380 18808 1945 1 5 . 1 1 79 79 ARG N N 79 121.090 121.090 124.506 -3.416 18808 1946 1 5 . 1 1 79 79 ARG CA C 79 55.406 55.406 54.803 0.603 18808 1947 1 5 . 1 1 79 79 ARG CB C 79 29.636 29.636 31.319 -1.683 18808 1948 1 5 . 1 1 79 79 ARG H H 79 8.120 8.120 8.353 -0.233 18808 1949 1 5 . 1 1 80 80 SER N N 80 118.342 118.342 116.490 1.852 18808 1950 1 5 . 1 1 80 80 SER HA H 80 4.704 4.704 4.360 0.344 18808 1951 1 5 . 1 1 80 80 SER CA C 80 56.232 56.232 57.823 -1.591 18808 1952 1 5 . 1 1 80 80 SER CB C 80 62.761 62.761 63.572 -0.811 18808 1953 1 5 . 1 1 80 80 SER H H 80 8.337 8.337 8.524 -0.187 18808 1954 1 5 . 1 1 81 81 PRO CA C 81 62.870 62.870 63.127 -0.257 18808 1955 1 5 . 1 1 81 81 PRO CB C 81 31.134 31.134 32.230 -1.096 18808 1956 1 5 . 1 1 82 82 SER N N 82 117.424 117.424 118.980 -1.556 18808 1957 1 5 . 1 1 82 82 SER HA H 82 4.726 4.726 4.748 -0.022 18808 1958 1 5 . 1 1 82 82 SER CA C 82 55.808 55.808 56.425 -0.618 18808 1959 1 5 . 1 1 82 82 SER CB C 82 62.903 62.903 64.182 -1.279 18808 1960 1 5 . 1 1 82 82 SER H H 82 8.358 8.358 8.203 0.155 18808 1961 1 5 . 1 1 83 83 PRO CA C 83 62.778 62.778 63.912 -1.134 18808 1962 1 5 . 1 1 84 84 GLU N N 84 122.184 122.184 119.066 3.118 18808 1963 1 5 . 1 1 84 84 GLU HA H 84 4.539 4.539 4.757 -0.218 18808 1964 1 5 . 1 1 84 84 GLU CA C 84 53.934 53.934 53.163 0.771 18808 1965 1 5 . 1 1 84 84 GLU CB C 84 28.861 28.861 30.312 -1.451 18808 1966 1 5 . 1 1 84 84 GLU H H 84 8.295 8.295 8.458 -0.163 18808 1967 1 5 . 1 1 85 85 PRO CA C 85 62.675 62.675 63.034 -0.359 18808 1968 1 5 . 1 1 85 85 PRO CB C 85 31.123 31.123 30.870 0.253 18808 1969 1 5 . 1 1 86 86 ILE N N 86 120.522 120.522 119.864 0.658 18808 1970 1 5 . 1 1 86 86 ILE CA C 86 60.553 60.553 60.830 -0.277 18808 1971 1 5 . 1 1 86 86 ILE CB C 86 38.305 38.305 37.576 0.729 18808 1972 1 5 . 1 1 86 86 ILE H H 86 8.052 8.052 7.921 0.131 18808 1973 1 5 . 1 1 87 87 TYR N N 87 123.178 123.178 126.619 -3.441 18808 1974 1 5 . 1 1 87 87 TYR HA H 87 4.905 4.905 4.392 0.513 18808 1975 1 5 . 1 1 87 87 TYR CA C 87 56.744 56.744 59.000 -2.256 18808 1976 1 5 . 1 1 87 87 TYR CB C 87 39.324 39.324 39.023 0.301 18808 1977 1 5 . 1 1 87 87 TYR H H 87 8.272 8.272 8.920 -0.648 18808 1978 1 5 . 1 1 88 88 ASN N N 88 120.123 120.123 116.831 3.292 18808 1979 1 5 . 1 1 88 88 ASN HA H 88 4.801 4.801 4.646 0.155 18808 1980 1 5 . 1 1 88 88 ASN CA C 88 51.734 51.734 53.090 -1.356 18808 1981 1 5 . 1 1 88 88 ASN CB C 88 38.209 38.209 39.321 -1.112 18808 1982 1 5 . 1 1 88 88 ASN H H 88 8.466 8.466 8.042 0.424 18808 1983 1 5 . 1 1 89 89 SER N N 89 115.872 115.872 114.968 0.904 18808 1984 1 5 . 1 1 89 89 SER HA H 89 4.276 4.276 4.315 -0.039 18808 1985 1 5 . 1 1 89 89 SER CA C 89 59.589 59.589 59.267 0.322 18808 1986 1 5 . 1 1 89 89 SER CB C 89 62.695 62.695 63.602 -0.907 18808 1987 1 5 . 1 1 89 89 SER H H 89 8.460 8.460 8.568 -0.108 18808 1988 1 5 . 1 1 90 90 GLU CA C 90 56.320 56.320 56.776 -0.456 18808 1989 1 5 . 1 1 90 90 GLU CB C 90 29.074 29.074 29.586 -0.512 18808 1990 1 5 . 1 1 91 91 GLY N N 91 108.520 108.520 108.469 0.051 18808 1991 1 5 . 1 1 91 91 GLY CA C 91 45.175 45.175 45.853 -0.678 18808 1992 1 5 . 1 1 91 91 GLY H H 91 8.245 8.245 8.465 -0.220 18808 1993 1 5 . 1 1 92 92 LYS N N 92 120.880 120.880 122.512 -1.632 18808 1994 1 5 . 1 1 92 92 LYS CA C 92 55.393 55.393 56.426 -1.033 18808 1995 1 5 . 1 1 92 92 LYS CB C 92 32.047 32.047 33.063 -1.016 18808 1996 1 5 . 1 1 92 92 LYS H H 92 8.022 8.022 8.633 -0.611 18808 1997 1 5 . 1 1 93 93 ARG N N 93 123.484 123.484 122.227 1.257 18808 1998 1 5 . 1 1 93 93 ARG HA H 93 4.230 4.230 4.408 -0.178 18808 1999 1 5 . 1 1 93 93 ARG CA C 93 55.894 55.894 55.809 0.085 18808 2000 1 5 . 1 1 93 93 ARG CB C 93 30.480 30.480 29.988 0.492 18808 2001 1 5 . 1 1 93 93 ARG H H 93 8.476 8.476 8.064 0.412 18808 2002 1 5 . 1 1 94 94 LEU N N 94 124.336 124.336 121.548 2.788 18808 2003 1 5 . 1 1 94 94 LEU HA H 94 4.323 4.323 4.599 -0.276 18808 2004 1 5 . 1 1 94 94 LEU CA C 94 54.606 54.606 55.016 -0.410 18808 2005 1 5 . 1 1 94 94 LEU H H 94 8.391 8.391 8.138 0.253 18808 2006 1 5 . 1 1 95 95 ASN N N 95 119.662 119.662 115.533 4.129 18808 2007 1 5 . 1 1 95 95 ASN HA H 95 4.793 4.793 4.830 -0.037 18808 2008 1 5 . 1 1 95 95 ASN CA C 95 52.490 52.490 52.626 -0.136 18808 2009 1 5 . 1 1 95 95 ASN CB C 95 38.070 38.070 38.333 -0.263 18808 2010 1 5 . 1 1 95 95 ASN H H 95 8.533 8.533 7.609 0.924 18808 2011 1 5 . 1 1 96 96 THR N N 96 114.180 114.180 116.864 -2.684 18808 2012 1 5 . 1 1 96 96 THR CA C 96 62.469 62.469 64.373 -1.904 18808 2013 1 5 . 1 1 96 96 THR H H 96 8.128 8.128 8.206 -0.078 18808 2014 1 5 . 1 1 97 97 ARG N N 97 122.577 122.577 123.029 -0.452 18808 2015 1 5 . 1 1 97 97 ARG CA C 97 58.053 58.053 59.666 -1.613 18808 2016 1 5 . 1 1 97 97 ARG H H 97 8.626 8.626 8.571 0.055 18808 2017 1 5 . 1 1 98 98 GLU N N 98 121.594 121.594 119.723 1.871 18808 2018 1 5 . 1 1 98 98 GLU CA C 98 58.320 58.320 59.480 -1.160 18808 2019 1 5 . 1 1 98 98 GLU H H 98 8.607 8.607 8.772 -0.165 18808 2020 1 5 . 1 1 100 100 ARG CA C 100 58.113 58.113 59.977 -1.864 18808 2021 1 5 . 1 1 101 101 THR N N 101 115.806 115.806 116.211 -0.405 18808 2022 1 5 . 1 1 101 101 THR HA H 101 3.987 3.987 4.048 -0.061 18808 2023 1 5 . 1 1 101 101 THR CA C 101 64.627 64.627 66.460 -1.833 18808 2024 1 5 . 1 1 101 101 THR H H 101 8.091 8.091 7.955 0.136 18808 2025 1 5 . 1 1 102 102 ARG N N 102 122.017 122.017 120.899 1.118 18808 2026 1 5 . 1 1 102 102 ARG CA C 102 60.055 60.055 59.910 0.145 18808 2027 1 5 . 1 1 102 102 ARG H H 102 8.430 8.430 8.426 0.004 18808 2028 1 5 . 1 1 103 103 LYS N N 103 117.689 117.689 119.778 -2.089 18808 2029 1 5 . 1 1 103 103 LYS CA C 103 58.573 58.573 58.218 0.355 18808 2030 1 5 . 1 1 103 103 LYS H H 103 7.975 7.975 8.272 -0.297 18808 2031 1 5 . 1 1 104 104 LYS N N 104 119.765 119.765 119.850 -0.085 18808 2032 1 5 . 1 1 104 104 LYS CA C 104 58.500 58.500 58.699 -0.199 18808 2033 1 5 . 1 1 104 104 LYS CB C 104 31.083 31.083 31.780 -0.697 18808 2034 1 5 . 1 1 104 104 LYS H H 104 7.674 7.674 7.571 0.103 18808 2035 1 5 . 1 1 105 105 LEU N N 105 120.812 120.812 118.964 1.848 18808 2036 1 5 . 1 1 105 105 LEU CA C 105 57.813 57.813 58.132 -0.319 18808 2037 1 5 . 1 1 105 105 LEU H H 105 8.120 8.120 7.919 0.201 18808 2038 1 5 . 1 1 106 106 GLU N N 106 118.877 118.877 118.903 -0.026 18808 2039 1 5 . 1 1 106 106 GLU CA C 106 59.150 59.150 59.764 -0.614 18808 2040 1 5 . 1 1 106 106 GLU CB C 106 29.012 29.012 29.221 -0.209 18808 2041 1 5 . 1 1 106 106 GLU H H 106 8.707 8.707 8.026 0.681 18808 2042 1 5 . 1 1 107 107 GLU N N 107 122.176 122.176 118.969 3.207 18808 2043 1 5 . 1 1 107 107 GLU H H 107 8.357 8.357 8.238 0.119 18808 2044 1 5 . 1 1 108 108 GLU N N 108 121.565 121.565 119.713 1.852 18808 2045 1 5 . 1 1 108 108 GLU H H 108 8.322 8.322 8.047 0.275 18808 2046 1 5 . 1 1 109 109 ARG N N 109 118.431 118.431 119.922 -1.491 18808 2047 1 5 . 1 1 109 109 ARG H H 109 8.613 8.613 8.254 0.359 18808 2048 1 5 . 1 1 110 110 HIS N N 110 119.577 119.577 118.460 1.117 18808 2049 1 5 . 1 1 110 110 HIS CA C 110 60.031 60.031 59.252 0.779 18808 2050 1 5 . 1 1 110 110 HIS H H 110 8.541 8.541 8.655 -0.114 18808 2051 1 5 . 1 1 111 111 ASN N N 111 119.551 119.551 118.482 1.069 18808 2052 1 5 . 1 1 111 111 ASN CB C 111 36.981 36.981 38.332 -1.351 18808 2053 1 5 . 1 1 111 111 ASN H H 111 8.401 8.401 8.203 0.198 18808 2054 1 5 . 1 1 112 112 LEU N N 112 121.995 121.995 119.964 2.031 18808 2055 1 5 . 1 1 112 112 LEU CA C 112 57.434 57.434 57.712 -0.278 18808 2056 1 5 . 1 1 112 112 LEU H H 112 8.088 8.088 7.612 0.476 18808 2057 1 5 . 1 1 113 113 ILE N N 113 121.510 121.510 120.734 0.776 18808 2058 1 5 . 1 1 113 113 ILE CA C 113 65.489 65.489 64.580 0.909 18808 2059 1 5 . 1 1 113 113 ILE H H 113 8.527 8.527 8.601 -0.074 18808 2060 1 5 . 1 1 114 114 THR N N 114 115.127 115.127 116.122 -0.995 18808 2061 1 5 . 1 1 114 114 THR HA H 114 3.748 3.748 3.922 -0.174 18808 2062 1 5 . 1 1 114 114 THR CA C 114 66.173 66.173 67.591 -1.418 18808 2063 1 5 . 1 1 114 114 THR CB C 114 68.210 68.210 68.388 -0.178 18808 2064 1 5 . 1 1 114 114 THR H H 114 8.102 8.102 8.425 -0.323 18808 2065 1 5 . 1 1 115 115 GLU N N 115 123.316 123.316 122.133 1.183 18808 2066 1 5 . 1 1 115 115 GLU CA C 115 58.663 58.663 59.220 -0.557 18808 2067 1 5 . 1 1 115 115 GLU CB C 115 28.390 28.390 29.569 -1.179 18808 2068 1 5 . 1 1 115 115 GLU H H 115 7.473 7.473 7.518 -0.045 18808 2069 1 5 . 1 1 116 116 MET N N 116 119.934 119.934 119.888 0.046 18808 2070 1 5 . 1 1 116 116 MET CA C 116 56.561 56.561 59.208 -2.647 18808 2071 1 5 . 1 1 116 116 MET H H 116 8.442 8.442 8.516 -0.074 18808 2072 1 5 . 1 1 117 117 VAL N N 117 117.688 117.688 119.856 -2.168 18808 2073 1 5 . 1 1 117 117 VAL HA H 117 3.946 3.946 4.176 -0.230 18808 2074 1 5 . 1 1 117 117 VAL CA C 117 61.989 61.989 66.124 -4.135 18808 2075 1 5 . 1 1 117 117 VAL H H 117 8.332 8.332 8.620 -0.288 18808 2076 1 5 . 1 1 118 118 ALA N N 118 120.568 120.568 121.902 -1.334 18808 2077 1 5 . 1 1 118 118 ALA HA H 118 4.173 4.173 4.137 0.036 18808 2078 1 5 . 1 1 118 118 ALA CA C 118 53.531 53.531 54.858 -1.327 18808 2079 1 5 . 1 1 118 118 ALA CB C 118 17.606 17.606 18.653 -1.047 18808 2080 1 5 . 1 1 118 118 ALA H H 118 7.143 7.143 7.494 -0.351 18808 2081 1 5 . 1 1 119 119 LEU N N 119 118.032 118.032 118.177 -0.145 18808 2082 1 5 . 1 1 119 119 LEU CA C 119 56.245 56.245 56.502 -0.257 18808 2083 1 5 . 1 1 119 119 LEU H H 119 7.585 7.585 8.066 -0.481 18808 2084 1 5 . 1 1 120 120 ASN N N 120 115.407 115.407 115.564 -0.157 18808 2085 1 5 . 1 1 120 120 ASN HA H 120 5.065 5.065 5.106 -0.041 18808 2086 1 5 . 1 1 120 120 ASN CA C 120 49.613 49.613 50.027 -0.414 18808 2087 1 5 . 1 1 120 120 ASN CB C 120 38.651 38.651 39.846 -1.195 18808 2088 1 5 . 1 1 120 120 ASN H H 120 8.512 8.512 8.106 0.406 18808 2089 1 5 . 1 1 121 121 PRO HA H 121 4.711 4.711 4.556 0.155 18808 2090 1 5 . 1 1 121 121 PRO CA C 121 63.796 63.796 64.587 -0.791 18808 2091 1 5 . 1 1 121 121 PRO CB C 121 31.383 31.383 32.334 -0.951 18808 2092 1 5 . 1 1 122 122 ASP N N 122 115.768 115.768 117.491 -1.723 18808 2093 1 5 . 1 1 122 122 ASP CA C 122 53.863 53.863 53.704 0.159 18808 2094 1 5 . 1 1 122 122 ASP CB C 122 40.647 40.647 41.544 -0.897 18808 2095 1 5 . 1 1 122 122 ASP H H 122 7.676 7.676 7.977 -0.301 18808 2096 1 5 . 1 1 123 123 PHE N N 123 122.733 122.733 121.633 1.100 18808 2097 1 5 . 1 1 123 123 PHE HA H 123 4.181 4.181 4.348 -0.167 18808 2098 1 5 . 1 1 123 123 PHE CA C 123 58.501 58.501 58.721 -0.220 18808 2099 1 5 . 1 1 123 123 PHE CB C 123 38.660 38.660 39.602 -0.943 18808 2100 1 5 . 1 1 123 123 PHE H H 123 7.989 7.989 7.414 0.575 18808 2101 1 5 . 1 1 124 124 LYS N N 124 129.392 129.392 128.590 0.802 18808 2102 1 5 . 1 1 124 124 LYS HA H 124 4.592 4.592 4.367 0.225 18808 2103 1 5 . 1 1 124 124 LYS CA C 124 51.210 51.210 51.959 -0.749 18808 2104 1 5 . 1 1 124 124 LYS CB C 124 31.495 31.495 31.887 -0.392 18808 2105 1 5 . 1 1 124 124 LYS H H 124 7.686 7.686 8.279 -0.593 18808 2106 1 5 . 1 1 125 125 PRO HA H 125 4.139 4.139 4.123 0.016 18808 2107 1 5 . 1 1 125 125 PRO CA C 125 60.556 60.556 61.206 -0.650 18808 2108 1 5 . 1 1 126 126 PRO HA H 126 4.771 4.771 4.339 0.432 18808 2109 1 5 . 1 1 126 126 PRO CA C 126 62.246 62.246 62.972 -0.726 18808 2110 1 5 . 1 1 126 126 PRO CB C 126 31.352 31.352 32.180 -0.828 18808 2111 1 5 . 1 1 127 127 ALA N N 127 123.830 123.830 124.549 -0.719 18808 2112 1 5 . 1 1 127 127 ALA HA H 127 4.105 4.105 4.106 -0.001 18808 2113 1 5 . 1 1 127 127 ALA CA C 127 54.149 54.149 54.559 -0.409 18808 2114 1 5 . 1 1 127 127 ALA CB C 127 18.076 18.076 18.838 -0.762 18808 2115 1 5 . 1 1 127 127 ALA H H 127 8.691 8.691 8.602 0.089 18808 2116 1 5 . 1 1 128 128 ASP N N 128 112.954 112.954 115.451 -2.497 18808 2117 1 5 . 1 1 128 128 ASP CA C 128 53.203 53.203 54.166 -0.963 18808 2118 1 5 . 1 1 128 128 ASP CB C 128 39.728 39.728 40.204 -0.476 18808 2119 1 5 . 1 1 128 128 ASP H H 128 8.403 8.403 8.403 0.000 18808 2120 1 5 . 1 1 129 129 TYR N N 129 121.200 121.200 123.096 -1.896 18808 2121 1 5 . 1 1 129 129 TYR CA C 129 57.918 57.918 59.339 -1.421 18808 2122 1 5 . 1 1 129 129 TYR CB C 129 38.075 38.075 38.704 -0.629 18808 2123 1 5 . 1 1 129 129 TYR H H 129 7.650 7.650 7.362 0.287 18808 2124 1 5 . 1 1 130 130 LYS N N 130 129.878 129.878 128.981 0.897 18808 2125 1 5 . 1 1 130 130 LYS HA H 130 4.361 4.361 4.411 -0.050 18808 2126 1 5 . 1 1 130 130 LYS CA C 130 52.063 52.063 52.090 -0.027 18808 2127 1 5 . 1 1 130 130 LYS CB C 130 32.565 32.565 32.063 0.502 18808 2128 1 5 . 1 1 130 130 LYS H H 130 7.784 7.784 7.931 -0.147 18808 2129 1 5 . 1 1 132 132 PRO CA C 132 62.394 62.394 63.165 -0.771 18808 2130 1 5 . 1 1 132 132 PRO CB C 132 29.945 29.945 32.564 -2.619 18808 2131 1 5 . 1 1 133 133 ALA N N 133 124.238 124.238 125.508 -1.270 18808 2132 1 5 . 1 1 133 133 ALA HA H 133 4.293 4.293 4.414 -0.121 18808 2133 1 5 . 1 1 133 133 ALA CA C 133 52.004 52.004 52.920 -0.916 18808 2134 1 5 . 1 1 133 133 ALA CB C 133 18.521 18.521 19.248 -0.727 18808 2135 1 5 . 1 1 133 133 ALA H H 133 8.375 8.375 8.331 0.044 18808 2136 1 6 . 1 1 3 3 THR N N 3 118.281 118.281 112.033 6.248 18808 2137 1 6 . 1 1 3 3 THR HA H 3 4.220 4.220 4.419 -0.199 18808 2138 1 6 . 1 1 3 3 THR CA C 3 61.481 61.481 61.158 0.323 18808 2139 1 6 . 1 1 3 3 THR CB C 3 69.427 69.427 70.214 -0.787 18808 2140 1 6 . 1 1 3 3 THR H H 3 8.283 8.283 7.713 0.570 18808 2141 1 6 . 1 1 4 4 GLY N N 4 111.418 111.418 110.966 0.452 18808 2142 1 6 . 1 1 4 4 GLY CA C 4 44.811 44.811 44.894 -0.083 18808 2143 1 6 . 1 1 4 4 GLY H H 4 8.445 8.445 8.504 -0.059 18808 2144 1 6 . 1 1 5 5 ALA N N 5 123.764 123.764 123.433 0.331 18808 2145 1 6 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.284 0.040 18808 2146 1 6 . 1 1 5 5 ALA CA C 5 52.237 52.237 51.640 0.597 18808 2147 1 6 . 1 1 5 5 ALA CB C 5 18.688 18.688 19.590 -0.902 18808 2148 1 6 . 1 1 5 5 ALA H H 5 8.229 8.229 7.450 0.779 18808 2149 1 6 . 1 1 6 6 ASN N N 6 117.534 117.534 120.440 -2.906 18808 2150 1 6 . 1 1 6 6 ASN HA H 6 4.672 4.672 4.655 0.017 18808 2151 1 6 . 1 1 6 6 ASN CA C 6 52.760 52.760 53.261 -0.501 18808 2152 1 6 . 1 1 6 6 ASN CB C 6 38.294 38.294 38.175 0.119 18808 2153 1 6 . 1 1 6 6 ASN H H 6 8.426 8.426 8.705 -0.279 18808 2154 1 6 . 1 1 7 7 ALA N N 7 124.230 124.230 126.649 -2.419 18808 2155 1 6 . 1 1 7 7 ALA HA H 7 4.375 4.375 4.477 -0.102 18808 2156 1 6 . 1 1 7 7 ALA CA C 7 52.033 52.033 53.241 -1.208 18808 2157 1 6 . 1 1 7 7 ALA CB C 7 18.611 18.611 19.703 -1.092 18808 2158 1 6 . 1 1 7 7 ALA H H 7 8.171 8.171 8.145 0.026 18808 2159 1 6 . 1 1 8 8 THR N N 8 116.291 116.291 114.582 1.709 18808 2160 1 6 . 1 1 8 8 THR HA H 8 4.613 4.613 4.709 -0.096 18808 2161 1 6 . 1 1 8 8 THR CA C 8 59.445 59.445 59.692 -0.247 18808 2162 1 6 . 1 1 8 8 THR CB C 8 69.200 69.200 69.761 -0.561 18808 2163 1 6 . 1 1 8 8 THR H H 8 8.211 8.211 7.863 0.348 18808 2164 1 6 . 1 1 9 9 PRO CA C 9 62.885 62.885 62.068 0.817 18808 2165 1 6 . 1 1 9 9 PRO CB C 9 31.241 31.241 32.475 -1.234 18808 2166 1 6 . 1 1 10 10 LEU N N 10 121.874 121.874 119.157 2.717 18808 2167 1 6 . 1 1 10 10 LEU HA H 10 4.257 4.257 4.230 0.027 18808 2168 1 6 . 1 1 10 10 LEU CA C 10 54.751 54.751 55.858 -1.107 18808 2169 1 6 . 1 1 10 10 LEU H H 10 8.245 8.245 8.311 -0.066 18808 2170 1 6 . 1 1 11 11 ASP N N 11 120.266 120.266 120.207 0.059 18808 2171 1 6 . 1 1 11 11 ASP CA C 11 53.652 53.652 54.068 -0.416 18808 2172 1 6 . 1 1 11 11 ASP CB C 11 40.760 40.760 40.999 -0.239 18808 2173 1 6 . 1 1 11 11 ASP H H 11 8.091 8.091 8.046 0.045 18808 2174 1 6 . 1 1 12 12 PHE N N 12 121.243 121.243 122.733 -1.490 18808 2175 1 6 . 1 1 12 12 PHE CA C 12 55.502 55.502 54.341 1.161 18808 2176 1 6 . 1 1 12 12 PHE CB C 12 38.370 38.370 38.271 0.099 18808 2177 1 6 . 1 1 12 12 PHE H H 12 8.058 8.058 8.129 -0.071 18808 2178 1 6 . 1 1 13 13 PRO CA C 13 63.035 63.035 63.542 -0.507 18808 2179 1 6 . 1 1 13 13 PRO CB C 13 31.024 31.024 31.984 -0.960 18808 2180 1 6 . 1 1 14 14 SER N N 14 115.993 115.993 118.332 -2.339 18808 2181 1 6 . 1 1 14 14 SER CA C 14 58.010 58.010 56.538 1.472 18808 2182 1 6 . 1 1 14 14 SER CB C 14 63.227 63.227 64.340 -1.113 18808 2183 1 6 . 1 1 14 14 SER H H 14 8.301 8.301 8.113 0.188 18808 2184 1 6 . 1 1 15 15 LYS N N 15 123.610 123.610 120.533 3.077 18808 2185 1 6 . 1 1 15 15 LYS CA C 15 55.871 55.871 57.578 -1.707 18808 2186 1 6 . 1 1 15 15 LYS CB C 15 32.035 32.035 30.766 1.269 18808 2187 1 6 . 1 1 15 15 LYS H H 15 8.319 8.319 8.545 -0.226 18808 2188 1 6 . 1 1 18 18 LYS CB C 18 32.178 32.178 33.844 -1.666 18808 2189 1 6 . 1 1 19 19 ARG N N 19 121.722 121.722 121.948 -0.226 18808 2190 1 6 . 1 1 19 19 ARG CA C 19 55.272 55.272 55.460 -0.188 18808 2191 1 6 . 1 1 19 19 ARG CB C 19 30.231 30.231 31.699 -1.468 18808 2192 1 6 . 1 1 19 19 ARG H H 19 8.327 8.327 8.118 0.209 18808 2193 1 6 . 1 1 20 20 SER N N 20 116.915 116.915 120.277 -3.362 18808 2194 1 6 . 1 1 20 20 SER CA C 20 56.632 56.632 58.615 -1.984 18808 2195 1 6 . 1 1 20 20 SER CB C 20 63.767 63.767 63.771 -0.004 18808 2196 1 6 . 1 1 20 20 SER H H 20 8.455 8.455 8.604 -0.149 18808 2197 1 6 . 1 1 21 21 ARG N N 21 128.321 128.321 123.170 5.151 18808 2198 1 6 . 1 1 21 21 ARG CA C 21 56.363 56.363 56.250 0.113 18808 2199 1 6 . 1 1 21 21 ARG CB C 21 27.800 27.800 30.422 -2.622 18808 2200 1 6 . 1 1 21 21 ARG H H 21 10.106 10.106 8.789 1.317 18808 2201 1 6 . 1 1 22 22 TRP N N 22 122.075 122.075 120.800 1.275 18808 2202 1 6 . 1 1 22 22 TRP CA C 22 57.297 57.297 56.858 0.439 18808 2203 1 6 . 1 1 22 22 TRP CB C 22 28.494 28.494 28.650 -0.156 18808 2204 1 6 . 1 1 22 22 TRP H H 22 8.077 8.077 8.092 -0.015 18808 2205 1 6 . 1 1 23 23 ASN N N 23 122.985 122.985 120.594 2.391 18808 2206 1 6 . 1 1 23 23 ASN CA C 23 53.861 53.861 53.599 0.262 18808 2207 1 6 . 1 1 23 23 ASN CB C 23 38.205 38.205 39.513 -1.308 18808 2208 1 6 . 1 1 23 23 ASN H H 23 8.817 8.817 8.247 0.570 18808 2209 1 6 . 1 1 24 24 GLN N N 24 122.244 122.244 116.268 5.976 18808 2210 1 6 . 1 1 24 24 GLN CA C 24 55.338 55.338 55.954 -0.616 18808 2211 1 6 . 1 1 24 24 GLN CB C 24 28.621 28.621 29.537 -0.916 18808 2212 1 6 . 1 1 24 24 GLN H H 24 8.795 8.795 8.473 0.322 18808 2213 1 6 . 1 1 25 25 ASP N N 25 122.220 122.220 122.818 -0.598 18808 2214 1 6 . 1 1 25 25 ASP CA C 25 53.994 53.994 54.087 -0.093 18808 2215 1 6 . 1 1 25 25 ASP CB C 25 40.463 40.463 42.291 -1.828 18808 2216 1 6 . 1 1 25 25 ASP H H 25 8.612 8.612 8.025 0.587 18808 2217 1 6 . 1 1 26 26 THR N N 26 114.228 114.228 117.261 -3.033 18808 2218 1 6 . 1 1 26 26 THR CA C 26 61.524 61.524 60.408 1.116 18808 2219 1 6 . 1 1 26 26 THR CB C 26 69.198 69.198 71.114 -1.916 18808 2220 1 6 . 1 1 26 26 THR H H 26 8.158 8.158 8.222 -0.064 18808 2221 1 6 . 1 1 27 27 MET N N 27 121.829 121.829 117.616 4.213 18808 2222 1 6 . 1 1 27 27 MET CA C 27 55.546 55.546 57.920 -2.374 18808 2223 1 6 . 1 1 27 27 MET CB C 27 31.644 31.644 31.999 -0.355 18808 2224 1 6 . 1 1 27 27 MET H H 27 8.438 8.438 8.479 -0.041 18808 2225 1 6 . 1 1 30 30 LYS CA C 30 55.776 55.776 56.301 -0.525 18808 2226 1 6 . 1 1 30 30 LYS CB C 30 32.174 32.174 33.268 -1.094 18808 2227 1 6 . 1 1 31 31 THR N N 31 116.696 116.696 113.885 2.811 18808 2228 1 6 . 1 1 31 31 THR CA C 31 61.760 61.760 61.393 0.367 18808 2229 1 6 . 1 1 31 31 THR CB C 31 69.262 69.262 69.819 -0.557 18808 2230 1 6 . 1 1 31 31 THR H H 31 8.214 8.214 8.071 0.143 18808 2231 1 6 . 1 1 32 32 VAL N N 32 124.581 124.581 127.061 -2.480 18808 2232 1 6 . 1 1 32 32 VAL CA C 32 61.964 61.964 61.683 0.281 18808 2233 1 6 . 1 1 32 32 VAL H H 32 8.262 8.262 8.525 -0.263 18808 2234 1 6 . 1 1 33 33 ILE N N 33 128.095 128.095 129.903 -1.808 18808 2235 1 6 . 1 1 33 33 ILE CA C 33 57.573 57.573 58.002 -0.429 18808 2236 1 6 . 1 1 33 33 ILE H H 33 8.606 8.606 8.295 0.311 18808 2237 1 6 . 1 1 34 34 PRO CA C 34 63.255 63.255 62.777 0.478 18808 2238 1 6 . 1 1 34 34 PRO CB C 34 31.086 31.086 31.877 -0.790 18808 2239 1 6 . 1 1 35 35 GLY N N 35 110.169 110.169 112.091 -1.922 18808 2240 1 6 . 1 1 35 35 GLY CA C 35 44.668 44.668 45.365 -0.697 18808 2241 1 6 . 1 1 35 35 GLY H H 35 8.468 8.468 8.227 0.241 18808 2242 1 6 . 1 1 36 36 MET N N 36 121.185 121.185 118.730 2.455 18808 2243 1 6 . 1 1 36 36 MET HA H 36 4.833 4.833 5.020 -0.187 18808 2244 1 6 . 1 1 36 36 MET CA C 36 52.739 52.739 53.537 -0.798 18808 2245 1 6 . 1 1 36 36 MET CB C 36 32.162 32.162 32.577 -0.415 18808 2246 1 6 . 1 1 36 36 MET H H 36 8.235 8.235 7.954 0.281 18808 2247 1 6 . 1 1 38 38 THR N N 38 113.487 113.487 112.402 1.085 18808 2248 1 6 . 1 1 38 38 THR H H 38 8.286 8.286 8.450 -0.164 18808 2249 1 6 . 1 1 39 39 VAL CA C 39 61.780 61.780 61.977 -0.197 18808 2250 1 6 . 1 1 40 40 ILE N N 40 127.358 127.358 127.211 0.147 18808 2251 1 6 . 1 1 40 40 ILE CB C 40 36.993 36.993 37.914 -0.921 18808 2252 1 6 . 1 1 40 40 ILE H H 40 8.254 8.254 8.025 0.229 18808 2253 1 6 . 1 1 42 42 PRO CA C 42 62.198 62.198 63.256 -1.058 18808 2254 1 6 . 1 1 42 42 PRO CB C 42 31.440 31.440 31.913 -0.473 18808 2255 1 6 . 1 1 43 43 GLY N N 43 107.143 107.143 110.771 -3.628 18808 2256 1 6 . 1 1 43 43 GLY CA C 43 45.443 45.443 44.641 0.802 18808 2257 1 6 . 1 1 43 43 GLY H H 43 8.405 8.405 8.407 -0.002 18808 2258 1 6 . 1 1 44 44 LEU N N 44 120.813 120.813 117.423 3.390 18808 2259 1 6 . 1 1 44 44 LEU CA C 44 54.142 54.142 53.482 0.660 18808 2260 1 6 . 1 1 44 44 LEU H H 44 8.148 8.148 8.193 -0.045 18808 2261 1 6 . 1 1 45 45 THR N N 45 113.080 113.080 110.261 2.819 18808 2262 1 6 . 1 1 45 45 THR CA C 45 60.668 60.668 60.332 0.336 18808 2263 1 6 . 1 1 45 45 THR CB C 45 70.540 70.540 72.055 -1.515 18808 2264 1 6 . 1 1 45 45 THR H H 45 8.571 8.571 8.107 0.464 18808 2265 1 6 . 1 1 46 46 ARG N N 46 120.920 120.920 121.523 -0.603 18808 2266 1 6 . 1 1 46 46 ARG CA C 46 59.422 59.422 59.187 0.235 18808 2267 1 6 . 1 1 46 46 ARG CB C 46 28.617 28.617 29.520 -0.903 18808 2268 1 6 . 1 1 46 46 ARG H H 46 8.814 8.814 8.939 -0.125 18808 2269 1 6 . 1 1 47 47 GLU N N 47 119.131 119.131 119.266 -0.135 18808 2270 1 6 . 1 1 47 47 GLU CA C 47 59.797 59.797 59.648 0.149 18808 2271 1 6 . 1 1 47 47 GLU CB C 47 28.200 28.200 28.690 -0.490 18808 2272 1 6 . 1 1 47 47 GLU H H 47 8.836 8.836 8.609 0.227 18808 2273 1 6 . 1 1 48 48 GLN N N 48 119.702 119.702 119.453 0.249 18808 2274 1 6 . 1 1 48 48 GLN CA C 48 57.803 57.803 58.642 -0.839 18808 2275 1 6 . 1 1 48 48 GLN CB C 48 28.555 28.555 28.442 0.113 18808 2276 1 6 . 1 1 48 48 GLN H H 48 7.758 7.758 7.685 0.073 18808 2277 1 6 . 1 1 49 49 GLU N N 49 122.252 122.252 120.239 2.013 18808 2278 1 6 . 1 1 49 49 GLU CA C 49 59.663 59.663 59.779 -0.116 18808 2279 1 6 . 1 1 49 49 GLU CB C 49 28.792 28.792 29.562 -0.770 18808 2280 1 6 . 1 1 49 49 GLU H H 49 8.885 8.885 8.495 0.390 18808 2281 1 6 . 1 1 50 50 ARG N N 50 118.823 118.823 118.799 0.024 18808 2282 1 6 . 1 1 50 50 ARG CA C 50 57.785 57.785 58.156 -0.371 18808 2283 1 6 . 1 1 50 50 ARG CB C 50 27.889 27.889 29.464 -1.575 18808 2284 1 6 . 1 1 50 50 ARG H H 50 7.925 7.925 7.633 0.292 18808 2285 1 6 . 1 1 51 51 ALA N N 51 119.205 119.205 122.928 -3.723 18808 2286 1 6 . 1 1 51 51 ALA CA C 51 54.557 54.557 55.014 -0.457 18808 2287 1 6 . 1 1 51 51 ALA CB C 51 17.465 17.465 18.241 -0.776 18808 2288 1 6 . 1 1 51 51 ALA H H 51 7.978 7.978 8.032 -0.054 18808 2289 1 6 . 1 1 52 52 TYR N N 52 119.802 119.802 120.285 -0.483 18808 2290 1 6 . 1 1 52 52 TYR CA C 52 61.401 61.401 61.134 0.267 18808 2291 1 6 . 1 1 52 52 TYR H H 52 7.976 7.976 8.053 -0.077 18808 2292 1 6 . 1 1 53 53 ILE N N 53 118.566 118.566 119.060 -0.494 18808 2293 1 6 . 1 1 53 53 ILE CA C 53 63.981 63.981 65.379 -1.398 18808 2294 1 6 . 1 1 53 53 ILE CB C 53 37.334 37.334 38.138 -0.804 18808 2295 1 6 . 1 1 53 53 ILE H H 53 7.934 7.934 8.185 -0.251 18808 2296 1 6 . 1 1 54 54 VAL N N 54 121.327 121.327 117.470 3.857 18808 2297 1 6 . 1 1 54 54 VAL HA H 54 3.531 3.531 3.571 -0.040 18808 2298 1 6 . 1 1 54 54 VAL CA C 54 66.363 66.363 66.123 0.241 18808 2299 1 6 . 1 1 54 54 VAL H H 54 8.563 8.563 8.537 0.026 18808 2300 1 6 . 1 1 55 55 GLN N N 55 119.475 119.475 120.862 -1.387 18808 2301 1 6 . 1 1 55 55 GLN CA C 55 59.584 59.584 59.114 0.470 18808 2302 1 6 . 1 1 55 55 GLN CB C 55 27.312 27.312 28.529 -1.217 18808 2303 1 6 . 1 1 55 55 GLN H H 55 8.207 8.207 8.061 0.146 18808 2304 1 6 . 1 1 56 56 LEU N N 56 120.914 120.914 120.073 0.841 18808 2305 1 6 . 1 1 56 56 LEU H H 56 7.780 7.780 7.388 0.392 18808 2306 1 6 . 1 1 57 57 GLN N N 57 122.652 122.652 118.487 4.165 18808 2307 1 6 . 1 1 57 57 GLN CA C 57 58.722 58.722 58.534 0.188 18808 2308 1 6 . 1 1 57 57 GLN H H 57 8.363 8.363 7.628 0.735 18808 2309 1 6 . 1 1 58 58 ILE N N 58 120.955 120.955 120.844 0.111 18808 2310 1 6 . 1 1 58 58 ILE CA C 58 66.631 66.631 66.111 0.520 18808 2311 1 6 . 1 1 58 58 ILE H H 58 8.876 8.876 8.730 0.146 18808 2312 1 6 . 1 1 59 59 GLU N N 59 122.355 122.355 119.303 3.052 18808 2313 1 6 . 1 1 59 59 GLU CA C 59 59.308 59.308 59.593 -0.284 18808 2314 1 6 . 1 1 59 59 GLU CB C 59 29.193 29.193 29.048 0.145 18808 2315 1 6 . 1 1 59 59 GLU H H 59 8.365 8.365 8.461 -0.096 18808 2316 1 6 . 1 1 61 61 LEU CA C 61 57.885 57.885 58.160 -0.275 18808 2317 1 6 . 1 1 62 62 THR N N 62 115.812 115.812 114.692 1.120 18808 2318 1 6 . 1 1 62 62 THR HA H 62 3.804 3.804 3.973 -0.169 18808 2319 1 6 . 1 1 62 62 THR CA C 62 67.067 67.067 66.584 0.483 18808 2320 1 6 . 1 1 62 62 THR CB C 62 68.378 68.378 68.264 0.114 18808 2321 1 6 . 1 1 62 62 THR H H 62 8.417 8.417 8.309 0.108 18808 2322 1 6 . 1 1 65 65 LEU N N 65 118.411 118.411 115.374 3.037 18808 2323 1 6 . 1 1 65 65 LEU CA C 65 56.765 56.765 57.370 -0.605 18808 2324 1 6 . 1 1 65 65 LEU H H 65 8.196 8.196 7.671 0.525 18808 2325 1 6 . 1 1 66 66 ARG N N 66 119.024 119.024 118.254 0.770 18808 2326 1 6 . 1 1 66 66 ARG CA C 66 57.751 57.751 58.476 -0.725 18808 2327 1 6 . 1 1 66 66 ARG CB C 66 29.682 29.682 30.533 -0.851 18808 2328 1 6 . 1 1 66 66 ARG H H 66 8.199 8.199 8.207 -0.008 18808 2329 1 6 . 1 1 67 67 THR N N 67 109.711 109.711 110.014 -0.303 18808 2330 1 6 . 1 1 67 67 THR HA H 67 4.357 4.357 4.453 -0.096 18808 2331 1 6 . 1 1 67 67 THR CA C 67 62.199 62.199 61.313 0.886 18808 2332 1 6 . 1 1 67 67 THR CB C 67 70.266 70.266 70.045 0.221 18808 2333 1 6 . 1 1 67 67 THR H H 67 7.993 7.993 8.116 -0.123 18808 2334 1 6 . 1 1 68 68 GLY N N 68 110.782 110.782 109.917 0.865 18808 2335 1 6 . 1 1 68 68 GLY CA C 68 45.519 45.519 45.056 0.463 18808 2336 1 6 . 1 1 68 68 GLY H H 68 8.065 8.065 7.841 0.224 18808 2337 1 6 . 1 1 69 69 ASP N N 69 121.620 121.620 120.051 1.569 18808 2338 1 6 . 1 1 69 69 ASP CA C 69 53.196 53.196 53.929 -0.733 18808 2339 1 6 . 1 1 69 69 ASP CB C 69 39.719 39.719 40.895 -1.176 18808 2340 1 6 . 1 1 69 69 ASP H H 69 8.096 8.096 7.832 0.264 18808 2341 1 6 . 1 1 70 70 LEU N N 70 120.862 120.862 126.316 -5.454 18808 2342 1 6 . 1 1 70 70 LEU CA C 70 54.820 54.820 54.950 -0.130 18808 2343 1 6 . 1 1 70 70 LEU H H 70 8.023 8.023 7.755 0.268 18808 2344 1 6 . 1 1 71 71 GLY N N 71 108.143 108.143 108.264 -0.121 18808 2345 1 6 . 1 1 71 71 GLY CA C 71 45.026 45.026 45.848 -0.822 18808 2346 1 6 . 1 1 71 71 GLY H H 71 8.433 8.433 8.443 -0.010 18808 2347 1 6 . 1 1 72 72 ILE N N 72 121.288 121.288 121.794 -0.506 18808 2348 1 6 . 1 1 72 72 ILE CA C 72 58.132 58.132 58.734 -0.602 18808 2349 1 6 . 1 1 72 72 ILE CB C 72 37.749 37.749 37.414 0.334 18808 2350 1 6 . 1 1 72 72 ILE H H 72 7.863 7.863 7.815 0.048 18808 2351 1 6 . 1 1 73 73 PRO HA H 73 4.665 4.665 4.540 0.125 18808 2352 1 6 . 1 1 73 73 PRO CA C 73 61.094 61.094 61.653 -0.559 18808 2353 1 6 . 1 1 74 74 PRO CA C 74 62.599 62.599 63.438 -0.839 18808 2354 1 6 . 1 1 74 74 PRO CB C 74 31.140 31.140 31.974 -0.834 18808 2355 1 6 . 1 1 75 75 ASN N N 75 119.457 119.457 119.204 0.253 18808 2356 1 6 . 1 1 75 75 ASN HA H 75 4.972 4.972 4.802 0.170 18808 2357 1 6 . 1 1 75 75 ASN CA C 75 50.708 50.708 51.468 -0.760 18808 2358 1 6 . 1 1 75 75 ASN CB C 75 38.220 38.220 38.196 0.024 18808 2359 1 6 . 1 1 75 75 ASN H H 75 8.476 8.476 7.883 0.593 18808 2360 1 6 . 1 1 76 76 PRO HA H 76 4.331 4.331 4.252 0.079 18808 2361 1 6 . 1 1 76 76 PRO CA C 76 63.643 63.643 64.546 -0.903 18808 2362 1 6 . 1 1 76 76 PRO CB C 76 31.191 31.191 32.294 -1.103 18808 2363 1 6 . 1 1 77 77 GLU N N 77 118.567 118.567 119.203 -0.636 18808 2364 1 6 . 1 1 77 77 GLU HA H 77 4.223 4.223 4.397 -0.174 18808 2365 1 6 . 1 1 77 77 GLU CA C 77 56.457 56.457 56.512 -0.055 18808 2366 1 6 . 1 1 77 77 GLU CB C 77 28.811 28.811 29.699 -0.888 18808 2367 1 6 . 1 1 77 77 GLU H H 77 8.491 8.491 7.917 0.574 18808 2368 1 6 . 1 1 78 78 ASP N N 78 120.557 120.557 124.544 -3.987 18808 2369 1 6 . 1 1 78 78 ASP CA C 78 54.073 54.073 54.191 -0.118 18808 2370 1 6 . 1 1 78 78 ASP CB C 78 40.455 40.455 41.120 -0.665 18808 2371 1 6 . 1 1 78 78 ASP H H 78 8.015 8.015 8.503 -0.488 18808 2372 1 6 . 1 1 79 79 ARG N N 79 121.090 121.090 124.043 -2.953 18808 2373 1 6 . 1 1 79 79 ARG CA C 79 55.406 55.406 57.281 -1.875 18808 2374 1 6 . 1 1 79 79 ARG CB C 79 29.636 29.636 30.705 -1.069 18808 2375 1 6 . 1 1 79 79 ARG H H 79 8.120 8.120 8.719 -0.599 18808 2376 1 6 . 1 1 80 80 SER N N 80 118.342 118.342 114.449 3.893 18808 2377 1 6 . 1 1 80 80 SER HA H 80 4.704 4.704 4.705 -0.001 18808 2378 1 6 . 1 1 80 80 SER CA C 80 56.232 56.232 56.259 -0.027 18808 2379 1 6 . 1 1 80 80 SER CB C 80 62.761 62.761 64.963 -2.202 18808 2380 1 6 . 1 1 80 80 SER H H 80 8.337 8.337 7.870 0.467 18808 2381 1 6 . 1 1 81 81 PRO CA C 81 62.870 62.870 62.637 0.233 18808 2382 1 6 . 1 1 81 81 PRO CB C 81 31.134 31.134 32.202 -1.068 18808 2383 1 6 . 1 1 82 82 SER N N 82 117.424 117.424 118.093 -0.669 18808 2384 1 6 . 1 1 82 82 SER HA H 82 4.726 4.726 4.742 -0.016 18808 2385 1 6 . 1 1 82 82 SER CA C 82 55.808 55.808 57.651 -1.843 18808 2386 1 6 . 1 1 82 82 SER CB C 82 62.903 62.903 63.220 -0.317 18808 2387 1 6 . 1 1 82 82 SER H H 82 8.358 8.358 8.289 0.069 18808 2388 1 6 . 1 1 83 83 PRO CA C 83 62.778 62.778 62.766 0.012 18808 2389 1 6 . 1 1 84 84 GLU N N 84 122.184 122.184 119.433 2.751 18808 2390 1 6 . 1 1 84 84 GLU HA H 84 4.539 4.539 4.548 -0.009 18808 2391 1 6 . 1 1 84 84 GLU CA C 84 53.934 53.934 55.083 -1.149 18808 2392 1 6 . 1 1 84 84 GLU CB C 84 28.861 28.861 30.581 -1.720 18808 2393 1 6 . 1 1 84 84 GLU H H 84 8.295 8.295 8.551 -0.256 18808 2394 1 6 . 1 1 85 85 PRO CA C 85 62.675 62.675 63.484 -0.809 18808 2395 1 6 . 1 1 85 85 PRO CB C 85 31.123 31.123 32.419 -1.296 18808 2396 1 6 . 1 1 86 86 ILE N N 86 120.522 120.522 119.910 0.612 18808 2397 1 6 . 1 1 86 86 ILE CA C 86 60.553 60.553 60.450 0.103 18808 2398 1 6 . 1 1 86 86 ILE CB C 86 38.305 38.305 39.170 -0.865 18808 2399 1 6 . 1 1 86 86 ILE H H 86 8.052 8.052 7.645 0.407 18808 2400 1 6 . 1 1 87 87 TYR N N 87 123.178 123.178 126.282 -3.104 18808 2401 1 6 . 1 1 87 87 TYR HA H 87 4.905 4.905 4.837 0.068 18808 2402 1 6 . 1 1 87 87 TYR CA C 87 56.744 56.744 56.766 -0.022 18808 2403 1 6 . 1 1 87 87 TYR CB C 87 39.324 39.324 39.761 -0.437 18808 2404 1 6 . 1 1 87 87 TYR H H 87 8.272 8.272 7.978 0.294 18808 2405 1 6 . 1 1 88 88 ASN N N 88 120.123 120.123 121.595 -1.472 18808 2406 1 6 . 1 1 88 88 ASN HA H 88 4.801 4.801 4.842 -0.041 18808 2407 1 6 . 1 1 88 88 ASN CA C 88 51.734 51.734 52.881 -1.147 18808 2408 1 6 . 1 1 88 88 ASN CB C 88 38.209 38.209 39.259 -1.050 18808 2409 1 6 . 1 1 88 88 ASN H H 88 8.466 8.466 8.676 -0.210 18808 2410 1 6 . 1 1 89 89 SER N N 89 115.872 115.872 117.547 -1.675 18808 2411 1 6 . 1 1 89 89 SER HA H 89 4.276 4.276 4.295 -0.019 18808 2412 1 6 . 1 1 89 89 SER CA C 89 59.589 59.589 59.918 -0.329 18808 2413 1 6 . 1 1 89 89 SER CB C 89 62.695 62.695 63.847 -1.152 18808 2414 1 6 . 1 1 89 89 SER H H 89 8.460 8.460 8.702 -0.242 18808 2415 1 6 . 1 1 90 90 GLU CA C 90 56.320 56.320 56.233 0.087 18808 2416 1 6 . 1 1 90 90 GLU CB C 90 29.074 29.074 30.117 -1.043 18808 2417 1 6 . 1 1 91 91 GLY N N 91 108.520 108.520 111.702 -3.182 18808 2418 1 6 . 1 1 91 91 GLY CA C 91 45.175 45.175 45.029 0.146 18808 2419 1 6 . 1 1 91 91 GLY H H 91 8.245 8.245 8.442 -0.197 18808 2420 1 6 . 1 1 92 92 LYS N N 92 120.880 120.880 120.726 0.154 18808 2421 1 6 . 1 1 92 92 LYS CA C 92 55.393 55.393 55.852 -0.459 18808 2422 1 6 . 1 1 92 92 LYS CB C 92 32.047 32.047 33.108 -1.061 18808 2423 1 6 . 1 1 92 92 LYS H H 92 8.022 8.022 8.004 0.018 18808 2424 1 6 . 1 1 93 93 ARG N N 93 123.484 123.484 123.143 0.341 18808 2425 1 6 . 1 1 93 93 ARG HA H 93 4.230 4.230 4.429 -0.199 18808 2426 1 6 . 1 1 93 93 ARG CA C 93 55.894 55.894 56.096 -0.202 18808 2427 1 6 . 1 1 93 93 ARG CB C 93 30.480 30.480 31.445 -0.965 18808 2428 1 6 . 1 1 93 93 ARG H H 93 8.476 8.476 8.558 -0.082 18808 2429 1 6 . 1 1 94 94 LEU N N 94 124.336 124.336 122.911 1.425 18808 2430 1 6 . 1 1 94 94 LEU HA H 94 4.323 4.323 4.429 -0.106 18808 2431 1 6 . 1 1 94 94 LEU CA C 94 54.606 54.606 54.039 0.567 18808 2432 1 6 . 1 1 94 94 LEU H H 94 8.391 8.391 7.969 0.422 18808 2433 1 6 . 1 1 95 95 ASN N N 95 119.662 119.662 119.001 0.661 18808 2434 1 6 . 1 1 95 95 ASN HA H 95 4.793 4.793 4.712 0.081 18808 2435 1 6 . 1 1 95 95 ASN CA C 95 52.490 52.490 52.977 -0.487 18808 2436 1 6 . 1 1 95 95 ASN CB C 95 38.070 38.070 39.485 -1.415 18808 2437 1 6 . 1 1 95 95 ASN H H 95 8.533 8.533 8.304 0.229 18808 2438 1 6 . 1 1 96 96 THR N N 96 114.180 114.180 115.155 -0.975 18808 2439 1 6 . 1 1 96 96 THR CA C 96 62.469 62.469 63.854 -1.385 18808 2440 1 6 . 1 1 96 96 THR H H 96 8.128 8.128 8.570 -0.442 18808 2441 1 6 . 1 1 97 97 ARG N N 97 122.577 122.577 122.803 -0.226 18808 2442 1 6 . 1 1 97 97 ARG CA C 97 58.053 58.053 59.860 -1.807 18808 2443 1 6 . 1 1 97 97 ARG H H 97 8.626 8.626 8.548 0.078 18808 2444 1 6 . 1 1 98 98 GLU N N 98 121.594 121.594 120.652 0.942 18808 2445 1 6 . 1 1 98 98 GLU CA C 98 58.320 58.320 59.640 -1.320 18808 2446 1 6 . 1 1 98 98 GLU H H 98 8.607 8.607 8.803 -0.196 18808 2447 1 6 . 1 1 100 100 ARG CA C 100 58.113 58.113 60.107 -1.994 18808 2448 1 6 . 1 1 101 101 THR N N 101 115.806 115.806 116.558 -0.752 18808 2449 1 6 . 1 1 101 101 THR HA H 101 3.987 3.987 4.018 -0.031 18808 2450 1 6 . 1 1 101 101 THR CA C 101 64.627 64.627 67.008 -2.381 18808 2451 1 6 . 1 1 101 101 THR H H 101 8.091 8.091 7.981 0.110 18808 2452 1 6 . 1 1 102 102 ARG N N 102 122.017 122.017 120.620 1.397 18808 2453 1 6 . 1 1 102 102 ARG CA C 102 60.055 60.055 59.778 0.277 18808 2454 1 6 . 1 1 102 102 ARG H H 102 8.430 8.430 8.445 -0.015 18808 2455 1 6 . 1 1 103 103 LYS N N 103 117.689 117.689 119.775 -2.086 18808 2456 1 6 . 1 1 103 103 LYS CA C 103 58.573 58.573 58.217 0.356 18808 2457 1 6 . 1 1 103 103 LYS H H 103 7.975 7.975 8.266 -0.291 18808 2458 1 6 . 1 1 104 104 LYS N N 104 119.765 119.765 119.835 -0.070 18808 2459 1 6 . 1 1 104 104 LYS CA C 104 58.500 58.500 58.688 -0.188 18808 2460 1 6 . 1 1 104 104 LYS CB C 104 31.083 31.083 31.773 -0.690 18808 2461 1 6 . 1 1 104 104 LYS H H 104 7.674 7.674 7.563 0.111 18808 2462 1 6 . 1 1 105 105 LEU N N 105 120.812 120.812 118.953 1.859 18808 2463 1 6 . 1 1 105 105 LEU CA C 105 57.813 57.813 58.117 -0.305 18808 2464 1 6 . 1 1 105 105 LEU H H 105 8.120 8.120 7.907 0.213 18808 2465 1 6 . 1 1 106 106 GLU N N 106 118.877 118.877 118.888 -0.011 18808 2466 1 6 . 1 1 106 106 GLU CA C 106 59.150 59.150 59.742 -0.592 18808 2467 1 6 . 1 1 106 106 GLU CB C 106 29.012 29.012 29.203 -0.191 18808 2468 1 6 . 1 1 106 106 GLU H H 106 8.707 8.707 8.012 0.695 18808 2469 1 6 . 1 1 107 107 GLU N N 107 122.176 122.176 118.952 3.224 18808 2470 1 6 . 1 1 107 107 GLU H H 107 8.357 8.357 8.223 0.134 18808 2471 1 6 . 1 1 108 108 GLU N N 108 121.565 121.565 119.703 1.862 18808 2472 1 6 . 1 1 108 108 GLU H H 108 8.322 8.322 8.030 0.292 18808 2473 1 6 . 1 1 109 109 ARG N N 109 118.431 118.431 119.910 -1.479 18808 2474 1 6 . 1 1 109 109 ARG H H 109 8.613 8.613 8.236 0.377 18808 2475 1 6 . 1 1 110 110 HIS N N 110 119.577 119.577 118.434 1.143 18808 2476 1 6 . 1 1 110 110 HIS CA C 110 60.031 60.031 59.211 0.820 18808 2477 1 6 . 1 1 110 110 HIS H H 110 8.541 8.541 8.620 -0.079 18808 2478 1 6 . 1 1 111 111 ASN N N 111 119.551 119.551 118.466 1.085 18808 2479 1 6 . 1 1 111 111 ASN CB C 111 36.981 36.981 38.327 -1.346 18808 2480 1 6 . 1 1 111 111 ASN H H 111 8.401 8.401 8.190 0.211 18808 2481 1 6 . 1 1 112 112 LEU N N 112 121.995 121.995 119.974 2.021 18808 2482 1 6 . 1 1 112 112 LEU CA C 112 57.434 57.434 57.722 -0.289 18808 2483 1 6 . 1 1 112 112 LEU H H 112 8.088 8.088 7.615 0.473 18808 2484 1 6 . 1 1 113 113 ILE N N 113 121.510 121.510 120.897 0.613 18808 2485 1 6 . 1 1 113 113 ILE CA C 113 65.489 65.489 64.828 0.661 18808 2486 1 6 . 1 1 113 113 ILE H H 113 8.527 8.527 8.648 -0.121 18808 2487 1 6 . 1 1 114 114 THR N N 114 115.127 115.127 115.881 -0.754 18808 2488 1 6 . 1 1 114 114 THR HA H 114 3.748 3.748 4.004 -0.256 18808 2489 1 6 . 1 1 114 114 THR CA C 114 66.173 66.173 67.826 -1.653 18808 2490 1 6 . 1 1 114 114 THR CB C 114 68.210 68.210 68.313 -0.103 18808 2491 1 6 . 1 1 114 114 THR H H 114 8.102 8.102 8.495 -0.393 18808 2492 1 6 . 1 1 115 115 GLU N N 115 123.316 123.316 122.108 1.208 18808 2493 1 6 . 1 1 115 115 GLU CA C 115 58.663 58.663 59.231 -0.568 18808 2494 1 6 . 1 1 115 115 GLU CB C 115 28.390 28.390 29.571 -1.181 18808 2495 1 6 . 1 1 115 115 GLU H H 115 7.473 7.473 7.547 -0.074 18808 2496 1 6 . 1 1 116 116 MET N N 116 119.934 119.934 119.920 0.014 18808 2497 1 6 . 1 1 116 116 MET CA C 116 56.561 56.561 59.246 -2.685 18808 2498 1 6 . 1 1 116 116 MET H H 116 8.442 8.442 8.549 -0.107 18808 2499 1 6 . 1 1 117 117 VAL N N 117 117.688 117.688 119.893 -2.205 18808 2500 1 6 . 1 1 117 117 VAL HA H 117 3.946 3.946 4.207 -0.261 18808 2501 1 6 . 1 1 117 117 VAL CA C 117 61.989 61.989 66.195 -4.206 18808 2502 1 6 . 1 1 117 117 VAL H H 117 8.332 8.332 8.666 -0.334 18808 2503 1 6 . 1 1 118 118 ALA N N 118 120.568 120.568 121.937 -1.369 18808 2504 1 6 . 1 1 118 118 ALA HA H 118 4.173 4.173 4.148 0.025 18808 2505 1 6 . 1 1 118 118 ALA CA C 118 53.531 53.531 54.877 -1.346 18808 2506 1 6 . 1 1 118 118 ALA CB C 118 17.606 17.606 18.664 -1.058 18808 2507 1 6 . 1 1 118 118 ALA H H 118 7.143 7.143 7.514 -0.371 18808 2508 1 6 . 1 1 119 119 LEU N N 119 118.032 118.032 118.193 -0.161 18808 2509 1 6 . 1 1 119 119 LEU CA C 119 56.245 56.245 56.524 -0.279 18808 2510 1 6 . 1 1 119 119 LEU H H 119 7.585 7.585 8.092 -0.507 18808 2511 1 6 . 1 1 120 120 ASN N N 120 115.407 115.407 115.603 -0.196 18808 2512 1 6 . 1 1 120 120 ASN HA H 120 5.065 5.065 5.140 -0.075 18808 2513 1 6 . 1 1 120 120 ASN CA C 120 49.613 49.613 50.066 -0.453 18808 2514 1 6 . 1 1 120 120 ASN CB C 120 38.651 38.651 39.911 -1.260 18808 2515 1 6 . 1 1 120 120 ASN H H 120 8.512 8.512 8.146 0.366 18808 2516 1 6 . 1 1 121 121 PRO HA H 121 4.711 4.711 4.562 0.149 18808 2517 1 6 . 1 1 121 121 PRO CA C 121 63.796 63.796 64.638 -0.842 18808 2518 1 6 . 1 1 121 121 PRO CB C 121 31.383 31.383 32.371 -0.988 18808 2519 1 6 . 1 1 122 122 ASP N N 122 115.768 115.768 116.783 -1.015 18808 2520 1 6 . 1 1 122 122 ASP CA C 122 53.863 53.863 53.657 0.205 18808 2521 1 6 . 1 1 122 122 ASP CB C 122 40.647 40.647 41.607 -0.960 18808 2522 1 6 . 1 1 122 122 ASP H H 122 7.676 7.676 7.964 -0.288 18808 2523 1 6 . 1 1 123 123 PHE N N 123 122.733 122.733 122.462 0.271 18808 2524 1 6 . 1 1 123 123 PHE HA H 123 4.181 4.181 4.378 -0.197 18808 2525 1 6 . 1 1 123 123 PHE CA C 123 58.501 58.501 58.563 -0.062 18808 2526 1 6 . 1 1 123 123 PHE CB C 123 38.660 38.660 39.777 -1.117 18808 2527 1 6 . 1 1 123 123 PHE H H 123 7.989 7.989 7.452 0.537 18808 2528 1 6 . 1 1 124 124 LYS N N 124 129.392 129.392 128.340 1.052 18808 2529 1 6 . 1 1 124 124 LYS HA H 124 4.592 4.592 4.335 0.257 18808 2530 1 6 . 1 1 124 124 LYS CA C 124 51.210 51.210 51.919 -0.709 18808 2531 1 6 . 1 1 124 124 LYS CB C 124 31.495 31.495 31.885 -0.390 18808 2532 1 6 . 1 1 124 124 LYS H H 124 7.686 7.686 8.369 -0.683 18808 2533 1 6 . 1 1 125 125 PRO HA H 125 4.139 4.139 4.149 -0.010 18808 2534 1 6 . 1 1 125 125 PRO CA C 125 60.556 60.556 61.166 -0.610 18808 2535 1 6 . 1 1 126 126 PRO HA H 126 4.771 4.771 4.326 0.445 18808 2536 1 6 . 1 1 126 126 PRO CA C 126 62.246 62.246 62.902 -0.656 18808 2537 1 6 . 1 1 126 126 PRO CB C 126 31.352 31.352 32.299 -0.947 18808 2538 1 6 . 1 1 127 127 ALA N N 127 123.830 123.830 122.830 1.000 18808 2539 1 6 . 1 1 127 127 ALA HA H 127 4.105 4.105 4.266 -0.161 18808 2540 1 6 . 1 1 127 127 ALA CA C 127 54.149 54.149 54.219 -0.070 18808 2541 1 6 . 1 1 127 127 ALA CB C 127 18.076 18.076 19.034 -0.958 18808 2542 1 6 . 1 1 127 127 ALA H H 127 8.691 8.691 8.473 0.218 18808 2543 1 6 . 1 1 128 128 ASP N N 128 112.954 112.954 117.935 -4.981 18808 2544 1 6 . 1 1 128 128 ASP CA C 128 53.203 53.203 54.206 -1.003 18808 2545 1 6 . 1 1 128 128 ASP CB C 128 39.728 39.728 39.649 0.079 18808 2546 1 6 . 1 1 128 128 ASP H H 128 8.403 8.403 8.415 -0.012 18808 2547 1 6 . 1 1 129 129 TYR N N 129 121.200 121.200 118.135 3.065 18808 2548 1 6 . 1 1 129 129 TYR CA C 129 57.918 57.918 56.453 1.464 18808 2549 1 6 . 1 1 129 129 TYR CB C 129 38.075 38.075 39.279 -1.204 18808 2550 1 6 . 1 1 129 129 TYR H H 129 7.650 7.650 7.574 0.076 18808 2551 1 6 . 1 1 130 130 LYS N N 130 129.878 129.878 125.581 4.297 18808 2552 1 6 . 1 1 130 130 LYS HA H 130 4.361 4.361 4.439 -0.078 18808 2553 1 6 . 1 1 130 130 LYS CA C 130 52.063 52.063 52.242 -0.179 18808 2554 1 6 . 1 1 130 130 LYS CB C 130 32.565 32.565 33.343 -0.778 18808 2555 1 6 . 1 1 130 130 LYS H H 130 7.784 7.784 8.138 -0.354 18808 2556 1 6 . 1 1 132 132 PRO CA C 132 62.394 62.394 64.591 -2.197 18808 2557 1 6 . 1 1 132 132 PRO CB C 132 29.945 29.945 31.859 -1.914 18808 2558 1 6 . 1 1 133 133 ALA N N 133 124.238 124.238 116.382 7.856 18808 2559 1 6 . 1 1 133 133 ALA HA H 133 4.293 4.293 4.394 -0.101 18808 2560 1 6 . 1 1 133 133 ALA CA C 133 52.004 52.004 52.580 -0.576 18808 2561 1 6 . 1 1 133 133 ALA CB C 133 18.521 18.521 20.401 -1.880 18808 2562 1 6 . 1 1 133 133 ALA H H 133 8.375 8.375 7.918 0.457 18808 2563 1 7 . 1 1 3 3 THR N N 3 118.281 118.281 109.790 8.491 18808 2564 1 7 . 1 1 3 3 THR HA H 3 4.220 4.220 4.053 0.167 18808 2565 1 7 . 1 1 3 3 THR CA C 3 61.481 61.481 62.352 -0.871 18808 2566 1 7 . 1 1 3 3 THR CB C 3 69.427 69.427 68.940 0.487 18808 2567 1 7 . 1 1 3 3 THR H H 3 8.283 8.283 7.856 0.427 18808 2568 1 7 . 1 1 4 4 GLY N N 4 111.418 111.418 108.535 2.883 18808 2569 1 7 . 1 1 4 4 GLY CA C 4 44.811 44.811 44.328 0.483 18808 2570 1 7 . 1 1 4 4 GLY H H 4 8.445 8.445 8.311 0.134 18808 2571 1 7 . 1 1 5 5 ALA N N 5 123.764 123.764 125.809 -2.045 18808 2572 1 7 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.539 -0.215 18808 2573 1 7 . 1 1 5 5 ALA CA C 5 52.237 52.237 51.385 0.852 18808 2574 1 7 . 1 1 5 5 ALA CB C 5 18.688 18.688 18.040 0.648 18808 2575 1 7 . 1 1 5 5 ALA H H 5 8.229 8.229 8.464 -0.235 18808 2576 1 7 . 1 1 6 6 ASN N N 6 117.534 117.534 118.913 -1.379 18808 2577 1 7 . 1 1 6 6 ASN HA H 6 4.672 4.672 4.649 0.023 18808 2578 1 7 . 1 1 6 6 ASN CA C 6 52.760 52.760 53.290 -0.530 18808 2579 1 7 . 1 1 6 6 ASN CB C 6 38.294 38.294 39.197 -0.903 18808 2580 1 7 . 1 1 6 6 ASN H H 6 8.426 8.426 8.775 -0.349 18808 2581 1 7 . 1 1 7 7 ALA N N 7 124.230 124.230 122.135 2.095 18808 2582 1 7 . 1 1 7 7 ALA HA H 7 4.375 4.375 4.684 -0.309 18808 2583 1 7 . 1 1 7 7 ALA CA C 7 52.033 52.033 51.727 0.306 18808 2584 1 7 . 1 1 7 7 ALA CB C 7 18.611 18.611 20.430 -1.819 18808 2585 1 7 . 1 1 7 7 ALA H H 7 8.171 8.171 7.890 0.281 18808 2586 1 7 . 1 1 8 8 THR N N 8 116.291 116.291 116.667 -0.376 18808 2587 1 7 . 1 1 8 8 THR HA H 8 4.613 4.613 4.753 -0.140 18808 2588 1 7 . 1 1 8 8 THR CA C 8 59.445 59.445 60.510 -1.065 18808 2589 1 7 . 1 1 8 8 THR CB C 8 69.200 69.200 68.957 0.243 18808 2590 1 7 . 1 1 8 8 THR H H 8 8.211 8.211 8.173 0.038 18808 2591 1 7 . 1 1 9 9 PRO CA C 9 62.885 62.885 62.736 0.149 18808 2592 1 7 . 1 1 9 9 PRO CB C 9 31.241 31.241 32.515 -1.274 18808 2593 1 7 . 1 1 10 10 LEU N N 10 121.874 121.874 121.682 0.192 18808 2594 1 7 . 1 1 10 10 LEU HA H 10 4.257 4.257 4.707 -0.450 18808 2595 1 7 . 1 1 10 10 LEU CA C 10 54.751 54.751 54.049 0.702 18808 2596 1 7 . 1 1 10 10 LEU H H 10 8.245 8.245 8.385 -0.140 18808 2597 1 7 . 1 1 11 11 ASP N N 11 120.266 120.266 119.206 1.060 18808 2598 1 7 . 1 1 11 11 ASP CA C 11 53.652 53.652 54.076 -0.424 18808 2599 1 7 . 1 1 11 11 ASP CB C 11 40.760 40.760 41.965 -1.205 18808 2600 1 7 . 1 1 11 11 ASP H H 11 8.091 8.091 8.330 -0.239 18808 2601 1 7 . 1 1 12 12 PHE N N 12 121.243 121.243 117.457 3.786 18808 2602 1 7 . 1 1 12 12 PHE CA C 12 55.502 55.502 54.894 0.608 18808 2603 1 7 . 1 1 12 12 PHE CB C 12 38.370 38.370 38.369 0.001 18808 2604 1 7 . 1 1 12 12 PHE H H 12 8.058 8.058 7.282 0.776 18808 2605 1 7 . 1 1 13 13 PRO CA C 13 63.035 63.035 63.515 -0.480 18808 2606 1 7 . 1 1 13 13 PRO CB C 13 31.024 31.024 32.042 -1.018 18808 2607 1 7 . 1 1 14 14 SER N N 14 115.993 115.993 118.699 -2.706 18808 2608 1 7 . 1 1 14 14 SER CA C 14 58.010 58.010 56.972 1.038 18808 2609 1 7 . 1 1 14 14 SER CB C 14 63.227 63.227 64.547 -1.320 18808 2610 1 7 . 1 1 14 14 SER H H 14 8.301 8.301 8.294 0.007 18808 2611 1 7 . 1 1 15 15 LYS N N 15 123.610 123.610 120.546 3.064 18808 2612 1 7 . 1 1 15 15 LYS CA C 15 55.871 55.871 57.499 -1.628 18808 2613 1 7 . 1 1 15 15 LYS CB C 15 32.035 32.035 30.889 1.147 18808 2614 1 7 . 1 1 15 15 LYS H H 15 8.319 8.319 8.594 -0.275 18808 2615 1 7 . 1 1 18 18 LYS CB C 18 32.178 32.178 33.843 -1.665 18808 2616 1 7 . 1 1 19 19 ARG N N 19 121.722 121.722 121.737 -0.015 18808 2617 1 7 . 1 1 19 19 ARG CA C 19 55.272 55.272 55.605 -0.333 18808 2618 1 7 . 1 1 19 19 ARG CB C 19 30.231 30.231 31.681 -1.450 18808 2619 1 7 . 1 1 19 19 ARG H H 19 8.327 8.327 8.156 0.171 18808 2620 1 7 . 1 1 20 20 SER N N 20 116.915 116.915 120.367 -3.452 18808 2621 1 7 . 1 1 20 20 SER CA C 20 56.632 56.632 58.712 -2.080 18808 2622 1 7 . 1 1 20 20 SER CB C 20 63.767 63.767 63.790 -0.023 18808 2623 1 7 . 1 1 20 20 SER H H 20 8.455 8.455 8.636 -0.181 18808 2624 1 7 . 1 1 21 21 ARG N N 21 128.321 128.321 122.252 6.069 18808 2625 1 7 . 1 1 21 21 ARG CA C 21 56.363 56.363 55.896 0.467 18808 2626 1 7 . 1 1 21 21 ARG CB C 21 27.800 27.800 30.255 -2.455 18808 2627 1 7 . 1 1 21 21 ARG H H 21 10.106 10.106 8.675 1.431 18808 2628 1 7 . 1 1 22 22 TRP N N 22 122.075 122.075 120.797 1.278 18808 2629 1 7 . 1 1 22 22 TRP CA C 22 57.297 57.297 56.858 0.440 18808 2630 1 7 . 1 1 22 22 TRP CB C 22 28.494 28.494 28.650 -0.156 18808 2631 1 7 . 1 1 22 22 TRP H H 22 8.077 8.077 8.091 -0.014 18808 2632 1 7 . 1 1 23 23 ASN N N 23 122.985 122.985 120.103 2.882 18808 2633 1 7 . 1 1 23 23 ASN CA C 23 53.861 53.861 53.208 0.653 18808 2634 1 7 . 1 1 23 23 ASN CB C 23 38.205 38.205 39.360 -1.155 18808 2635 1 7 . 1 1 23 23 ASN H H 23 8.817 8.817 8.288 0.529 18808 2636 1 7 . 1 1 24 24 GLN N N 24 122.244 122.244 115.826 6.418 18808 2637 1 7 . 1 1 24 24 GLN CA C 24 55.338 55.338 56.141 -0.803 18808 2638 1 7 . 1 1 24 24 GLN CB C 24 28.621 28.621 29.887 -1.266 18808 2639 1 7 . 1 1 24 24 GLN H H 24 8.795 8.795 8.516 0.279 18808 2640 1 7 . 1 1 25 25 ASP N N 25 122.220 122.220 122.171 0.049 18808 2641 1 7 . 1 1 25 25 ASP CA C 25 53.994 53.994 54.275 -0.281 18808 2642 1 7 . 1 1 25 25 ASP CB C 25 40.463 40.463 42.195 -1.732 18808 2643 1 7 . 1 1 25 25 ASP H H 25 8.612 8.612 8.107 0.505 18808 2644 1 7 . 1 1 26 26 THR N N 26 114.228 114.228 117.581 -3.353 18808 2645 1 7 . 1 1 26 26 THR CA C 26 61.524 61.524 62.639 -1.115 18808 2646 1 7 . 1 1 26 26 THR CB C 26 69.198 69.198 68.696 0.502 18808 2647 1 7 . 1 1 26 26 THR H H 26 8.158 8.158 8.948 -0.790 18808 2648 1 7 . 1 1 27 27 MET N N 27 121.829 121.829 119.528 2.301 18808 2649 1 7 . 1 1 27 27 MET CA C 27 55.546 55.546 57.797 -2.252 18808 2650 1 7 . 1 1 27 27 MET CB C 27 31.644 31.644 32.257 -0.613 18808 2651 1 7 . 1 1 27 27 MET H H 27 8.438 8.438 8.899 -0.461 18808 2652 1 7 . 1 1 30 30 LYS CA C 30 55.776 55.776 54.718 1.058 18808 2653 1 7 . 1 1 30 30 LYS CB C 30 32.174 32.174 33.312 -1.138 18808 2654 1 7 . 1 1 31 31 THR N N 31 116.696 116.696 118.046 -1.350 18808 2655 1 7 . 1 1 31 31 THR CA C 31 61.760 61.760 64.301 -2.541 18808 2656 1 7 . 1 1 31 31 THR CB C 31 69.262 69.262 69.177 0.086 18808 2657 1 7 . 1 1 31 31 THR H H 31 8.214 8.214 8.106 0.108 18808 2658 1 7 . 1 1 32 32 VAL N N 32 124.581 124.581 121.496 3.085 18808 2659 1 7 . 1 1 32 32 VAL CA C 32 61.964 61.964 61.359 0.605 18808 2660 1 7 . 1 1 32 32 VAL H H 32 8.262 8.262 7.662 0.600 18808 2661 1 7 . 1 1 33 33 ILE N N 33 128.095 128.095 124.383 3.712 18808 2662 1 7 . 1 1 33 33 ILE CA C 33 57.573 57.573 59.011 -1.438 18808 2663 1 7 . 1 1 33 33 ILE H H 33 8.606 8.606 8.049 0.557 18808 2664 1 7 . 1 1 34 34 PRO CA C 34 63.255 63.255 63.147 0.108 18808 2665 1 7 . 1 1 34 34 PRO CB C 34 31.086 31.086 32.076 -0.990 18808 2666 1 7 . 1 1 35 35 GLY N N 35 110.169 110.169 112.279 -2.110 18808 2667 1 7 . 1 1 35 35 GLY CA C 35 44.668 44.668 45.978 -1.310 18808 2668 1 7 . 1 1 35 35 GLY H H 35 8.468 8.468 8.632 -0.164 18808 2669 1 7 . 1 1 36 36 MET N N 36 121.185 121.185 119.515 1.670 18808 2670 1 7 . 1 1 36 36 MET HA H 36 4.833 4.833 4.825 0.008 18808 2671 1 7 . 1 1 36 36 MET CA C 36 52.739 52.739 52.826 -0.087 18808 2672 1 7 . 1 1 36 36 MET CB C 36 32.162 32.162 34.051 -1.889 18808 2673 1 7 . 1 1 36 36 MET H H 36 8.235 8.235 7.841 0.394 18808 2674 1 7 . 1 1 38 38 THR N N 38 113.487 113.487 111.188 2.299 18808 2675 1 7 . 1 1 38 38 THR H H 38 8.286 8.286 7.926 0.360 18808 2676 1 7 . 1 1 39 39 VAL CA C 39 61.780 61.780 63.219 -1.439 18808 2677 1 7 . 1 1 40 40 ILE N N 40 127.358 127.358 127.801 -0.443 18808 2678 1 7 . 1 1 40 40 ILE CB C 40 36.993 36.993 39.398 -2.405 18808 2679 1 7 . 1 1 40 40 ILE H H 40 8.254 8.254 7.890 0.364 18808 2680 1 7 . 1 1 42 42 PRO CA C 42 62.198 62.198 62.972 -0.774 18808 2681 1 7 . 1 1 42 42 PRO CB C 42 31.440 31.440 31.065 0.375 18808 2682 1 7 . 1 1 43 43 GLY N N 43 107.143 107.143 112.392 -5.249 18808 2683 1 7 . 1 1 43 43 GLY CA C 43 45.443 45.443 45.095 0.348 18808 2684 1 7 . 1 1 43 43 GLY H H 43 8.405 8.405 8.553 -0.148 18808 2685 1 7 . 1 1 44 44 LEU N N 44 120.813 120.813 120.971 -0.158 18808 2686 1 7 . 1 1 44 44 LEU CA C 44 54.142 54.142 53.635 0.507 18808 2687 1 7 . 1 1 44 44 LEU H H 44 8.148 8.148 7.933 0.215 18808 2688 1 7 . 1 1 45 45 THR N N 45 113.080 113.080 112.951 0.129 18808 2689 1 7 . 1 1 45 45 THR CA C 45 60.668 60.668 60.537 0.131 18808 2690 1 7 . 1 1 45 45 THR CB C 45 70.540 70.540 70.600 -0.060 18808 2691 1 7 . 1 1 45 45 THR H H 45 8.571 8.571 8.148 0.423 18808 2692 1 7 . 1 1 46 46 ARG N N 46 120.920 120.920 124.646 -3.726 18808 2693 1 7 . 1 1 46 46 ARG CA C 46 59.422 59.422 58.733 0.689 18808 2694 1 7 . 1 1 46 46 ARG CB C 46 28.617 28.617 29.232 -0.615 18808 2695 1 7 . 1 1 46 46 ARG H H 46 8.814 8.814 8.990 -0.176 18808 2696 1 7 . 1 1 47 47 GLU N N 47 119.131 119.131 118.929 0.202 18808 2697 1 7 . 1 1 47 47 GLU CA C 47 59.797 59.797 59.695 0.102 18808 2698 1 7 . 1 1 47 47 GLU CB C 47 28.200 28.200 28.562 -0.362 18808 2699 1 7 . 1 1 47 47 GLU H H 47 8.836 8.836 8.674 0.162 18808 2700 1 7 . 1 1 48 48 GLN N N 48 119.702 119.702 119.387 0.315 18808 2701 1 7 . 1 1 48 48 GLN CA C 48 57.803 57.803 58.827 -1.024 18808 2702 1 7 . 1 1 48 48 GLN CB C 48 28.555 28.555 28.167 0.388 18808 2703 1 7 . 1 1 48 48 GLN H H 48 7.758 7.758 8.074 -0.316 18808 2704 1 7 . 1 1 49 49 GLU N N 49 122.252 122.252 120.349 1.903 18808 2705 1 7 . 1 1 49 49 GLU CA C 49 59.663 59.663 59.666 -0.003 18808 2706 1 7 . 1 1 49 49 GLU CB C 49 28.792 28.792 29.393 -0.601 18808 2707 1 7 . 1 1 49 49 GLU H H 49 8.885 8.885 8.600 0.285 18808 2708 1 7 . 1 1 50 50 ARG N N 50 118.823 118.823 118.871 -0.048 18808 2709 1 7 . 1 1 50 50 ARG CA C 50 57.785 57.785 58.223 -0.438 18808 2710 1 7 . 1 1 50 50 ARG CB C 50 27.889 27.889 29.420 -1.531 18808 2711 1 7 . 1 1 50 50 ARG H H 50 7.925 7.925 7.641 0.284 18808 2712 1 7 . 1 1 51 51 ALA N N 51 119.205 119.205 123.173 -3.968 18808 2713 1 7 . 1 1 51 51 ALA CA C 51 54.557 54.557 55.005 -0.448 18808 2714 1 7 . 1 1 51 51 ALA CB C 51 17.465 17.465 18.176 -0.711 18808 2715 1 7 . 1 1 51 51 ALA H H 51 7.978 7.978 8.023 -0.045 18808 2716 1 7 . 1 1 52 52 TYR N N 52 119.802 119.802 119.841 -0.039 18808 2717 1 7 . 1 1 52 52 TYR CA C 52 61.401 61.401 60.418 0.983 18808 2718 1 7 . 1 1 52 52 TYR H H 52 7.976 7.976 8.102 -0.126 18808 2719 1 7 . 1 1 53 53 ILE N N 53 118.566 118.566 118.726 -0.160 18808 2720 1 7 . 1 1 53 53 ILE CA C 53 63.981 63.981 65.538 -1.557 18808 2721 1 7 . 1 1 53 53 ILE CB C 53 37.334 37.334 38.151 -0.817 18808 2722 1 7 . 1 1 53 53 ILE H H 53 7.934 7.934 8.220 -0.286 18808 2723 1 7 . 1 1 54 54 VAL N N 54 121.327 121.327 118.002 3.325 18808 2724 1 7 . 1 1 54 54 VAL HA H 54 3.531 3.531 4.001 -0.470 18808 2725 1 7 . 1 1 54 54 VAL CA C 54 66.363 66.363 64.997 1.366 18808 2726 1 7 . 1 1 54 54 VAL H H 54 8.563 8.563 8.620 -0.057 18808 2727 1 7 . 1 1 55 55 GLN N N 55 119.475 119.475 120.787 -1.312 18808 2728 1 7 . 1 1 55 55 GLN CA C 55 59.584 59.584 59.268 0.316 18808 2729 1 7 . 1 1 55 55 GLN CB C 55 27.312 27.312 28.717 -1.405 18808 2730 1 7 . 1 1 55 55 GLN H H 55 8.207 8.207 8.162 0.045 18808 2731 1 7 . 1 1 56 56 LEU N N 56 120.914 120.914 117.127 3.787 18808 2732 1 7 . 1 1 56 56 LEU H H 56 7.780 7.780 7.556 0.224 18808 2733 1 7 . 1 1 57 57 GLN N N 57 122.652 122.652 119.301 3.351 18808 2734 1 7 . 1 1 57 57 GLN CA C 57 58.722 58.722 58.805 -0.083 18808 2735 1 7 . 1 1 57 57 GLN H H 57 8.363 8.363 7.565 0.798 18808 2736 1 7 . 1 1 58 58 ILE N N 58 120.955 120.955 121.245 -0.290 18808 2737 1 7 . 1 1 58 58 ILE CA C 58 66.631 66.631 66.141 0.490 18808 2738 1 7 . 1 1 58 58 ILE H H 58 8.876 8.876 8.694 0.182 18808 2739 1 7 . 1 1 59 59 GLU N N 59 122.355 122.355 119.252 3.103 18808 2740 1 7 . 1 1 59 59 GLU CA C 59 59.308 59.308 59.623 -0.315 18808 2741 1 7 . 1 1 59 59 GLU CB C 59 29.193 29.193 29.077 0.116 18808 2742 1 7 . 1 1 59 59 GLU H H 59 8.365 8.365 8.514 -0.149 18808 2743 1 7 . 1 1 61 61 LEU CA C 61 57.885 57.885 58.174 -0.289 18808 2744 1 7 . 1 1 62 62 THR N N 62 115.812 115.812 114.719 1.093 18808 2745 1 7 . 1 1 62 62 THR HA H 62 3.804 3.804 3.983 -0.179 18808 2746 1 7 . 1 1 62 62 THR CA C 62 67.067 67.067 66.642 0.424 18808 2747 1 7 . 1 1 62 62 THR CB C 62 68.378 68.378 68.300 0.078 18808 2748 1 7 . 1 1 62 62 THR H H 62 8.417 8.417 8.330 0.087 18808 2749 1 7 . 1 1 65 65 LEU N N 65 118.411 118.411 115.368 3.043 18808 2750 1 7 . 1 1 65 65 LEU CA C 65 56.765 56.765 57.374 -0.609 18808 2751 1 7 . 1 1 65 65 LEU H H 65 8.196 8.196 7.682 0.514 18808 2752 1 7 . 1 1 66 66 ARG N N 66 119.024 119.024 118.261 0.763 18808 2753 1 7 . 1 1 66 66 ARG CA C 66 57.751 57.751 58.481 -0.730 18808 2754 1 7 . 1 1 66 66 ARG CB C 66 29.682 29.682 30.541 -0.859 18808 2755 1 7 . 1 1 66 66 ARG H H 66 8.199 8.199 8.215 -0.016 18808 2756 1 7 . 1 1 67 67 THR N N 67 109.711 109.711 109.644 0.067 18808 2757 1 7 . 1 1 67 67 THR HA H 67 4.357 4.357 4.447 -0.090 18808 2758 1 7 . 1 1 67 67 THR CA C 67 62.199 62.199 61.344 0.855 18808 2759 1 7 . 1 1 67 67 THR CB C 67 70.266 70.266 69.963 0.303 18808 2760 1 7 . 1 1 67 67 THR H H 67 7.993 7.993 8.083 -0.090 18808 2761 1 7 . 1 1 68 68 GLY N N 68 110.782 110.782 110.692 0.090 18808 2762 1 7 . 1 1 68 68 GLY CA C 68 45.519 45.519 45.081 0.438 18808 2763 1 7 . 1 1 68 68 GLY H H 68 8.065 8.065 7.908 0.157 18808 2764 1 7 . 1 1 69 69 ASP N N 69 121.620 121.620 120.447 1.173 18808 2765 1 7 . 1 1 69 69 ASP CA C 69 53.196 53.196 54.232 -1.036 18808 2766 1 7 . 1 1 69 69 ASP CB C 69 39.719 39.719 40.744 -1.025 18808 2767 1 7 . 1 1 69 69 ASP H H 69 8.096 8.096 7.896 0.200 18808 2768 1 7 . 1 1 70 70 LEU N N 70 120.862 120.862 125.813 -4.951 18808 2769 1 7 . 1 1 70 70 LEU CA C 70 54.820 54.820 53.947 0.873 18808 2770 1 7 . 1 1 70 70 LEU H H 70 8.023 8.023 7.679 0.344 18808 2771 1 7 . 1 1 71 71 GLY N N 71 108.143 108.143 108.238 -0.095 18808 2772 1 7 . 1 1 71 71 GLY CA C 71 45.026 45.026 44.701 0.325 18808 2773 1 7 . 1 1 71 71 GLY H H 71 8.433 8.433 7.646 0.787 18808 2774 1 7 . 1 1 72 72 ILE N N 72 121.288 121.288 123.358 -2.070 18808 2775 1 7 . 1 1 72 72 ILE CA C 72 58.132 58.132 57.793 0.339 18808 2776 1 7 . 1 1 72 72 ILE CB C 72 37.749 37.749 40.194 -2.445 18808 2777 1 7 . 1 1 72 72 ILE H H 72 7.863 7.863 8.359 -0.496 18808 2778 1 7 . 1 1 73 73 PRO HA H 73 4.665 4.665 4.821 -0.156 18808 2779 1 7 . 1 1 73 73 PRO CA C 73 61.094 61.094 61.386 -0.292 18808 2780 1 7 . 1 1 74 74 PRO CA C 74 62.599 62.599 64.272 -1.673 18808 2781 1 7 . 1 1 74 74 PRO CB C 74 31.140 31.140 32.012 -0.872 18808 2782 1 7 . 1 1 75 75 ASN N N 75 119.457 119.457 117.564 1.893 18808 2783 1 7 . 1 1 75 75 ASN HA H 75 4.972 4.972 4.929 0.043 18808 2784 1 7 . 1 1 75 75 ASN CA C 75 50.708 50.708 49.963 0.745 18808 2785 1 7 . 1 1 75 75 ASN CB C 75 38.220 38.220 38.284 -0.064 18808 2786 1 7 . 1 1 75 75 ASN H H 75 8.476 8.476 7.855 0.621 18808 2787 1 7 . 1 1 76 76 PRO HA H 76 4.331 4.331 4.472 -0.141 18808 2788 1 7 . 1 1 76 76 PRO CA C 76 63.643 63.643 62.931 0.712 18808 2789 1 7 . 1 1 76 76 PRO CB C 76 31.191 31.191 32.262 -1.071 18808 2790 1 7 . 1 1 77 77 GLU N N 77 118.567 118.567 123.087 -4.520 18808 2791 1 7 . 1 1 77 77 GLU HA H 77 4.223 4.223 4.251 -0.028 18808 2792 1 7 . 1 1 77 77 GLU CA C 77 56.457 56.457 56.388 0.069 18808 2793 1 7 . 1 1 77 77 GLU CB C 77 28.811 28.811 30.426 -1.615 18808 2794 1 7 . 1 1 77 77 GLU H H 77 8.491 8.491 8.494 -0.003 18808 2795 1 7 . 1 1 78 78 ASP N N 78 120.557 120.557 121.919 -1.362 18808 2796 1 7 . 1 1 78 78 ASP CA C 78 54.073 54.073 54.171 -0.098 18808 2797 1 7 . 1 1 78 78 ASP CB C 78 40.455 40.455 41.697 -1.242 18808 2798 1 7 . 1 1 78 78 ASP H H 78 8.015 8.015 8.397 -0.382 18808 2799 1 7 . 1 1 79 79 ARG N N 79 121.090 121.090 122.611 -1.521 18808 2800 1 7 . 1 1 79 79 ARG CA C 79 55.406 55.406 56.037 -0.631 18808 2801 1 7 . 1 1 79 79 ARG CB C 79 29.636 29.636 31.292 -1.656 18808 2802 1 7 . 1 1 79 79 ARG H H 79 8.120 8.120 8.575 -0.455 18808 2803 1 7 . 1 1 80 80 SER N N 80 118.342 118.342 116.756 1.586 18808 2804 1 7 . 1 1 80 80 SER HA H 80 4.704 4.704 4.695 0.009 18808 2805 1 7 . 1 1 80 80 SER CA C 80 56.232 56.232 55.577 0.655 18808 2806 1 7 . 1 1 80 80 SER CB C 80 62.761 62.761 64.934 -2.173 18808 2807 1 7 . 1 1 80 80 SER H H 80 8.337 8.337 8.083 0.254 18808 2808 1 7 . 1 1 81 81 PRO CA C 81 62.870 62.870 63.400 -0.530 18808 2809 1 7 . 1 1 81 81 PRO CB C 81 31.134 31.134 32.148 -1.014 18808 2810 1 7 . 1 1 82 82 SER N N 82 117.424 117.424 118.933 -1.509 18808 2811 1 7 . 1 1 82 82 SER HA H 82 4.726 4.726 4.796 -0.070 18808 2812 1 7 . 1 1 82 82 SER CA C 82 55.808 55.808 57.259 -1.451 18808 2813 1 7 . 1 1 82 82 SER CB C 82 62.903 62.903 64.298 -1.395 18808 2814 1 7 . 1 1 82 82 SER H H 82 8.358 8.358 8.424 -0.066 18808 2815 1 7 . 1 1 83 83 PRO CA C 83 62.778 62.778 62.751 0.028 18808 2816 1 7 . 1 1 84 84 GLU N N 84 122.184 122.184 120.033 2.151 18808 2817 1 7 . 1 1 84 84 GLU HA H 84 4.539 4.539 4.512 0.027 18808 2818 1 7 . 1 1 84 84 GLU CA C 84 53.934 53.934 54.236 -0.302 18808 2819 1 7 . 1 1 84 84 GLU CB C 84 28.861 28.861 29.649 -0.788 18808 2820 1 7 . 1 1 84 84 GLU H H 84 8.295 8.295 8.393 -0.098 18808 2821 1 7 . 1 1 85 85 PRO CA C 85 62.675 62.675 64.060 -1.385 18808 2822 1 7 . 1 1 85 85 PRO CB C 85 31.123 31.123 31.942 -0.819 18808 2823 1 7 . 1 1 86 86 ILE N N 86 120.522 120.522 111.739 8.783 18808 2824 1 7 . 1 1 86 86 ILE CA C 86 60.553 60.553 59.417 1.136 18808 2825 1 7 . 1 1 86 86 ILE CB C 86 38.305 38.305 40.040 -1.735 18808 2826 1 7 . 1 1 86 86 ILE H H 86 8.052 8.052 7.398 0.654 18808 2827 1 7 . 1 1 87 87 TYR N N 87 123.178 123.178 122.102 1.076 18808 2828 1 7 . 1 1 87 87 TYR HA H 87 4.905 4.905 4.589 0.316 18808 2829 1 7 . 1 1 87 87 TYR CA C 87 56.744 56.744 57.748 -1.004 18808 2830 1 7 . 1 1 87 87 TYR CB C 87 39.324 39.324 37.732 1.592 18808 2831 1 7 . 1 1 87 87 TYR H H 87 8.272 8.272 8.324 -0.052 18808 2832 1 7 . 1 1 88 88 ASN N N 88 120.123 120.123 121.183 -1.060 18808 2833 1 7 . 1 1 88 88 ASN HA H 88 4.801 4.801 4.943 -0.142 18808 2834 1 7 . 1 1 88 88 ASN CA C 88 51.734 51.734 52.376 -0.642 18808 2835 1 7 . 1 1 88 88 ASN CB C 88 38.209 38.209 39.392 -1.183 18808 2836 1 7 . 1 1 88 88 ASN H H 88 8.466 8.466 8.272 0.194 18808 2837 1 7 . 1 1 89 89 SER N N 89 115.872 115.872 116.099 -0.227 18808 2838 1 7 . 1 1 89 89 SER HA H 89 4.276 4.276 4.382 -0.106 18808 2839 1 7 . 1 1 89 89 SER CA C 89 59.589 59.589 59.552 0.037 18808 2840 1 7 . 1 1 89 89 SER CB C 89 62.695 62.695 63.602 -0.907 18808 2841 1 7 . 1 1 89 89 SER H H 89 8.460 8.460 8.544 -0.084 18808 2842 1 7 . 1 1 90 90 GLU CA C 90 56.320 56.320 55.718 0.602 18808 2843 1 7 . 1 1 90 90 GLU CB C 90 29.074 29.074 30.146 -1.072 18808 2844 1 7 . 1 1 91 91 GLY N N 91 108.520 108.520 109.025 -0.505 18808 2845 1 7 . 1 1 91 91 GLY CA C 91 45.175 45.175 44.520 0.655 18808 2846 1 7 . 1 1 91 91 GLY H H 91 8.245 8.245 8.357 -0.112 18808 2847 1 7 . 1 1 92 92 LYS N N 92 120.880 120.880 119.668 1.212 18808 2848 1 7 . 1 1 92 92 LYS CA C 92 55.393 55.393 56.754 -1.361 18808 2849 1 7 . 1 1 92 92 LYS CB C 92 32.047 32.047 33.257 -1.210 18808 2850 1 7 . 1 1 92 92 LYS H H 92 8.022 8.022 8.055 -0.033 18808 2851 1 7 . 1 1 93 93 ARG N N 93 123.484 123.484 121.935 1.549 18808 2852 1 7 . 1 1 93 93 ARG HA H 93 4.230 4.230 4.435 -0.205 18808 2853 1 7 . 1 1 93 93 ARG CA C 93 55.894 55.894 55.437 0.457 18808 2854 1 7 . 1 1 93 93 ARG CB C 93 30.480 30.480 29.540 0.940 18808 2855 1 7 . 1 1 93 93 ARG H H 93 8.476 8.476 8.243 0.233 18808 2856 1 7 . 1 1 94 94 LEU N N 94 124.336 124.336 125.150 -0.814 18808 2857 1 7 . 1 1 94 94 LEU HA H 94 4.323 4.323 4.370 -0.047 18808 2858 1 7 . 1 1 94 94 LEU CA C 94 54.606 54.606 54.511 0.095 18808 2859 1 7 . 1 1 94 94 LEU H H 94 8.391 8.391 8.193 0.198 18808 2860 1 7 . 1 1 95 95 ASN N N 95 119.662 119.662 121.544 -1.882 18808 2861 1 7 . 1 1 95 95 ASN HA H 95 4.793 4.793 4.944 -0.151 18808 2862 1 7 . 1 1 95 95 ASN CA C 95 52.490 52.490 52.569 -0.079 18808 2863 1 7 . 1 1 95 95 ASN CB C 95 38.070 38.070 39.679 -1.609 18808 2864 1 7 . 1 1 95 95 ASN H H 95 8.533 8.533 8.313 0.220 18808 2865 1 7 . 1 1 96 96 THR N N 96 114.180 114.180 114.194 -0.014 18808 2866 1 7 . 1 1 96 96 THR CA C 96 62.469 62.469 64.067 -1.599 18808 2867 1 7 . 1 1 96 96 THR H H 96 8.128 8.128 8.597 -0.469 18808 2868 1 7 . 1 1 97 97 ARG N N 97 122.577 122.577 122.207 0.370 18808 2869 1 7 . 1 1 97 97 ARG CA C 97 58.053 58.053 59.827 -1.774 18808 2870 1 7 . 1 1 97 97 ARG H H 97 8.626 8.626 8.563 0.063 18808 2871 1 7 . 1 1 98 98 GLU N N 98 121.594 121.594 120.650 0.944 18808 2872 1 7 . 1 1 98 98 GLU CA C 98 58.320 58.320 59.636 -1.316 18808 2873 1 7 . 1 1 98 98 GLU H H 98 8.607 8.607 8.803 -0.196 18808 2874 1 7 . 1 1 100 100 ARG CA C 100 58.113 58.113 59.980 -1.867 18808 2875 1 7 . 1 1 101 101 THR N N 101 115.806 115.806 116.197 -0.391 18808 2876 1 7 . 1 1 101 101 THR HA H 101 3.987 3.987 4.051 -0.064 18808 2877 1 7 . 1 1 101 101 THR CA C 101 64.627 64.627 66.308 -1.681 18808 2878 1 7 . 1 1 101 101 THR H H 101 8.091 8.091 7.944 0.147 18808 2879 1 7 . 1 1 102 102 ARG N N 102 122.017 122.017 120.902 1.115 18808 2880 1 7 . 1 1 102 102 ARG CA C 102 60.055 60.055 59.899 0.156 18808 2881 1 7 . 1 1 102 102 ARG H H 102 8.430 8.430 8.421 0.009 18808 2882 1 7 . 1 1 103 103 LYS N N 103 117.689 117.689 119.770 -2.081 18808 2883 1 7 . 1 1 103 103 LYS CA C 103 58.573 58.573 58.211 0.362 18808 2884 1 7 . 1 1 103 103 LYS H H 103 7.975 7.975 8.265 -0.290 18808 2885 1 7 . 1 1 104 104 LYS N N 104 119.765 119.765 119.845 -0.080 18808 2886 1 7 . 1 1 104 104 LYS CA C 104 58.500 58.500 58.697 -0.197 18808 2887 1 7 . 1 1 104 104 LYS CB C 104 31.083 31.083 31.776 -0.693 18808 2888 1 7 . 1 1 104 104 LYS H H 104 7.674 7.674 7.565 0.109 18808 2889 1 7 . 1 1 105 105 LEU N N 105 120.812 120.812 118.958 1.854 18808 2890 1 7 . 1 1 105 105 LEU CA C 105 57.813 57.813 58.128 -0.315 18808 2891 1 7 . 1 1 105 105 LEU H H 105 8.120 8.120 7.914 0.206 18808 2892 1 7 . 1 1 106 106 GLU N N 106 118.877 118.877 118.894 -0.017 18808 2893 1 7 . 1 1 106 106 GLU CA C 106 59.150 59.150 59.755 -0.605 18808 2894 1 7 . 1 1 106 106 GLU CB C 106 29.012 29.012 29.213 -0.201 18808 2895 1 7 . 1 1 106 106 GLU H H 106 8.707 8.707 8.020 0.687 18808 2896 1 7 . 1 1 107 107 GLU N N 107 122.176 122.176 118.960 3.216 18808 2897 1 7 . 1 1 107 107 GLU H H 107 8.357 8.357 8.234 0.123 18808 2898 1 7 . 1 1 108 108 GLU N N 108 121.565 121.565 119.718 1.847 18808 2899 1 7 . 1 1 108 108 GLU H H 108 8.322 8.322 8.042 0.280 18808 2900 1 7 . 1 1 109 109 ARG N N 109 118.431 118.431 119.925 -1.494 18808 2901 1 7 . 1 1 109 109 ARG H H 109 8.613 8.613 8.252 0.361 18808 2902 1 7 . 1 1 110 110 HIS N N 110 119.577 119.577 118.465 1.112 18808 2903 1 7 . 1 1 110 110 HIS CA C 110 60.031 60.031 59.253 0.778 18808 2904 1 7 . 1 1 110 110 HIS H H 110 8.541 8.541 8.649 -0.108 18808 2905 1 7 . 1 1 111 111 ASN N N 111 119.551 119.551 118.484 1.067 18808 2906 1 7 . 1 1 111 111 ASN CB C 111 36.981 36.981 38.337 -1.356 18808 2907 1 7 . 1 1 111 111 ASN H H 111 8.401 8.401 8.211 0.190 18808 2908 1 7 . 1 1 112 112 LEU N N 112 121.995 121.995 119.979 2.016 18808 2909 1 7 . 1 1 112 112 LEU CA C 112 57.434 57.434 57.728 -0.294 18808 2910 1 7 . 1 1 112 112 LEU H H 112 8.088 8.088 7.626 0.462 18808 2911 1 7 . 1 1 113 113 ILE N N 113 121.510 121.510 120.939 0.571 18808 2912 1 7 . 1 1 113 113 ILE CA C 113 65.489 65.489 64.764 0.725 18808 2913 1 7 . 1 1 113 113 ILE H H 113 8.527 8.527 8.683 -0.156 18808 2914 1 7 . 1 1 114 114 THR N N 114 115.127 115.127 115.440 -0.313 18808 2915 1 7 . 1 1 114 114 THR HA H 114 3.748 3.748 3.988 -0.240 18808 2916 1 7 . 1 1 114 114 THR CA C 114 66.173 66.173 67.331 -1.157 18808 2917 1 7 . 1 1 114 114 THR CB C 114 68.210 68.210 68.162 0.048 18808 2918 1 7 . 1 1 114 114 THR H H 114 8.102 8.102 8.460 -0.358 18808 2919 1 7 . 1 1 115 115 GLU N N 115 123.316 123.316 122.227 1.089 18808 2920 1 7 . 1 1 115 115 GLU CA C 115 58.663 58.663 59.252 -0.589 18808 2921 1 7 . 1 1 115 115 GLU CB C 115 28.390 28.390 29.444 -1.054 18808 2922 1 7 . 1 1 115 115 GLU H H 115 7.473 7.473 7.531 -0.058 18808 2923 1 7 . 1 1 116 116 MET N N 116 119.934 119.934 119.904 0.030 18808 2924 1 7 . 1 1 116 116 MET CA C 116 56.561 56.561 59.228 -2.667 18808 2925 1 7 . 1 1 116 116 MET H H 116 8.442 8.442 8.537 -0.095 18808 2926 1 7 . 1 1 117 117 VAL N N 117 117.688 117.688 119.873 -2.185 18808 2927 1 7 . 1 1 117 117 VAL HA H 117 3.946 3.946 4.183 -0.237 18808 2928 1 7 . 1 1 117 117 VAL CA C 117 61.989 61.989 66.155 -4.166 18808 2929 1 7 . 1 1 117 117 VAL H H 117 8.332 8.332 8.640 -0.308 18808 2930 1 7 . 1 1 118 118 ALA N N 118 120.568 120.568 121.917 -1.349 18808 2931 1 7 . 1 1 118 118 ALA HA H 118 4.173 4.173 4.140 0.033 18808 2932 1 7 . 1 1 118 118 ALA CA C 118 53.531 53.531 54.865 -1.334 18808 2933 1 7 . 1 1 118 118 ALA CB C 118 17.606 17.606 18.657 -1.051 18808 2934 1 7 . 1 1 118 118 ALA H H 118 7.143 7.143 7.499 -0.356 18808 2935 1 7 . 1 1 119 119 LEU N N 119 118.032 118.032 118.193 -0.161 18808 2936 1 7 . 1 1 119 119 LEU CA C 119 56.245 56.245 56.519 -0.274 18808 2937 1 7 . 1 1 119 119 LEU H H 119 7.585 7.585 8.081 -0.496 18808 2938 1 7 . 1 1 120 120 ASN N N 120 115.407 115.407 115.580 -0.173 18808 2939 1 7 . 1 1 120 120 ASN HA H 120 5.065 5.065 5.121 -0.056 18808 2940 1 7 . 1 1 120 120 ASN CA C 120 49.613 49.613 50.041 -0.428 18808 2941 1 7 . 1 1 120 120 ASN CB C 120 38.651 38.651 39.875 -1.224 18808 2942 1 7 . 1 1 120 120 ASN H H 120 8.512 8.512 8.126 0.386 18808 2943 1 7 . 1 1 121 121 PRO HA H 121 4.711 4.711 4.556 0.155 18808 2944 1 7 . 1 1 121 121 PRO CA C 121 63.796 63.796 64.591 -0.795 18808 2945 1 7 . 1 1 121 121 PRO CB C 121 31.383 31.383 32.336 -0.953 18808 2946 1 7 . 1 1 122 122 ASP N N 122 115.768 115.768 117.489 -1.721 18808 2947 1 7 . 1 1 122 122 ASP CA C 122 53.863 53.863 53.715 0.148 18808 2948 1 7 . 1 1 122 122 ASP CB C 122 40.647 40.647 41.544 -0.897 18808 2949 1 7 . 1 1 122 122 ASP H H 122 7.676 7.676 7.982 -0.306 18808 2950 1 7 . 1 1 123 123 PHE N N 123 122.733 122.733 121.638 1.095 18808 2951 1 7 . 1 1 123 123 PHE HA H 123 4.181 4.181 4.354 -0.173 18808 2952 1 7 . 1 1 123 123 PHE CA C 123 58.501 58.501 58.731 -0.230 18808 2953 1 7 . 1 1 123 123 PHE CB C 123 38.660 38.660 39.613 -0.953 18808 2954 1 7 . 1 1 123 123 PHE H H 123 7.989 7.989 7.420 0.569 18808 2955 1 7 . 1 1 124 124 LYS N N 124 129.392 129.392 128.593 0.799 18808 2956 1 7 . 1 1 124 124 LYS HA H 124 4.592 4.592 4.353 0.239 18808 2957 1 7 . 1 1 124 124 LYS CA C 124 51.210 51.210 51.954 -0.744 18808 2958 1 7 . 1 1 124 124 LYS CB C 124 31.495 31.495 31.878 -0.383 18808 2959 1 7 . 1 1 124 124 LYS H H 124 7.686 7.686 8.277 -0.591 18808 2960 1 7 . 1 1 125 125 PRO HA H 125 4.139 4.139 4.147 -0.008 18808 2961 1 7 . 1 1 125 125 PRO CA C 125 60.556 60.556 61.224 -0.667 18808 2962 1 7 . 1 1 126 126 PRO HA H 126 4.771 4.771 4.330 0.441 18808 2963 1 7 . 1 1 126 126 PRO CA C 126 62.246 62.246 62.914 -0.668 18808 2964 1 7 . 1 1 126 126 PRO CB C 126 31.352 31.352 32.284 -0.932 18808 2965 1 7 . 1 1 127 127 ALA N N 127 123.830 123.830 122.585 1.245 18808 2966 1 7 . 1 1 127 127 ALA HA H 127 4.105 4.105 4.132 -0.027 18808 2967 1 7 . 1 1 127 127 ALA CA C 127 54.149 54.149 54.069 0.080 18808 2968 1 7 . 1 1 127 127 ALA CB C 127 18.076 18.076 18.920 -0.844 18808 2969 1 7 . 1 1 127 127 ALA H H 127 8.691 8.691 8.390 0.301 18808 2970 1 7 . 1 1 128 128 ASP N N 128 112.954 112.954 117.876 -4.922 18808 2971 1 7 . 1 1 128 128 ASP CA C 128 53.203 53.203 53.857 -0.654 18808 2972 1 7 . 1 1 128 128 ASP CB C 128 39.728 39.728 40.309 -0.581 18808 2973 1 7 . 1 1 128 128 ASP H H 128 8.403 8.403 8.195 0.208 18808 2974 1 7 . 1 1 129 129 TYR N N 129 121.200 121.200 120.340 0.860 18808 2975 1 7 . 1 1 129 129 TYR CA C 129 57.918 57.918 58.347 -0.429 18808 2976 1 7 . 1 1 129 129 TYR CB C 129 38.075 38.075 39.354 -1.279 18808 2977 1 7 . 1 1 129 129 TYR H H 129 7.650 7.650 7.341 0.309 18808 2978 1 7 . 1 1 130 130 LYS N N 130 129.878 129.878 129.648 0.230 18808 2979 1 7 . 1 1 130 130 LYS HA H 130 4.361 4.361 4.425 -0.064 18808 2980 1 7 . 1 1 130 130 LYS CA C 130 52.063 52.063 52.899 -0.836 18808 2981 1 7 . 1 1 130 130 LYS CB C 130 32.565 32.565 32.775 -0.210 18808 2982 1 7 . 1 1 130 130 LYS H H 130 7.784 7.784 8.035 -0.251 18808 2983 1 7 . 1 1 132 132 PRO CA C 132 62.394 62.394 63.352 -0.958 18808 2984 1 7 . 1 1 132 132 PRO CB C 132 29.945 29.945 31.905 -1.960 18808 2985 1 7 . 1 1 133 133 ALA N N 133 124.238 124.238 122.435 1.803 18808 2986 1 7 . 1 1 133 133 ALA HA H 133 4.293 4.293 4.488 -0.195 18808 2987 1 7 . 1 1 133 133 ALA CA C 133 52.004 52.004 51.659 0.345 18808 2988 1 7 . 1 1 133 133 ALA CB C 133 18.521 18.521 19.669 -1.149 18808 2989 1 7 . 1 1 133 133 ALA H H 133 8.375 8.375 7.431 0.944 18808 2990 1 8 . 1 1 3 3 THR N N 3 118.281 118.281 115.751 2.530 18808 2991 1 8 . 1 1 3 3 THR HA H 3 4.220 4.220 4.562 -0.342 18808 2992 1 8 . 1 1 3 3 THR CA C 3 61.481 61.481 61.630 -0.149 18808 2993 1 8 . 1 1 3 3 THR CB C 3 69.427 69.427 69.535 -0.108 18808 2994 1 8 . 1 1 3 3 THR H H 3 8.283 8.283 8.316 -0.033 18808 2995 1 8 . 1 1 4 4 GLY N N 4 111.418 111.418 115.662 -4.244 18808 2996 1 8 . 1 1 4 4 GLY CA C 4 44.811 44.811 45.122 -0.311 18808 2997 1 8 . 1 1 4 4 GLY H H 4 8.445 8.445 8.660 -0.215 18808 2998 1 8 . 1 1 5 5 ALA N N 5 123.764 123.764 122.441 1.323 18808 2999 1 8 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.635 -0.311 18808 3000 1 8 . 1 1 5 5 ALA CA C 5 52.237 52.237 51.459 0.778 18808 3001 1 8 . 1 1 5 5 ALA CB C 5 18.688 18.688 20.524 -1.836 18808 3002 1 8 . 1 1 5 5 ALA H H 5 8.229 8.229 8.102 0.127 18808 3003 1 8 . 1 1 6 6 ASN N N 6 117.534 117.534 117.771 -0.237 18808 3004 1 8 . 1 1 6 6 ASN HA H 6 4.672 4.672 4.945 -0.273 18808 3005 1 8 . 1 1 6 6 ASN CA C 6 52.760 52.760 54.667 -1.907 18808 3006 1 8 . 1 1 6 6 ASN CB C 6 38.294 38.294 39.542 -1.248 18808 3007 1 8 . 1 1 6 6 ASN H H 6 8.426 8.426 8.773 -0.347 18808 3008 1 8 . 1 1 7 7 ALA N N 7 124.230 124.230 122.004 2.226 18808 3009 1 8 . 1 1 7 7 ALA HA H 7 4.375 4.375 4.569 -0.194 18808 3010 1 8 . 1 1 7 7 ALA CA C 7 52.033 52.033 51.817 0.216 18808 3011 1 8 . 1 1 7 7 ALA CB C 7 18.611 18.611 18.953 -0.342 18808 3012 1 8 . 1 1 7 7 ALA H H 7 8.171 8.171 8.251 -0.080 18808 3013 1 8 . 1 1 8 8 THR N N 8 116.291 116.291 116.301 -0.010 18808 3014 1 8 . 1 1 8 8 THR HA H 8 4.613 4.613 4.567 0.046 18808 3015 1 8 . 1 1 8 8 THR CA C 8 59.445 59.445 60.229 -0.784 18808 3016 1 8 . 1 1 8 8 THR CB C 8 69.200 69.200 69.338 -0.138 18808 3017 1 8 . 1 1 8 8 THR H H 8 8.211 8.211 7.793 0.418 18808 3018 1 8 . 1 1 9 9 PRO CA C 9 62.885 62.885 62.841 0.044 18808 3019 1 8 . 1 1 9 9 PRO CB C 9 31.241 31.241 32.335 -1.094 18808 3020 1 8 . 1 1 10 10 LEU N N 10 121.874 121.874 121.698 0.176 18808 3021 1 8 . 1 1 10 10 LEU HA H 10 4.257 4.257 4.464 -0.207 18808 3022 1 8 . 1 1 10 10 LEU CA C 10 54.751 54.751 54.053 0.698 18808 3023 1 8 . 1 1 10 10 LEU H H 10 8.245 8.245 7.736 0.509 18808 3024 1 8 . 1 1 11 11 ASP N N 11 120.266 120.266 120.345 -0.079 18808 3025 1 8 . 1 1 11 11 ASP CA C 11 53.652 53.652 53.314 0.338 18808 3026 1 8 . 1 1 11 11 ASP CB C 11 40.760 40.760 41.755 -0.995 18808 3027 1 8 . 1 1 11 11 ASP H H 11 8.091 8.091 8.237 -0.146 18808 3028 1 8 . 1 1 12 12 PHE N N 12 121.243 121.243 125.160 -3.917 18808 3029 1 8 . 1 1 12 12 PHE CA C 12 55.502 55.502 55.384 0.118 18808 3030 1 8 . 1 1 12 12 PHE CB C 12 38.370 38.370 39.400 -1.030 18808 3031 1 8 . 1 1 12 12 PHE H H 12 8.058 8.058 8.389 -0.331 18808 3032 1 8 . 1 1 13 13 PRO CA C 13 63.035 63.035 63.483 -0.448 18808 3033 1 8 . 1 1 13 13 PRO CB C 13 31.024 31.024 32.087 -1.063 18808 3034 1 8 . 1 1 14 14 SER N N 14 115.993 115.993 118.796 -2.803 18808 3035 1 8 . 1 1 14 14 SER CA C 14 58.010 58.010 57.116 0.894 18808 3036 1 8 . 1 1 14 14 SER CB C 14 63.227 63.227 64.157 -0.930 18808 3037 1 8 . 1 1 14 14 SER H H 14 8.301 8.301 8.215 0.086 18808 3038 1 8 . 1 1 15 15 LYS N N 15 123.610 123.610 120.766 2.844 18808 3039 1 8 . 1 1 15 15 LYS CA C 15 55.871 55.871 57.451 -1.580 18808 3040 1 8 . 1 1 15 15 LYS CB C 15 32.035 32.035 30.892 1.143 18808 3041 1 8 . 1 1 15 15 LYS H H 15 8.319 8.319 8.586 -0.267 18808 3042 1 8 . 1 1 18 18 LYS CB C 18 32.178 32.178 33.833 -1.655 18808 3043 1 8 . 1 1 19 19 ARG N N 19 121.722 121.722 121.764 -0.042 18808 3044 1 8 . 1 1 19 19 ARG CA C 19 55.272 55.272 55.574 -0.302 18808 3045 1 8 . 1 1 19 19 ARG CB C 19 30.231 30.231 31.663 -1.432 18808 3046 1 8 . 1 1 19 19 ARG H H 19 8.327 8.327 8.150 0.177 18808 3047 1 8 . 1 1 20 20 SER N N 20 116.915 116.915 120.180 -3.265 18808 3048 1 8 . 1 1 20 20 SER CA C 20 56.632 56.632 58.758 -2.126 18808 3049 1 8 . 1 1 20 20 SER CB C 20 63.767 63.767 63.779 -0.012 18808 3050 1 8 . 1 1 20 20 SER H H 20 8.455 8.455 8.617 -0.162 18808 3051 1 8 . 1 1 21 21 ARG N N 21 128.321 128.321 123.479 4.842 18808 3052 1 8 . 1 1 21 21 ARG CA C 21 56.363 56.363 56.214 0.149 18808 3053 1 8 . 1 1 21 21 ARG CB C 21 27.800 27.800 30.524 -2.724 18808 3054 1 8 . 1 1 21 21 ARG H H 21 10.106 10.106 8.829 1.277 18808 3055 1 8 . 1 1 22 22 TRP N N 22 122.075 122.075 120.796 1.279 18808 3056 1 8 . 1 1 22 22 TRP CA C 22 57.297 57.297 56.859 0.438 18808 3057 1 8 . 1 1 22 22 TRP CB C 22 28.494 28.494 28.652 -0.158 18808 3058 1 8 . 1 1 22 22 TRP H H 22 8.077 8.077 8.092 -0.015 18808 3059 1 8 . 1 1 23 23 ASN N N 23 122.985 122.985 120.052 2.933 18808 3060 1 8 . 1 1 23 23 ASN CA C 23 53.861 53.861 53.206 0.655 18808 3061 1 8 . 1 1 23 23 ASN CB C 23 38.205 38.205 39.381 -1.176 18808 3062 1 8 . 1 1 23 23 ASN H H 23 8.817 8.817 8.256 0.561 18808 3063 1 8 . 1 1 24 24 GLN N N 24 122.244 122.244 116.640 5.604 18808 3064 1 8 . 1 1 24 24 GLN CA C 24 55.338 55.338 55.863 -0.525 18808 3065 1 8 . 1 1 24 24 GLN CB C 24 28.621 28.621 29.395 -0.774 18808 3066 1 8 . 1 1 24 24 GLN H H 24 8.795 8.795 8.580 0.215 18808 3067 1 8 . 1 1 25 25 ASP N N 25 122.220 122.220 122.574 -0.354 18808 3068 1 8 . 1 1 25 25 ASP CA C 25 53.994 53.994 53.989 0.006 18808 3069 1 8 . 1 1 25 25 ASP CB C 25 40.463 40.463 42.405 -1.942 18808 3070 1 8 . 1 1 25 25 ASP H H 25 8.612 8.612 8.096 0.516 18808 3071 1 8 . 1 1 26 26 THR N N 26 114.228 114.228 118.326 -4.098 18808 3072 1 8 . 1 1 26 26 THR CA C 26 61.524 61.524 60.833 0.691 18808 3073 1 8 . 1 1 26 26 THR CB C 26 69.198 69.198 70.934 -1.736 18808 3074 1 8 . 1 1 26 26 THR H H 26 8.158 8.158 8.004 0.154 18808 3075 1 8 . 1 1 27 27 MET N N 27 121.829 121.829 117.899 3.930 18808 3076 1 8 . 1 1 27 27 MET CA C 27 55.546 55.546 57.411 -1.865 18808 3077 1 8 . 1 1 27 27 MET CB C 27 31.644 31.644 33.569 -1.925 18808 3078 1 8 . 1 1 27 27 MET H H 27 8.438 8.438 8.416 0.022 18808 3079 1 8 . 1 1 30 30 LYS CA C 30 55.776 55.776 55.572 0.204 18808 3080 1 8 . 1 1 30 30 LYS CB C 30 32.174 32.174 33.639 -1.465 18808 3081 1 8 . 1 1 31 31 THR N N 31 116.696 116.696 115.819 0.877 18808 3082 1 8 . 1 1 31 31 THR CA C 31 61.760 61.760 62.613 -0.853 18808 3083 1 8 . 1 1 31 31 THR CB C 31 69.262 69.262 70.303 -1.042 18808 3084 1 8 . 1 1 31 31 THR H H 31 8.214 8.214 8.277 -0.063 18808 3085 1 8 . 1 1 32 32 VAL N N 32 124.581 124.581 118.700 5.881 18808 3086 1 8 . 1 1 32 32 VAL CA C 32 61.964 61.964 60.355 1.609 18808 3087 1 8 . 1 1 32 32 VAL H H 32 8.262 8.262 7.348 0.914 18808 3088 1 8 . 1 1 33 33 ILE N N 33 128.095 128.095 119.056 9.039 18808 3089 1 8 . 1 1 33 33 ILE CA C 33 57.573 57.573 58.888 -1.315 18808 3090 1 8 . 1 1 33 33 ILE H H 33 8.606 8.606 8.285 0.321 18808 3091 1 8 . 1 1 34 34 PRO CA C 34 63.255 63.255 62.859 0.396 18808 3092 1 8 . 1 1 34 34 PRO CB C 34 31.086 31.086 32.171 -1.085 18808 3093 1 8 . 1 1 35 35 GLY N N 35 110.169 110.169 106.888 3.281 18808 3094 1 8 . 1 1 35 35 GLY CA C 35 44.668 44.668 44.693 -0.025 18808 3095 1 8 . 1 1 35 35 GLY H H 35 8.468 8.468 8.600 -0.132 18808 3096 1 8 . 1 1 36 36 MET N N 36 121.185 121.185 121.441 -0.256 18808 3097 1 8 . 1 1 36 36 MET HA H 36 4.833 4.833 4.787 0.046 18808 3098 1 8 . 1 1 36 36 MET CA C 36 52.739 52.739 53.201 -0.462 18808 3099 1 8 . 1 1 36 36 MET CB C 36 32.162 32.162 33.372 -1.210 18808 3100 1 8 . 1 1 36 36 MET H H 36 8.235 8.235 7.740 0.495 18808 3101 1 8 . 1 1 38 38 THR N N 38 113.487 113.487 114.755 -1.268 18808 3102 1 8 . 1 1 38 38 THR H H 38 8.286 8.286 8.212 0.074 18808 3103 1 8 . 1 1 39 39 VAL CA C 39 61.780 61.780 61.404 0.376 18808 3104 1 8 . 1 1 40 40 ILE N N 40 127.358 127.358 126.340 1.018 18808 3105 1 8 . 1 1 40 40 ILE CB C 40 36.993 36.993 38.929 -1.937 18808 3106 1 8 . 1 1 40 40 ILE H H 40 8.254 8.254 8.312 -0.058 18808 3107 1 8 . 1 1 42 42 PRO CA C 42 62.198 62.198 63.035 -0.837 18808 3108 1 8 . 1 1 42 42 PRO CB C 42 31.440 31.440 31.277 0.163 18808 3109 1 8 . 1 1 43 43 GLY N N 43 107.143 107.143 112.162 -5.019 18808 3110 1 8 . 1 1 43 43 GLY CA C 43 45.443 45.443 44.672 0.771 18808 3111 1 8 . 1 1 43 43 GLY H H 43 8.405 8.405 8.569 -0.164 18808 3112 1 8 . 1 1 44 44 LEU N N 44 120.813 120.813 122.130 -1.317 18808 3113 1 8 . 1 1 44 44 LEU CA C 44 54.142 54.142 54.163 -0.021 18808 3114 1 8 . 1 1 44 44 LEU H H 44 8.148 8.148 7.991 0.157 18808 3115 1 8 . 1 1 45 45 THR N N 45 113.080 113.080 115.521 -2.441 18808 3116 1 8 . 1 1 45 45 THR CA C 45 60.668 60.668 61.087 -0.419 18808 3117 1 8 . 1 1 45 45 THR CB C 45 70.540 70.540 70.785 -0.245 18808 3118 1 8 . 1 1 45 45 THR H H 45 8.571 8.571 8.410 0.161 18808 3119 1 8 . 1 1 46 46 ARG N N 46 120.920 120.920 122.967 -2.047 18808 3120 1 8 . 1 1 46 46 ARG CA C 46 59.422 59.422 59.101 0.321 18808 3121 1 8 . 1 1 46 46 ARG CB C 46 28.617 28.617 29.417 -0.800 18808 3122 1 8 . 1 1 46 46 ARG H H 46 8.814 8.814 8.913 -0.099 18808 3123 1 8 . 1 1 47 47 GLU N N 47 119.131 119.131 119.239 -0.108 18808 3124 1 8 . 1 1 47 47 GLU CA C 47 59.797 59.797 59.652 0.145 18808 3125 1 8 . 1 1 47 47 GLU CB C 47 28.200 28.200 28.690 -0.490 18808 3126 1 8 . 1 1 47 47 GLU H H 47 8.836 8.836 8.617 0.219 18808 3127 1 8 . 1 1 48 48 GLN N N 48 119.702 119.702 119.777 -0.075 18808 3128 1 8 . 1 1 48 48 GLN CA C 48 57.803 57.803 58.640 -0.837 18808 3129 1 8 . 1 1 48 48 GLN CB C 48 28.555 28.555 28.343 0.212 18808 3130 1 8 . 1 1 48 48 GLN H H 48 7.758 7.758 7.725 0.033 18808 3131 1 8 . 1 1 49 49 GLU N N 49 122.252 122.252 120.350 1.902 18808 3132 1 8 . 1 1 49 49 GLU CA C 49 59.663 59.663 59.667 -0.004 18808 3133 1 8 . 1 1 49 49 GLU CB C 49 28.792 28.792 29.390 -0.598 18808 3134 1 8 . 1 1 49 49 GLU H H 49 8.885 8.885 8.649 0.236 18808 3135 1 8 . 1 1 50 50 ARG N N 50 118.823 118.823 118.505 0.318 18808 3136 1 8 . 1 1 50 50 ARG CA C 50 57.785 57.785 58.214 -0.429 18808 3137 1 8 . 1 1 50 50 ARG CB C 50 27.889 27.889 29.456 -1.567 18808 3138 1 8 . 1 1 50 50 ARG H H 50 7.925 7.925 7.645 0.280 18808 3139 1 8 . 1 1 51 51 ALA N N 51 119.205 119.205 123.113 -3.908 18808 3140 1 8 . 1 1 51 51 ALA CA C 51 54.557 54.557 55.031 -0.474 18808 3141 1 8 . 1 1 51 51 ALA CB C 51 17.465 17.465 18.237 -0.772 18808 3142 1 8 . 1 1 51 51 ALA H H 51 7.978 7.978 8.030 -0.052 18808 3143 1 8 . 1 1 52 52 TYR N N 52 119.802 119.802 120.121 -0.319 18808 3144 1 8 . 1 1 52 52 TYR CA C 52 61.401 61.401 62.166 -0.765 18808 3145 1 8 . 1 1 52 52 TYR H H 52 7.976 7.976 8.105 -0.129 18808 3146 1 8 . 1 1 53 53 ILE N N 53 118.566 118.566 118.960 -0.394 18808 3147 1 8 . 1 1 53 53 ILE CA C 53 63.981 63.981 65.361 -1.380 18808 3148 1 8 . 1 1 53 53 ILE CB C 53 37.334 37.334 38.314 -0.980 18808 3149 1 8 . 1 1 53 53 ILE H H 53 7.934 7.934 8.081 -0.147 18808 3150 1 8 . 1 1 54 54 VAL N N 54 121.327 121.327 117.535 3.792 18808 3151 1 8 . 1 1 54 54 VAL HA H 54 3.531 3.531 3.681 -0.150 18808 3152 1 8 . 1 1 54 54 VAL CA C 54 66.363 66.363 65.863 0.500 18808 3153 1 8 . 1 1 54 54 VAL H H 54 8.563 8.563 8.551 0.012 18808 3154 1 8 . 1 1 55 55 GLN N N 55 119.475 119.475 120.614 -1.139 18808 3155 1 8 . 1 1 55 55 GLN CA C 55 59.584 59.584 59.059 0.525 18808 3156 1 8 . 1 1 55 55 GLN CB C 55 27.312 27.312 28.763 -1.451 18808 3157 1 8 . 1 1 55 55 GLN H H 55 8.207 8.207 8.117 0.090 18808 3158 1 8 . 1 1 56 56 LEU N N 56 120.914 120.914 115.675 5.239 18808 3159 1 8 . 1 1 56 56 LEU H H 56 7.780 7.780 7.361 0.419 18808 3160 1 8 . 1 1 57 57 GLN N N 57 122.652 122.652 118.990 3.662 18808 3161 1 8 . 1 1 57 57 GLN CA C 57 58.722 58.722 58.473 0.249 18808 3162 1 8 . 1 1 57 57 GLN H H 57 8.363 8.363 7.471 0.891 18808 3163 1 8 . 1 1 58 58 ILE N N 58 120.955 120.955 121.633 -0.678 18808 3164 1 8 . 1 1 58 58 ILE CA C 58 66.631 66.631 66.224 0.407 18808 3165 1 8 . 1 1 58 58 ILE H H 58 8.876 8.876 8.697 0.179 18808 3166 1 8 . 1 1 59 59 GLU N N 59 122.355 122.355 119.091 3.264 18808 3167 1 8 . 1 1 59 59 GLU CA C 59 59.308 59.308 59.620 -0.312 18808 3168 1 8 . 1 1 59 59 GLU CB C 59 29.193 29.193 29.025 0.168 18808 3169 1 8 . 1 1 59 59 GLU H H 59 8.365 8.365 8.503 -0.138 18808 3170 1 8 . 1 1 61 61 LEU CA C 61 57.885 57.885 58.151 -0.267 18808 3171 1 8 . 1 1 62 62 THR N N 62 115.812 115.812 114.734 1.078 18808 3172 1 8 . 1 1 62 62 THR HA H 62 3.804 3.804 3.945 -0.141 18808 3173 1 8 . 1 1 62 62 THR CA C 62 67.067 67.067 66.711 0.356 18808 3174 1 8 . 1 1 62 62 THR CB C 62 68.378 68.378 68.316 0.062 18808 3175 1 8 . 1 1 62 62 THR H H 62 8.417 8.417 8.302 0.115 18808 3176 1 8 . 1 1 65 65 LEU N N 65 118.411 118.411 115.356 3.055 18808 3177 1 8 . 1 1 65 65 LEU CA C 65 56.765 56.765 57.352 -0.587 18808 3178 1 8 . 1 1 65 65 LEU H H 65 8.196 8.196 7.660 0.536 18808 3179 1 8 . 1 1 66 66 ARG N N 66 119.024 119.024 118.248 0.776 18808 3180 1 8 . 1 1 66 66 ARG CA C 66 57.751 57.751 58.467 -0.716 18808 3181 1 8 . 1 1 66 66 ARG CB C 66 29.682 29.682 30.525 -0.843 18808 3182 1 8 . 1 1 66 66 ARG H H 66 8.199 8.199 8.196 0.003 18808 3183 1 8 . 1 1 67 67 THR N N 67 109.711 109.711 109.633 0.078 18808 3184 1 8 . 1 1 67 67 THR HA H 67 4.357 4.357 4.440 -0.083 18808 3185 1 8 . 1 1 67 67 THR CA C 67 62.199 62.199 61.315 0.885 18808 3186 1 8 . 1 1 67 67 THR CB C 67 70.266 70.266 69.957 0.309 18808 3187 1 8 . 1 1 67 67 THR H H 67 7.993 7.993 8.070 -0.077 18808 3188 1 8 . 1 1 68 68 GLY N N 68 110.782 110.782 110.659 0.123 18808 3189 1 8 . 1 1 68 68 GLY CA C 68 45.519 45.519 45.082 0.437 18808 3190 1 8 . 1 1 68 68 GLY H H 68 8.065 8.065 7.890 0.175 18808 3191 1 8 . 1 1 69 69 ASP N N 69 121.620 121.620 119.996 1.624 18808 3192 1 8 . 1 1 69 69 ASP CA C 69 53.196 53.196 53.983 -0.788 18808 3193 1 8 . 1 1 69 69 ASP CB C 69 39.719 39.719 40.816 -1.097 18808 3194 1 8 . 1 1 69 69 ASP H H 69 8.096 8.096 7.848 0.248 18808 3195 1 8 . 1 1 70 70 LEU N N 70 120.862 120.862 126.536 -5.674 18808 3196 1 8 . 1 1 70 70 LEU CA C 70 54.820 54.820 54.661 0.159 18808 3197 1 8 . 1 1 70 70 LEU H H 70 8.023 8.023 7.641 0.382 18808 3198 1 8 . 1 1 71 71 GLY N N 71 108.143 108.143 104.795 3.348 18808 3199 1 8 . 1 1 71 71 GLY CA C 71 45.026 45.026 44.911 0.115 18808 3200 1 8 . 1 1 71 71 GLY H H 71 8.433 8.433 8.097 0.336 18808 3201 1 8 . 1 1 72 72 ILE N N 72 121.288 121.288 119.479 1.809 18808 3202 1 8 . 1 1 72 72 ILE CA C 72 58.132 58.132 59.038 -0.906 18808 3203 1 8 . 1 1 72 72 ILE CB C 72 37.749 37.749 38.110 -0.361 18808 3204 1 8 . 1 1 72 72 ILE H H 72 7.863 7.863 8.138 -0.275 18808 3205 1 8 . 1 1 73 73 PRO HA H 73 4.665 4.665 4.768 -0.103 18808 3206 1 8 . 1 1 73 73 PRO CA C 73 61.094 61.094 61.471 -0.377 18808 3207 1 8 . 1 1 74 74 PRO CA C 74 62.599 62.599 63.342 -0.743 18808 3208 1 8 . 1 1 74 74 PRO CB C 74 31.140 31.140 32.107 -0.967 18808 3209 1 8 . 1 1 75 75 ASN N N 75 119.457 119.457 122.990 -3.533 18808 3210 1 8 . 1 1 75 75 ASN HA H 75 4.972 4.972 5.008 -0.036 18808 3211 1 8 . 1 1 75 75 ASN CA C 75 50.708 50.708 51.646 -0.938 18808 3212 1 8 . 1 1 75 75 ASN CB C 75 38.220 38.220 39.280 -1.060 18808 3213 1 8 . 1 1 75 75 ASN H H 75 8.476 8.476 8.519 -0.043 18808 3214 1 8 . 1 1 76 76 PRO HA H 76 4.331 4.331 4.597 -0.266 18808 3215 1 8 . 1 1 76 76 PRO CA C 76 63.643 63.643 63.448 0.195 18808 3216 1 8 . 1 1 76 76 PRO CB C 76 31.191 31.191 31.248 -0.057 18808 3217 1 8 . 1 1 77 77 GLU N N 77 118.567 118.567 122.215 -3.648 18808 3218 1 8 . 1 1 77 77 GLU HA H 77 4.223 4.223 4.318 -0.095 18808 3219 1 8 . 1 1 77 77 GLU CA C 77 56.457 56.457 56.971 -0.514 18808 3220 1 8 . 1 1 77 77 GLU CB C 77 28.811 28.811 31.057 -2.246 18808 3221 1 8 . 1 1 77 77 GLU H H 77 8.491 8.491 8.285 0.206 18808 3222 1 8 . 1 1 78 78 ASP N N 78 120.557 120.557 120.476 0.081 18808 3223 1 8 . 1 1 78 78 ASP CA C 78 54.073 54.073 54.274 -0.201 18808 3224 1 8 . 1 1 78 78 ASP CB C 78 40.455 40.455 41.874 -1.419 18808 3225 1 8 . 1 1 78 78 ASP H H 78 8.015 8.015 8.407 -0.392 18808 3226 1 8 . 1 1 79 79 ARG N N 79 121.090 121.090 124.634 -3.544 18808 3227 1 8 . 1 1 79 79 ARG CA C 79 55.406 55.406 56.505 -1.099 18808 3228 1 8 . 1 1 79 79 ARG CB C 79 29.636 29.636 31.403 -1.767 18808 3229 1 8 . 1 1 79 79 ARG H H 79 8.120 8.120 8.598 -0.478 18808 3230 1 8 . 1 1 80 80 SER N N 80 118.342 118.342 114.964 3.378 18808 3231 1 8 . 1 1 80 80 SER HA H 80 4.704 4.704 4.707 -0.003 18808 3232 1 8 . 1 1 80 80 SER CA C 80 56.232 56.232 56.576 -0.344 18808 3233 1 8 . 1 1 80 80 SER CB C 80 62.761 62.761 64.519 -1.758 18808 3234 1 8 . 1 1 80 80 SER H H 80 8.337 8.337 8.147 0.190 18808 3235 1 8 . 1 1 81 81 PRO CA C 81 62.870 62.870 62.865 0.005 18808 3236 1 8 . 1 1 81 81 PRO CB C 81 31.134 31.134 32.434 -1.300 18808 3237 1 8 . 1 1 82 82 SER N N 82 117.424 117.424 116.318 1.106 18808 3238 1 8 . 1 1 82 82 SER HA H 82 4.726 4.726 4.724 0.002 18808 3239 1 8 . 1 1 82 82 SER CA C 82 55.808 55.808 55.850 -0.042 18808 3240 1 8 . 1 1 82 82 SER CB C 82 62.903 62.903 63.842 -0.938 18808 3241 1 8 . 1 1 82 82 SER H H 82 8.358 8.358 8.174 0.184 18808 3242 1 8 . 1 1 83 83 PRO CA C 83 62.778 62.778 62.498 0.279 18808 3243 1 8 . 1 1 84 84 GLU N N 84 122.184 122.184 120.777 1.407 18808 3244 1 8 . 1 1 84 84 GLU HA H 84 4.539 4.539 4.234 0.305 18808 3245 1 8 . 1 1 84 84 GLU CA C 84 53.934 53.934 57.450 -3.516 18808 3246 1 8 . 1 1 84 84 GLU CB C 84 28.861 28.861 29.231 -0.370 18808 3247 1 8 . 1 1 84 84 GLU H H 84 8.295 8.295 8.694 -0.399 18808 3248 1 8 . 1 1 85 85 PRO CA C 85 62.675 62.675 62.634 0.041 18808 3249 1 8 . 1 1 85 85 PRO CB C 85 31.123 31.123 32.187 -1.064 18808 3250 1 8 . 1 1 86 86 ILE N N 86 120.522 120.522 120.196 0.326 18808 3251 1 8 . 1 1 86 86 ILE CA C 86 60.553 60.553 61.405 -0.852 18808 3252 1 8 . 1 1 86 86 ILE CB C 86 38.305 38.305 38.925 -0.619 18808 3253 1 8 . 1 1 86 86 ILE H H 86 8.052 8.052 7.921 0.131 18808 3254 1 8 . 1 1 87 87 TYR N N 87 123.178 123.178 129.222 -6.044 18808 3255 1 8 . 1 1 87 87 TYR HA H 87 4.905 4.905 4.511 0.394 18808 3256 1 8 . 1 1 87 87 TYR CA C 87 56.744 56.744 58.072 -1.329 18808 3257 1 8 . 1 1 87 87 TYR CB C 87 39.324 39.324 39.109 0.215 18808 3258 1 8 . 1 1 87 87 TYR H H 87 8.272 8.272 8.432 -0.160 18808 3259 1 8 . 1 1 88 88 ASN N N 88 120.123 120.123 122.915 -2.792 18808 3260 1 8 . 1 1 88 88 ASN HA H 88 4.801 4.801 4.511 0.290 18808 3261 1 8 . 1 1 88 88 ASN CA C 88 51.734 51.734 52.877 -1.143 18808 3262 1 8 . 1 1 88 88 ASN CB C 88 38.209 38.209 39.206 -0.997 18808 3263 1 8 . 1 1 88 88 ASN H H 88 8.466 8.466 8.106 0.360 18808 3264 1 8 . 1 1 89 89 SER N N 89 115.872 115.872 118.157 -2.285 18808 3265 1 8 . 1 1 89 89 SER HA H 89 4.276 4.276 4.141 0.135 18808 3266 1 8 . 1 1 89 89 SER CA C 89 59.589 59.589 59.644 -0.055 18808 3267 1 8 . 1 1 89 89 SER CB C 89 62.695 62.695 63.759 -1.064 18808 3268 1 8 . 1 1 89 89 SER H H 89 8.460 8.460 8.599 -0.139 18808 3269 1 8 . 1 1 90 90 GLU CA C 90 56.320 56.320 58.252 -1.932 18808 3270 1 8 . 1 1 90 90 GLU CB C 90 29.074 29.074 28.773 0.301 18808 3271 1 8 . 1 1 91 91 GLY N N 91 108.520 108.520 109.236 -0.716 18808 3272 1 8 . 1 1 91 91 GLY CA C 91 45.175 45.175 45.000 0.175 18808 3273 1 8 . 1 1 91 91 GLY H H 91 8.245 8.245 8.354 -0.109 18808 3274 1 8 . 1 1 92 92 LYS N N 92 120.880 120.880 120.956 -0.076 18808 3275 1 8 . 1 1 92 92 LYS CA C 92 55.393 55.393 56.654 -1.261 18808 3276 1 8 . 1 1 92 92 LYS CB C 92 32.047 32.047 32.856 -0.809 18808 3277 1 8 . 1 1 92 92 LYS H H 92 8.022 8.022 7.669 0.353 18808 3278 1 8 . 1 1 93 93 ARG N N 93 123.484 123.484 117.061 6.423 18808 3279 1 8 . 1 1 93 93 ARG HA H 93 4.230 4.230 3.900 0.330 18808 3280 1 8 . 1 1 93 93 ARG CA C 93 55.894 55.894 58.080 -2.186 18808 3281 1 8 . 1 1 93 93 ARG CB C 93 30.480 30.480 28.744 1.736 18808 3282 1 8 . 1 1 93 93 ARG H H 93 8.476 8.476 8.411 0.065 18808 3283 1 8 . 1 1 94 94 LEU N N 94 124.336 124.336 120.371 3.965 18808 3284 1 8 . 1 1 94 94 LEU HA H 94 4.323 4.323 4.457 -0.134 18808 3285 1 8 . 1 1 94 94 LEU CA C 94 54.606 54.606 54.249 0.356 18808 3286 1 8 . 1 1 94 94 LEU H H 94 8.391 8.391 8.016 0.375 18808 3287 1 8 . 1 1 95 95 ASN N N 95 119.662 119.662 117.349 2.313 18808 3288 1 8 . 1 1 95 95 ASN HA H 95 4.793 4.793 4.702 0.091 18808 3289 1 8 . 1 1 95 95 ASN CA C 95 52.490 52.490 54.060 -1.570 18808 3290 1 8 . 1 1 95 95 ASN CB C 95 38.070 38.070 39.023 -0.952 18808 3291 1 8 . 1 1 95 95 ASN H H 95 8.533 8.533 8.315 0.218 18808 3292 1 8 . 1 1 96 96 THR N N 96 114.180 114.180 117.262 -3.082 18808 3293 1 8 . 1 1 96 96 THR CA C 96 62.469 62.469 62.877 -0.408 18808 3294 1 8 . 1 1 96 96 THR H H 96 8.128 8.128 8.567 -0.439 18808 3295 1 8 . 1 1 97 97 ARG N N 97 122.577 122.577 122.561 0.016 18808 3296 1 8 . 1 1 97 97 ARG CA C 97 58.053 58.053 59.767 -1.714 18808 3297 1 8 . 1 1 97 97 ARG H H 97 8.626 8.626 8.531 0.095 18808 3298 1 8 . 1 1 98 98 GLU N N 98 121.594 121.594 120.441 1.153 18808 3299 1 8 . 1 1 98 98 GLU CA C 98 58.320 58.320 59.685 -1.365 18808 3300 1 8 . 1 1 98 98 GLU H H 98 8.607 8.607 8.782 -0.175 18808 3301 1 8 . 1 1 100 100 ARG CA C 100 58.113 58.113 60.058 -1.945 18808 3302 1 8 . 1 1 101 101 THR N N 101 115.806 115.806 116.556 -0.750 18808 3303 1 8 . 1 1 101 101 THR HA H 101 3.987 3.987 3.961 0.026 18808 3304 1 8 . 1 1 101 101 THR CA C 101 64.627 64.627 66.645 -2.018 18808 3305 1 8 . 1 1 101 101 THR H H 101 8.091 8.091 7.976 0.115 18808 3306 1 8 . 1 1 102 102 ARG N N 102 122.017 122.017 120.553 1.464 18808 3307 1 8 . 1 1 102 102 ARG CA C 102 60.055 60.055 59.822 0.233 18808 3308 1 8 . 1 1 102 102 ARG H H 102 8.430 8.430 8.396 0.034 18808 3309 1 8 . 1 1 103 103 LYS N N 103 117.689 117.689 119.738 -2.049 18808 3310 1 8 . 1 1 103 103 LYS CA C 103 58.573 58.573 58.167 0.406 18808 3311 1 8 . 1 1 103 103 LYS H H 103 7.975 7.975 8.240 -0.265 18808 3312 1 8 . 1 1 104 104 LYS N N 104 119.765 119.765 119.806 -0.041 18808 3313 1 8 . 1 1 104 104 LYS CA C 104 58.500 58.500 58.666 -0.166 18808 3314 1 8 . 1 1 104 104 LYS CB C 104 31.083 31.083 31.754 -0.671 18808 3315 1 8 . 1 1 104 104 LYS H H 104 7.674 7.674 7.538 0.136 18808 3316 1 8 . 1 1 105 105 LEU N N 105 120.812 120.812 118.921 1.891 18808 3317 1 8 . 1 1 105 105 LEU CA C 105 57.813 57.813 58.087 -0.274 18808 3318 1 8 . 1 1 105 105 LEU H H 105 8.120 8.120 7.876 0.244 18808 3319 1 8 . 1 1 106 106 GLU N N 106 118.877 118.877 118.806 0.071 18808 3320 1 8 . 1 1 106 106 GLU CA C 106 59.150 59.150 59.627 -0.477 18808 3321 1 8 . 1 1 106 106 GLU CB C 106 29.012 29.012 29.017 -0.005 18808 3322 1 8 . 1 1 106 106 GLU H H 106 8.707 8.707 7.945 0.762 18808 3323 1 8 . 1 1 107 107 GLU N N 107 122.176 122.176 118.872 3.304 18808 3324 1 8 . 1 1 107 107 GLU H H 107 8.357 8.357 8.158 0.199 18808 3325 1 8 . 1 1 108 108 GLU N N 108 121.565 121.565 119.671 1.894 18808 3326 1 8 . 1 1 108 108 GLU H H 108 8.322 8.322 7.996 0.326 18808 3327 1 8 . 1 1 109 109 ARG N N 109 118.431 118.431 119.887 -1.456 18808 3328 1 8 . 1 1 109 109 ARG H H 109 8.613 8.613 8.200 0.413 18808 3329 1 8 . 1 1 110 110 HIS N N 110 119.577 119.577 118.402 1.175 18808 3330 1 8 . 1 1 110 110 HIS CA C 110 60.031 60.031 59.194 0.837 18808 3331 1 8 . 1 1 110 110 HIS H H 110 8.541 8.541 8.574 -0.033 18808 3332 1 8 . 1 1 111 111 ASN N N 111 119.551 119.551 118.466 1.085 18808 3333 1 8 . 1 1 111 111 ASN CB C 111 36.981 36.981 38.324 -1.343 18808 3334 1 8 . 1 1 111 111 ASN H H 111 8.401 8.401 8.177 0.224 18808 3335 1 8 . 1 1 112 112 LEU N N 112 121.995 121.995 119.976 2.019 18808 3336 1 8 . 1 1 112 112 LEU CA C 112 57.434 57.434 57.734 -0.300 18808 3337 1 8 . 1 1 112 112 LEU H H 112 8.088 8.088 7.616 0.472 18808 3338 1 8 . 1 1 113 113 ILE N N 113 121.510 121.510 120.799 0.711 18808 3339 1 8 . 1 1 113 113 ILE CA C 113 65.489 65.489 64.708 0.781 18808 3340 1 8 . 1 1 113 113 ILE H H 113 8.527 8.527 8.653 -0.126 18808 3341 1 8 . 1 1 114 114 THR N N 114 115.127 115.127 116.091 -0.964 18808 3342 1 8 . 1 1 114 114 THR HA H 114 3.748 3.748 3.959 -0.211 18808 3343 1 8 . 1 1 114 114 THR CA C 114 66.173 66.173 67.643 -1.470 18808 3344 1 8 . 1 1 114 114 THR CB C 114 68.210 68.210 68.456 -0.246 18808 3345 1 8 . 1 1 114 114 THR H H 114 8.102 8.102 8.479 -0.377 18808 3346 1 8 . 1 1 115 115 GLU N N 115 123.316 123.316 122.171 1.145 18808 3347 1 8 . 1 1 115 115 GLU CA C 115 58.663 58.663 59.249 -0.587 18808 3348 1 8 . 1 1 115 115 GLU CB C 115 28.390 28.390 29.585 -1.195 18808 3349 1 8 . 1 1 115 115 GLU H H 115 7.473 7.473 7.547 -0.074 18808 3350 1 8 . 1 1 116 116 MET N N 116 119.934 119.934 119.929 0.005 18808 3351 1 8 . 1 1 116 116 MET CA C 116 56.561 56.561 59.261 -2.700 18808 3352 1 8 . 1 1 116 116 MET H H 116 8.442 8.442 8.565 -0.123 18808 3353 1 8 . 1 1 117 117 VAL N N 117 117.688 117.688 119.910 -2.222 18808 3354 1 8 . 1 1 117 117 VAL HA H 117 3.946 3.946 4.230 -0.284 18808 3355 1 8 . 1 1 117 117 VAL CA C 117 61.989 61.989 66.225 -4.236 18808 3356 1 8 . 1 1 117 117 VAL H H 117 8.332 8.332 8.688 -0.356 18808 3357 1 8 . 1 1 118 118 ALA N N 118 120.568 120.568 121.948 -1.380 18808 3358 1 8 . 1 1 118 118 ALA HA H 118 4.173 4.173 4.158 0.015 18808 3359 1 8 . 1 1 118 118 ALA CA C 118 53.531 53.531 54.886 -1.355 18808 3360 1 8 . 1 1 118 118 ALA CB C 118 17.606 17.606 18.673 -1.067 18808 3361 1 8 . 1 1 118 118 ALA H H 118 7.143 7.143 7.527 -0.384 18808 3362 1 8 . 1 1 119 119 LEU N N 119 118.032 118.032 118.212 -0.180 18808 3363 1 8 . 1 1 119 119 LEU CA C 119 56.245 56.245 56.537 -0.292 18808 3364 1 8 . 1 1 119 119 LEU H H 119 7.585 7.585 8.103 -0.518 18808 3365 1 8 . 1 1 120 120 ASN N N 120 115.407 115.407 115.610 -0.203 18808 3366 1 8 . 1 1 120 120 ASN HA H 120 5.065 5.065 5.151 -0.086 18808 3367 1 8 . 1 1 120 120 ASN CA C 120 49.613 49.613 50.076 -0.463 18808 3368 1 8 . 1 1 120 120 ASN CB C 120 38.651 38.651 39.923 -1.272 18808 3369 1 8 . 1 1 120 120 ASN H H 120 8.512 8.512 8.156 0.356 18808 3370 1 8 . 1 1 121 121 PRO HA H 121 4.711 4.711 4.582 0.129 18808 3371 1 8 . 1 1 121 121 PRO CA C 121 63.796 63.796 64.613 -0.817 18808 3372 1 8 . 1 1 121 121 PRO CB C 121 31.383 31.383 32.356 -0.973 18808 3373 1 8 . 1 1 122 122 ASP N N 122 115.768 115.768 117.523 -1.755 18808 3374 1 8 . 1 1 122 122 ASP CA C 122 53.863 53.863 53.746 0.117 18808 3375 1 8 . 1 1 122 122 ASP CB C 122 40.647 40.647 41.573 -0.926 18808 3376 1 8 . 1 1 122 122 ASP H H 122 7.676 7.676 8.013 -0.337 18808 3377 1 8 . 1 1 123 123 PHE N N 123 122.733 122.733 121.679 1.054 18808 3378 1 8 . 1 1 123 123 PHE HA H 123 4.181 4.181 4.401 -0.220 18808 3379 1 8 . 1 1 123 123 PHE CA C 123 58.501 58.501 58.777 -0.276 18808 3380 1 8 . 1 1 123 123 PHE CB C 123 38.660 38.660 39.666 -1.006 18808 3381 1 8 . 1 1 123 123 PHE H H 123 7.989 7.989 7.461 0.528 18808 3382 1 8 . 1 1 124 124 LYS N N 124 129.392 129.392 128.628 0.764 18808 3383 1 8 . 1 1 124 124 LYS HA H 124 4.592 4.592 4.396 0.196 18808 3384 1 8 . 1 1 124 124 LYS CA C 124 51.210 51.210 51.996 -0.786 18808 3385 1 8 . 1 1 124 124 LYS CB C 124 31.495 31.495 31.906 -0.411 18808 3386 1 8 . 1 1 124 124 LYS H H 124 7.686 7.686 8.318 -0.632 18808 3387 1 8 . 1 1 125 125 PRO HA H 125 4.139 4.139 4.240 -0.101 18808 3388 1 8 . 1 1 125 125 PRO CA C 125 60.556 60.556 61.336 -0.780 18808 3389 1 8 . 1 1 126 126 PRO HA H 126 4.771 4.771 4.344 0.427 18808 3390 1 8 . 1 1 126 126 PRO CA C 126 62.246 62.246 62.945 -0.699 18808 3391 1 8 . 1 1 126 126 PRO CB C 126 31.352 31.352 32.172 -0.820 18808 3392 1 8 . 1 1 127 127 ALA N N 127 123.830 123.830 124.702 -0.872 18808 3393 1 8 . 1 1 127 127 ALA HA H 127 4.105 4.105 4.067 0.038 18808 3394 1 8 . 1 1 127 127 ALA CA C 127 54.149 54.149 54.531 -0.382 18808 3395 1 8 . 1 1 127 127 ALA CB C 127 18.076 18.076 18.776 -0.700 18808 3396 1 8 . 1 1 127 127 ALA H H 127 8.691 8.691 8.588 0.103 18808 3397 1 8 . 1 1 128 128 ASP N N 128 112.954 112.954 114.818 -1.864 18808 3398 1 8 . 1 1 128 128 ASP CA C 128 53.203 53.203 55.542 -2.339 18808 3399 1 8 . 1 1 128 128 ASP CB C 128 39.728 39.728 40.832 -1.104 18808 3400 1 8 . 1 1 128 128 ASP H H 128 8.403 8.403 8.447 -0.044 18808 3401 1 8 . 1 1 129 129 TYR N N 129 121.200 121.200 120.394 0.806 18808 3402 1 8 . 1 1 129 129 TYR CA C 129 57.918 57.918 57.900 0.018 18808 3403 1 8 . 1 1 129 129 TYR CB C 129 38.075 38.075 40.049 -1.974 18808 3404 1 8 . 1 1 129 129 TYR H H 129 7.650 7.650 7.378 0.272 18808 3405 1 8 . 1 1 130 130 LYS N N 130 129.878 129.878 129.328 0.550 18808 3406 1 8 . 1 1 130 130 LYS HA H 130 4.361 4.361 4.536 -0.175 18808 3407 1 8 . 1 1 130 130 LYS CA C 130 52.063 52.063 53.481 -1.418 18808 3408 1 8 . 1 1 130 130 LYS CB C 130 32.565 32.565 32.092 0.473 18808 3409 1 8 . 1 1 130 130 LYS H H 130 7.784 7.784 7.957 -0.173 18808 3410 1 8 . 1 1 132 132 PRO CA C 132 62.394 62.394 64.064 -1.670 18808 3411 1 8 . 1 1 132 132 PRO CB C 132 29.945 29.945 31.831 -1.887 18808 3412 1 8 . 1 1 133 133 ALA N N 133 124.238 124.238 118.304 5.934 18808 3413 1 8 . 1 1 133 133 ALA HA H 133 4.293 4.293 4.322 -0.029 18808 3414 1 8 . 1 1 133 133 ALA CA C 133 52.004 52.004 52.636 -0.631 18808 3415 1 8 . 1 1 133 133 ALA CB C 133 18.521 18.521 18.905 -0.384 18808 3416 1 8 . 1 1 133 133 ALA H H 133 8.375 8.375 7.907 0.468 18808 3417 1 9 . 1 1 3 3 THR N N 3 118.281 118.281 115.730 2.551 18808 3418 1 9 . 1 1 3 3 THR HA H 3 4.220 4.220 4.470 -0.250 18808 3419 1 9 . 1 1 3 3 THR CA C 3 61.481 61.481 61.676 -0.195 18808 3420 1 9 . 1 1 3 3 THR CB C 3 69.427 69.427 69.115 0.312 18808 3421 1 9 . 1 1 3 3 THR H H 3 8.283 8.283 7.831 0.452 18808 3422 1 9 . 1 1 4 4 GLY N N 4 111.418 111.418 111.512 -0.094 18808 3423 1 9 . 1 1 4 4 GLY CA C 4 44.811 44.811 45.679 -0.868 18808 3424 1 9 . 1 1 4 4 GLY H H 4 8.445 8.445 8.476 -0.031 18808 3425 1 9 . 1 1 5 5 ALA N N 5 123.764 123.764 124.062 -0.298 18808 3426 1 9 . 1 1 5 5 ALA HA H 5 4.324 4.324 3.841 0.483 18808 3427 1 9 . 1 1 5 5 ALA CA C 5 52.237 52.237 54.234 -1.997 18808 3428 1 9 . 1 1 5 5 ALA CB C 5 18.688 18.688 17.245 1.443 18808 3429 1 9 . 1 1 5 5 ALA H H 5 8.229 8.229 8.004 0.225 18808 3430 1 9 . 1 1 6 6 ASN N N 6 117.534 117.534 121.539 -4.005 18808 3431 1 9 . 1 1 6 6 ASN HA H 6 4.672 4.672 4.676 -0.004 18808 3432 1 9 . 1 1 6 6 ASN CA C 6 52.760 52.760 53.548 -0.788 18808 3433 1 9 . 1 1 6 6 ASN CB C 6 38.294 38.294 39.117 -0.824 18808 3434 1 9 . 1 1 6 6 ASN H H 6 8.426 8.426 8.767 -0.341 18808 3435 1 9 . 1 1 7 7 ALA N N 7 124.230 124.230 121.106 3.124 18808 3436 1 9 . 1 1 7 7 ALA HA H 7 4.375 4.375 4.602 -0.227 18808 3437 1 9 . 1 1 7 7 ALA CA C 7 52.033 52.033 51.290 0.743 18808 3438 1 9 . 1 1 7 7 ALA CB C 7 18.611 18.611 20.423 -1.812 18808 3439 1 9 . 1 1 7 7 ALA H H 7 8.171 8.171 8.245 -0.074 18808 3440 1 9 . 1 1 8 8 THR N N 8 116.291 116.291 114.240 2.051 18808 3441 1 9 . 1 1 8 8 THR HA H 8 4.613 4.613 4.599 0.014 18808 3442 1 9 . 1 1 8 8 THR CA C 8 59.445 59.445 58.984 0.461 18808 3443 1 9 . 1 1 8 8 THR CB C 8 69.200 69.200 69.281 -0.081 18808 3444 1 9 . 1 1 8 8 THR H H 8 8.211 8.211 8.076 0.135 18808 3445 1 9 . 1 1 9 9 PRO CA C 9 62.885 62.885 62.890 -0.005 18808 3446 1 9 . 1 1 9 9 PRO CB C 9 31.241 31.241 32.359 -1.118 18808 3447 1 9 . 1 1 10 10 LEU N N 10 121.874 121.874 124.838 -2.964 18808 3448 1 9 . 1 1 10 10 LEU HA H 10 4.257 4.257 4.298 -0.041 18808 3449 1 9 . 1 1 10 10 LEU CA C 10 54.751 54.751 56.166 -1.415 18808 3450 1 9 . 1 1 10 10 LEU H H 10 8.245 8.245 8.456 -0.211 18808 3451 1 9 . 1 1 11 11 ASP N N 11 120.266 120.266 123.271 -3.005 18808 3452 1 9 . 1 1 11 11 ASP CA C 11 53.652 53.652 54.204 -0.552 18808 3453 1 9 . 1 1 11 11 ASP CB C 11 40.760 40.760 42.023 -1.262 18808 3454 1 9 . 1 1 11 11 ASP H H 11 8.091 8.091 8.715 -0.624 18808 3455 1 9 . 1 1 12 12 PHE N N 12 121.243 121.243 120.914 0.329 18808 3456 1 9 . 1 1 12 12 PHE CA C 12 55.502 55.502 54.997 0.505 18808 3457 1 9 . 1 1 12 12 PHE CB C 12 38.370 38.370 39.519 -1.149 18808 3458 1 9 . 1 1 12 12 PHE H H 12 8.058 8.058 7.865 0.193 18808 3459 1 9 . 1 1 13 13 PRO CA C 13 63.035 63.035 63.502 -0.467 18808 3460 1 9 . 1 1 13 13 PRO CB C 13 31.024 31.024 32.022 -0.998 18808 3461 1 9 . 1 1 14 14 SER N N 14 115.993 115.993 118.885 -2.892 18808 3462 1 9 . 1 1 14 14 SER CA C 14 58.010 58.010 57.090 0.920 18808 3463 1 9 . 1 1 14 14 SER CB C 14 63.227 63.227 64.152 -0.925 18808 3464 1 9 . 1 1 14 14 SER H H 14 8.301 8.301 8.280 0.021 18808 3465 1 9 . 1 1 15 15 LYS N N 15 123.610 123.610 120.798 2.812 18808 3466 1 9 . 1 1 15 15 LYS CA C 15 55.871 55.871 57.471 -1.600 18808 3467 1 9 . 1 1 15 15 LYS CB C 15 32.035 32.035 30.886 1.149 18808 3468 1 9 . 1 1 15 15 LYS H H 15 8.319 8.319 8.589 -0.270 18808 3469 1 9 . 1 1 18 18 LYS CB C 18 32.178 32.178 33.840 -1.662 18808 3470 1 9 . 1 1 19 19 ARG N N 19 121.722 121.722 121.909 -0.187 18808 3471 1 9 . 1 1 19 19 ARG CA C 19 55.272 55.272 55.432 -0.160 18808 3472 1 9 . 1 1 19 19 ARG CB C 19 30.231 30.231 31.731 -1.500 18808 3473 1 9 . 1 1 19 19 ARG H H 19 8.327 8.327 8.115 0.212 18808 3474 1 9 . 1 1 20 20 SER N N 20 116.915 116.915 120.235 -3.320 18808 3475 1 9 . 1 1 20 20 SER CA C 20 56.632 56.632 58.641 -2.009 18808 3476 1 9 . 1 1 20 20 SER CB C 20 63.767 63.767 63.773 -0.006 18808 3477 1 9 . 1 1 20 20 SER H H 20 8.455 8.455 8.604 -0.149 18808 3478 1 9 . 1 1 21 21 ARG N N 21 128.321 128.321 122.494 5.827 18808 3479 1 9 . 1 1 21 21 ARG CA C 21 56.363 56.363 55.934 0.429 18808 3480 1 9 . 1 1 21 21 ARG CB C 21 27.800 27.800 30.229 -2.429 18808 3481 1 9 . 1 1 21 21 ARG H H 21 10.106 10.106 8.649 1.456 18808 3482 1 9 . 1 1 22 22 TRP N N 22 122.075 122.075 120.590 1.485 18808 3483 1 9 . 1 1 22 22 TRP CA C 22 57.297 57.297 56.758 0.539 18808 3484 1 9 . 1 1 22 22 TRP CB C 22 28.494 28.494 28.741 -0.247 18808 3485 1 9 . 1 1 22 22 TRP H H 22 8.077 8.077 8.082 -0.005 18808 3486 1 9 . 1 1 23 23 ASN N N 23 122.985 122.985 119.661 3.324 18808 3487 1 9 . 1 1 23 23 ASN CA C 23 53.861 53.861 53.358 0.503 18808 3488 1 9 . 1 1 23 23 ASN CB C 23 38.205 38.205 39.758 -1.552 18808 3489 1 9 . 1 1 23 23 ASN H H 23 8.817 8.817 8.312 0.505 18808 3490 1 9 . 1 1 24 24 GLN N N 24 122.244 122.244 114.977 7.267 18808 3491 1 9 . 1 1 24 24 GLN CA C 24 55.338 55.338 55.872 -0.534 18808 3492 1 9 . 1 1 24 24 GLN CB C 24 28.621 28.621 30.195 -1.574 18808 3493 1 9 . 1 1 24 24 GLN H H 24 8.795 8.795 8.467 0.328 18808 3494 1 9 . 1 1 25 25 ASP N N 25 122.220 122.220 121.470 0.750 18808 3495 1 9 . 1 1 25 25 ASP CA C 25 53.994 53.994 53.819 0.174 18808 3496 1 9 . 1 1 25 25 ASP CB C 25 40.463 40.463 41.950 -1.487 18808 3497 1 9 . 1 1 25 25 ASP H H 25 8.612 8.612 8.127 0.485 18808 3498 1 9 . 1 1 26 26 THR N N 26 114.228 114.228 114.664 -0.436 18808 3499 1 9 . 1 1 26 26 THR CA C 26 61.524 61.524 62.849 -1.325 18808 3500 1 9 . 1 1 26 26 THR CB C 26 69.198 69.198 67.995 1.203 18808 3501 1 9 . 1 1 26 26 THR H H 26 8.158 8.158 8.281 -0.123 18808 3502 1 9 . 1 1 27 27 MET N N 27 121.829 121.829 119.830 1.999 18808 3503 1 9 . 1 1 27 27 MET CA C 27 55.546 55.546 56.616 -1.070 18808 3504 1 9 . 1 1 27 27 MET CB C 27 31.644 31.644 33.409 -1.765 18808 3505 1 9 . 1 1 27 27 MET H H 27 8.438 8.438 8.293 0.145 18808 3506 1 9 . 1 1 30 30 LYS CA C 30 55.776 55.776 57.084 -1.308 18808 3507 1 9 . 1 1 30 30 LYS CB C 30 32.174 32.174 32.905 -0.731 18808 3508 1 9 . 1 1 31 31 THR N N 31 116.696 116.696 116.251 0.445 18808 3509 1 9 . 1 1 31 31 THR CA C 31 61.760 61.760 61.494 0.266 18808 3510 1 9 . 1 1 31 31 THR CB C 31 69.262 69.262 69.238 0.024 18808 3511 1 9 . 1 1 31 31 THR H H 31 8.214 8.214 7.804 0.410 18808 3512 1 9 . 1 1 32 32 VAL N N 32 124.581 124.581 121.300 3.281 18808 3513 1 9 . 1 1 32 32 VAL CA C 32 61.964 61.964 60.516 1.448 18808 3514 1 9 . 1 1 32 32 VAL H H 32 8.262 8.262 8.389 -0.127 18808 3515 1 9 . 1 1 33 33 ILE N N 33 128.095 128.095 125.446 2.649 18808 3516 1 9 . 1 1 33 33 ILE CA C 33 57.573 57.573 58.091 -0.518 18808 3517 1 9 . 1 1 33 33 ILE H H 33 8.606 8.606 8.266 0.340 18808 3518 1 9 . 1 1 34 34 PRO CA C 34 63.255 63.255 62.844 0.410 18808 3519 1 9 . 1 1 34 34 PRO CB C 34 31.086 31.086 32.640 -1.554 18808 3520 1 9 . 1 1 35 35 GLY N N 35 110.169 110.169 111.060 -0.891 18808 3521 1 9 . 1 1 35 35 GLY CA C 35 44.668 44.668 45.250 -0.582 18808 3522 1 9 . 1 1 35 35 GLY H H 35 8.468 8.468 8.618 -0.150 18808 3523 1 9 . 1 1 36 36 MET N N 36 121.185 121.185 122.020 -0.835 18808 3524 1 9 . 1 1 36 36 MET HA H 36 4.833 4.833 4.707 0.126 18808 3525 1 9 . 1 1 36 36 MET CA C 36 52.739 52.739 52.938 -0.199 18808 3526 1 9 . 1 1 36 36 MET CB C 36 32.162 32.162 31.570 0.592 18808 3527 1 9 . 1 1 36 36 MET H H 36 8.235 8.235 8.344 -0.109 18808 3528 1 9 . 1 1 38 38 THR N N 38 113.487 113.487 110.086 3.401 18808 3529 1 9 . 1 1 38 38 THR H H 38 8.286 8.286 8.196 0.090 18808 3530 1 9 . 1 1 39 39 VAL CA C 39 61.780 61.780 63.066 -1.286 18808 3531 1 9 . 1 1 40 40 ILE N N 40 127.358 127.358 128.043 -0.685 18808 3532 1 9 . 1 1 40 40 ILE CB C 40 36.993 36.993 39.081 -2.088 18808 3533 1 9 . 1 1 40 40 ILE H H 40 8.254 8.254 8.151 0.103 18808 3534 1 9 . 1 1 42 42 PRO CA C 42 62.198 62.198 63.209 -1.011 18808 3535 1 9 . 1 1 42 42 PRO CB C 42 31.440 31.440 31.076 0.364 18808 3536 1 9 . 1 1 43 43 GLY N N 43 107.143 107.143 112.378 -5.235 18808 3537 1 9 . 1 1 43 43 GLY CA C 43 45.443 45.443 44.754 0.689 18808 3538 1 9 . 1 1 43 43 GLY H H 43 8.405 8.405 8.547 -0.142 18808 3539 1 9 . 1 1 44 44 LEU N N 44 120.813 120.813 120.904 -0.091 18808 3540 1 9 . 1 1 44 44 LEU CA C 44 54.142 54.142 54.014 0.128 18808 3541 1 9 . 1 1 44 44 LEU H H 44 8.148 8.148 7.867 0.281 18808 3542 1 9 . 1 1 45 45 THR N N 45 113.080 113.080 112.852 0.228 18808 3543 1 9 . 1 1 45 45 THR CA C 45 60.668 60.668 60.669 -0.001 18808 3544 1 9 . 1 1 45 45 THR CB C 45 70.540 70.540 70.898 -0.358 18808 3545 1 9 . 1 1 45 45 THR H H 45 8.571 8.571 8.371 0.200 18808 3546 1 9 . 1 1 46 46 ARG N N 46 120.920 120.920 123.795 -2.875 18808 3547 1 9 . 1 1 46 46 ARG CA C 46 59.422 59.422 58.822 0.600 18808 3548 1 9 . 1 1 46 46 ARG CB C 46 28.617 28.617 29.216 -0.599 18808 3549 1 9 . 1 1 46 46 ARG H H 46 8.814 8.814 8.901 -0.087 18808 3550 1 9 . 1 1 47 47 GLU N N 47 119.131 119.131 119.057 0.074 18808 3551 1 9 . 1 1 47 47 GLU CA C 47 59.797 59.797 59.659 0.138 18808 3552 1 9 . 1 1 47 47 GLU CB C 47 28.200 28.200 28.663 -0.463 18808 3553 1 9 . 1 1 47 47 GLU H H 47 8.836 8.836 8.679 0.157 18808 3554 1 9 . 1 1 48 48 GLN N N 48 119.702 119.702 119.718 -0.016 18808 3555 1 9 . 1 1 48 48 GLN CA C 48 57.803 57.803 58.646 -0.843 18808 3556 1 9 . 1 1 48 48 GLN CB C 48 28.555 28.555 28.317 0.238 18808 3557 1 9 . 1 1 48 48 GLN H H 48 7.758 7.758 7.792 -0.034 18808 3558 1 9 . 1 1 49 49 GLU N N 49 122.252 122.252 120.232 2.020 18808 3559 1 9 . 1 1 49 49 GLU CA C 49 59.663 59.663 59.615 0.048 18808 3560 1 9 . 1 1 49 49 GLU CB C 49 28.792 28.792 29.426 -0.634 18808 3561 1 9 . 1 1 49 49 GLU H H 49 8.885 8.885 8.573 0.312 18808 3562 1 9 . 1 1 50 50 ARG N N 50 118.823 118.823 118.879 -0.056 18808 3563 1 9 . 1 1 50 50 ARG CA C 50 57.785 57.785 58.175 -0.390 18808 3564 1 9 . 1 1 50 50 ARG CB C 50 27.889 27.889 29.432 -1.543 18808 3565 1 9 . 1 1 50 50 ARG H H 50 7.925 7.925 7.634 0.291 18808 3566 1 9 . 1 1 51 51 ALA N N 51 119.205 119.205 123.056 -3.851 18808 3567 1 9 . 1 1 51 51 ALA CA C 51 54.557 54.557 55.031 -0.474 18808 3568 1 9 . 1 1 51 51 ALA CB C 51 17.465 17.465 18.237 -0.772 18808 3569 1 9 . 1 1 51 51 ALA H H 51 7.978 7.978 8.037 -0.059 18808 3570 1 9 . 1 1 52 52 TYR N N 52 119.802 119.802 120.170 -0.368 18808 3571 1 9 . 1 1 52 52 TYR CA C 52 61.401 61.401 60.814 0.587 18808 3572 1 9 . 1 1 52 52 TYR H H 52 7.976 7.976 8.209 -0.233 18808 3573 1 9 . 1 1 53 53 ILE N N 53 118.566 118.566 119.474 -0.908 18808 3574 1 9 . 1 1 53 53 ILE CA C 53 63.981 63.981 63.899 0.082 18808 3575 1 9 . 1 1 53 53 ILE CB C 53 37.334 37.334 38.373 -1.039 18808 3576 1 9 . 1 1 53 53 ILE H H 53 7.934 7.934 7.776 0.158 18808 3577 1 9 . 1 1 54 54 VAL N N 54 121.327 121.327 117.971 3.356 18808 3578 1 9 . 1 1 54 54 VAL HA H 54 3.531 3.531 3.633 -0.102 18808 3579 1 9 . 1 1 54 54 VAL CA C 54 66.363 66.363 65.720 0.643 18808 3580 1 9 . 1 1 54 54 VAL H H 54 8.563 8.563 8.563 -0.000 18808 3581 1 9 . 1 1 55 55 GLN N N 55 119.475 119.475 120.927 -1.452 18808 3582 1 9 . 1 1 55 55 GLN CA C 55 59.584 59.584 58.964 0.620 18808 3583 1 9 . 1 1 55 55 GLN CB C 55 27.312 27.312 28.914 -1.602 18808 3584 1 9 . 1 1 55 55 GLN H H 55 8.207 8.207 8.104 0.103 18808 3585 1 9 . 1 1 56 56 LEU N N 56 120.914 120.914 117.778 3.136 18808 3586 1 9 . 1 1 56 56 LEU H H 56 7.780 7.780 7.383 0.397 18808 3587 1 9 . 1 1 57 57 GLN N N 57 122.652 122.652 119.336 3.316 18808 3588 1 9 . 1 1 57 57 GLN CA C 57 58.722 58.722 58.404 0.318 18808 3589 1 9 . 1 1 57 57 GLN H H 57 8.363 8.363 7.420 0.943 18808 3590 1 9 . 1 1 58 58 ILE N N 58 120.955 120.955 121.080 -0.125 18808 3591 1 9 . 1 1 58 58 ILE CA C 58 66.631 66.631 66.116 0.515 18808 3592 1 9 . 1 1 58 58 ILE H H 58 8.876 8.876 8.631 0.245 18808 3593 1 9 . 1 1 59 59 GLU N N 59 122.355 122.355 119.015 3.340 18808 3594 1 9 . 1 1 59 59 GLU CA C 59 59.308 59.308 59.479 -0.171 18808 3595 1 9 . 1 1 59 59 GLU CB C 59 29.193 29.193 29.017 0.176 18808 3596 1 9 . 1 1 59 59 GLU H H 59 8.365 8.365 8.410 -0.045 18808 3597 1 9 . 1 1 61 61 LEU CA C 61 57.885 57.885 57.826 0.059 18808 3598 1 9 . 1 1 62 62 THR N N 62 115.812 115.812 114.560 1.252 18808 3599 1 9 . 1 1 62 62 THR HA H 62 3.804 3.804 3.983 -0.179 18808 3600 1 9 . 1 1 62 62 THR CA C 62 67.067 67.067 66.671 0.396 18808 3601 1 9 . 1 1 62 62 THR CB C 62 68.378 68.378 68.280 0.098 18808 3602 1 9 . 1 1 62 62 THR H H 62 8.417 8.417 8.301 0.116 18808 3603 1 9 . 1 1 65 65 LEU N N 65 118.411 118.411 115.371 3.040 18808 3604 1 9 . 1 1 65 65 LEU CA C 65 56.765 56.765 57.375 -0.610 18808 3605 1 9 . 1 1 65 65 LEU H H 65 8.196 8.196 7.675 0.521 18808 3606 1 9 . 1 1 66 66 ARG N N 66 119.024 119.024 118.252 0.772 18808 3607 1 9 . 1 1 66 66 ARG CA C 66 57.751 57.751 58.475 -0.724 18808 3608 1 9 . 1 1 66 66 ARG CB C 66 29.682 29.682 30.534 -0.852 18808 3609 1 9 . 1 1 66 66 ARG H H 66 8.199 8.199 8.210 -0.011 18808 3610 1 9 . 1 1 67 67 THR N N 67 109.711 109.711 109.649 0.062 18808 3611 1 9 . 1 1 67 67 THR HA H 67 4.357 4.357 4.443 -0.086 18808 3612 1 9 . 1 1 67 67 THR CA C 67 62.199 62.199 61.307 0.892 18808 3613 1 9 . 1 1 67 67 THR CB C 67 70.266 70.266 69.968 0.298 18808 3614 1 9 . 1 1 67 67 THR H H 67 7.993 7.993 8.081 -0.088 18808 3615 1 9 . 1 1 68 68 GLY N N 68 110.782 110.782 110.659 0.123 18808 3616 1 9 . 1 1 68 68 GLY CA C 68 45.519 45.519 45.071 0.448 18808 3617 1 9 . 1 1 68 68 GLY H H 68 8.065 8.065 7.902 0.163 18808 3618 1 9 . 1 1 69 69 ASP N N 69 121.620 121.620 121.174 0.446 18808 3619 1 9 . 1 1 69 69 ASP CA C 69 53.196 53.196 53.637 -0.441 18808 3620 1 9 . 1 1 69 69 ASP CB C 69 39.719 39.719 40.700 -0.980 18808 3621 1 9 . 1 1 69 69 ASP H H 69 8.096 8.096 7.853 0.243 18808 3622 1 9 . 1 1 70 70 LEU N N 70 120.862 120.862 124.770 -3.908 18808 3623 1 9 . 1 1 70 70 LEU CA C 70 54.820 54.820 53.786 1.034 18808 3624 1 9 . 1 1 70 70 LEU H H 70 8.023 8.023 8.015 0.008 18808 3625 1 9 . 1 1 71 71 GLY N N 71 108.143 108.143 109.404 -1.261 18808 3626 1 9 . 1 1 71 71 GLY CA C 71 45.026 45.026 44.947 0.079 18808 3627 1 9 . 1 1 71 71 GLY H H 71 8.433 8.433 8.090 0.343 18808 3628 1 9 . 1 1 72 72 ILE N N 72 121.288 121.288 119.373 1.915 18808 3629 1 9 . 1 1 72 72 ILE CA C 72 58.132 58.132 57.486 0.646 18808 3630 1 9 . 1 1 72 72 ILE CB C 72 37.749 37.749 38.762 -1.013 18808 3631 1 9 . 1 1 72 72 ILE H H 72 7.863 7.863 7.324 0.539 18808 3632 1 9 . 1 1 73 73 PRO HA H 73 4.665 4.665 4.724 -0.059 18808 3633 1 9 . 1 1 73 73 PRO CA C 73 61.094 61.094 61.646 -0.552 18808 3634 1 9 . 1 1 74 74 PRO CA C 74 62.599 62.599 63.373 -0.774 18808 3635 1 9 . 1 1 74 74 PRO CB C 74 31.140 31.140 32.040 -0.900 18808 3636 1 9 . 1 1 75 75 ASN N N 75 119.457 119.457 121.483 -2.026 18808 3637 1 9 . 1 1 75 75 ASN HA H 75 4.972 4.972 5.067 -0.095 18808 3638 1 9 . 1 1 75 75 ASN CA C 75 50.708 50.708 51.735 -1.027 18808 3639 1 9 . 1 1 75 75 ASN CB C 75 38.220 38.220 38.434 -0.214 18808 3640 1 9 . 1 1 75 75 ASN H H 75 8.476 8.476 8.666 -0.190 18808 3641 1 9 . 1 1 76 76 PRO HA H 76 4.331 4.331 4.665 -0.334 18808 3642 1 9 . 1 1 76 76 PRO CA C 76 63.643 63.643 62.544 1.099 18808 3643 1 9 . 1 1 76 76 PRO CB C 76 31.191 31.191 32.267 -1.076 18808 3644 1 9 . 1 1 77 77 GLU N N 77 118.567 118.567 118.390 0.177 18808 3645 1 9 . 1 1 77 77 GLU HA H 77 4.223 4.223 4.075 0.148 18808 3646 1 9 . 1 1 77 77 GLU CA C 77 56.457 56.457 56.745 -0.287 18808 3647 1 9 . 1 1 77 77 GLU CB C 77 28.811 28.811 29.349 -0.538 18808 3648 1 9 . 1 1 77 77 GLU H H 77 8.491 8.491 8.343 0.148 18808 3649 1 9 . 1 1 78 78 ASP N N 78 120.557 120.557 120.157 0.400 18808 3650 1 9 . 1 1 78 78 ASP CA C 78 54.073 54.073 53.496 0.577 18808 3651 1 9 . 1 1 78 78 ASP CB C 78 40.455 40.455 42.302 -1.847 18808 3652 1 9 . 1 1 78 78 ASP H H 78 8.015 8.015 8.339 -0.324 18808 3653 1 9 . 1 1 79 79 ARG N N 79 121.090 121.090 123.612 -2.522 18808 3654 1 9 . 1 1 79 79 ARG CA C 79 55.406 55.406 57.378 -1.972 18808 3655 1 9 . 1 1 79 79 ARG CB C 79 29.636 29.636 30.644 -1.008 18808 3656 1 9 . 1 1 79 79 ARG H H 79 8.120 8.120 8.812 -0.692 18808 3657 1 9 . 1 1 80 80 SER N N 80 118.342 118.342 116.816 1.526 18808 3658 1 9 . 1 1 80 80 SER HA H 80 4.704 4.704 4.793 -0.089 18808 3659 1 9 . 1 1 80 80 SER CA C 80 56.232 56.232 56.067 0.165 18808 3660 1 9 . 1 1 80 80 SER CB C 80 62.761 62.761 63.677 -0.916 18808 3661 1 9 . 1 1 80 80 SER H H 80 8.337 8.337 8.267 0.070 18808 3662 1 9 . 1 1 81 81 PRO CA C 81 62.870 62.870 62.624 0.245 18808 3663 1 9 . 1 1 81 81 PRO CB C 81 31.134 31.134 32.557 -1.423 18808 3664 1 9 . 1 1 82 82 SER N N 82 117.424 117.424 119.192 -1.768 18808 3665 1 9 . 1 1 82 82 SER HA H 82 4.726 4.726 4.752 -0.026 18808 3666 1 9 . 1 1 82 82 SER CA C 82 55.808 55.808 56.221 -0.413 18808 3667 1 9 . 1 1 82 82 SER CB C 82 62.903 62.903 63.697 -0.794 18808 3668 1 9 . 1 1 82 82 SER H H 82 8.358 8.358 8.242 0.116 18808 3669 1 9 . 1 1 83 83 PRO CA C 83 62.778 62.778 63.271 -0.493 18808 3670 1 9 . 1 1 84 84 GLU N N 84 122.184 122.184 127.168 -4.984 18808 3671 1 9 . 1 1 84 84 GLU HA H 84 4.539 4.539 4.614 -0.075 18808 3672 1 9 . 1 1 84 84 GLU CA C 84 53.934 53.934 53.292 0.641 18808 3673 1 9 . 1 1 84 84 GLU CB C 84 28.861 28.861 29.435 -0.574 18808 3674 1 9 . 1 1 84 84 GLU H H 84 8.295 8.295 8.278 0.017 18808 3675 1 9 . 1 1 85 85 PRO CA C 85 62.675 62.675 62.817 -0.142 18808 3676 1 9 . 1 1 85 85 PRO CB C 85 31.123 31.123 31.965 -0.842 18808 3677 1 9 . 1 1 86 86 ILE N N 86 120.522 120.522 118.141 2.381 18808 3678 1 9 . 1 1 86 86 ILE CA C 86 60.553 60.553 61.369 -0.816 18808 3679 1 9 . 1 1 86 86 ILE CB C 86 38.305 38.305 38.427 -0.122 18808 3680 1 9 . 1 1 86 86 ILE H H 86 8.052 8.052 7.764 0.288 18808 3681 1 9 . 1 1 87 87 TYR N N 87 123.178 123.178 125.419 -2.241 18808 3682 1 9 . 1 1 87 87 TYR HA H 87 4.905 4.905 4.660 0.245 18808 3683 1 9 . 1 1 87 87 TYR CA C 87 56.744 56.744 57.795 -1.051 18808 3684 1 9 . 1 1 87 87 TYR CB C 87 39.324 39.324 39.026 0.298 18808 3685 1 9 . 1 1 87 87 TYR H H 87 8.272 8.272 8.213 0.059 18808 3686 1 9 . 1 1 88 88 ASN N N 88 120.123 120.123 123.637 -3.514 18808 3687 1 9 . 1 1 88 88 ASN HA H 88 4.801 4.801 4.906 -0.105 18808 3688 1 9 . 1 1 88 88 ASN CA C 88 51.734 51.734 52.692 -0.958 18808 3689 1 9 . 1 1 88 88 ASN CB C 88 38.209 38.209 39.451 -1.242 18808 3690 1 9 . 1 1 88 88 ASN H H 88 8.466 8.466 8.624 -0.158 18808 3691 1 9 . 1 1 89 89 SER N N 89 115.872 115.872 115.109 0.763 18808 3692 1 9 . 1 1 89 89 SER HA H 89 4.276 4.276 4.283 -0.007 18808 3693 1 9 . 1 1 89 89 SER CA C 89 59.589 59.589 60.491 -0.902 18808 3694 1 9 . 1 1 89 89 SER CB C 89 62.695 62.695 63.121 -0.426 18808 3695 1 9 . 1 1 89 89 SER H H 89 8.460 8.460 8.655 -0.195 18808 3696 1 9 . 1 1 90 90 GLU CA C 90 56.320 56.320 56.492 -0.173 18808 3697 1 9 . 1 1 90 90 GLU CB C 90 29.074 29.074 29.981 -0.907 18808 3698 1 9 . 1 1 91 91 GLY N N 91 108.520 108.520 108.830 -0.310 18808 3699 1 9 . 1 1 91 91 GLY CA C 91 45.175 45.175 44.841 0.334 18808 3700 1 9 . 1 1 91 91 GLY H H 91 8.245 8.245 7.804 0.441 18808 3701 1 9 . 1 1 92 92 LYS N N 92 120.880 120.880 122.149 -1.269 18808 3702 1 9 . 1 1 92 92 LYS CA C 92 55.393 55.393 55.673 -0.280 18808 3703 1 9 . 1 1 92 92 LYS CB C 92 32.047 32.047 32.477 -0.430 18808 3704 1 9 . 1 1 92 92 LYS H H 92 8.022 8.022 8.565 -0.543 18808 3705 1 9 . 1 1 93 93 ARG N N 93 123.484 123.484 123.764 -0.280 18808 3706 1 9 . 1 1 93 93 ARG HA H 93 4.230 4.230 4.414 -0.184 18808 3707 1 9 . 1 1 93 93 ARG CA C 93 55.894 55.894 56.603 -0.709 18808 3708 1 9 . 1 1 93 93 ARG CB C 93 30.480 30.480 30.893 -0.413 18808 3709 1 9 . 1 1 93 93 ARG H H 93 8.476 8.476 8.394 0.082 18808 3710 1 9 . 1 1 94 94 LEU N N 94 124.336 124.336 119.552 4.784 18808 3711 1 9 . 1 1 94 94 LEU HA H 94 4.323 4.323 4.457 -0.134 18808 3712 1 9 . 1 1 94 94 LEU CA C 94 54.606 54.606 54.748 -0.142 18808 3713 1 9 . 1 1 94 94 LEU H H 94 8.391 8.391 7.705 0.686 18808 3714 1 9 . 1 1 95 95 ASN N N 95 119.662 119.662 121.388 -1.726 18808 3715 1 9 . 1 1 95 95 ASN HA H 95 4.793 4.793 4.915 -0.122 18808 3716 1 9 . 1 1 95 95 ASN CA C 95 52.490 52.490 53.933 -1.443 18808 3717 1 9 . 1 1 95 95 ASN CB C 95 38.070 38.070 40.215 -2.145 18808 3718 1 9 . 1 1 95 95 ASN H H 95 8.533 8.533 8.737 -0.204 18808 3719 1 9 . 1 1 96 96 THR N N 96 114.180 114.180 113.383 0.797 18808 3720 1 9 . 1 1 96 96 THR CA C 96 62.469 62.469 64.271 -1.802 18808 3721 1 9 . 1 1 96 96 THR H H 96 8.128 8.128 8.222 -0.094 18808 3722 1 9 . 1 1 97 97 ARG N N 97 122.577 122.577 122.283 0.294 18808 3723 1 9 . 1 1 97 97 ARG CA C 97 58.053 58.053 59.880 -1.827 18808 3724 1 9 . 1 1 97 97 ARG H H 97 8.626 8.626 8.571 0.055 18808 3725 1 9 . 1 1 98 98 GLU N N 98 121.594 121.594 120.656 0.938 18808 3726 1 9 . 1 1 98 98 GLU CA C 98 58.320 58.320 59.662 -1.342 18808 3727 1 9 . 1 1 98 98 GLU H H 98 8.607 8.607 8.821 -0.214 18808 3728 1 9 . 1 1 100 100 ARG CA C 100 58.113 58.113 60.121 -2.008 18808 3729 1 9 . 1 1 101 101 THR N N 101 115.806 115.806 116.586 -0.780 18808 3730 1 9 . 1 1 101 101 THR HA H 101 3.987 3.987 4.018 -0.031 18808 3731 1 9 . 1 1 101 101 THR CA C 101 64.627 64.627 67.088 -2.461 18808 3732 1 9 . 1 1 101 101 THR H H 101 8.091 8.091 7.992 0.099 18808 3733 1 9 . 1 1 102 102 ARG N N 102 122.017 122.017 120.601 1.416 18808 3734 1 9 . 1 1 102 102 ARG CA C 102 60.055 60.055 59.782 0.273 18808 3735 1 9 . 1 1 102 102 ARG H H 102 8.430 8.430 8.452 -0.022 18808 3736 1 9 . 1 1 103 103 LYS N N 103 117.689 117.689 119.786 -2.097 18808 3737 1 9 . 1 1 103 103 LYS CA C 103 58.573 58.573 58.225 0.348 18808 3738 1 9 . 1 1 103 103 LYS H H 103 7.975 7.975 8.271 -0.296 18808 3739 1 9 . 1 1 104 104 LYS N N 104 119.765 119.765 119.840 -0.075 18808 3740 1 9 . 1 1 104 104 LYS CA C 104 58.500 58.500 58.699 -0.199 18808 3741 1 9 . 1 1 104 104 LYS CB C 104 31.083 31.083 31.780 -0.697 18808 3742 1 9 . 1 1 104 104 LYS H H 104 7.674 7.674 7.571 0.103 18808 3743 1 9 . 1 1 105 105 LEU N N 105 120.812 120.812 118.962 1.850 18808 3744 1 9 . 1 1 105 105 LEU CA C 105 57.813 57.813 58.126 -0.313 18808 3745 1 9 . 1 1 105 105 LEU H H 105 8.120 8.120 7.914 0.206 18808 3746 1 9 . 1 1 106 106 GLU N N 106 118.877 118.877 118.901 -0.024 18808 3747 1 9 . 1 1 106 106 GLU CA C 106 59.150 59.150 59.761 -0.611 18808 3748 1 9 . 1 1 106 106 GLU CB C 106 29.012 29.012 29.221 -0.209 18808 3749 1 9 . 1 1 106 106 GLU H H 106 8.707 8.707 8.023 0.684 18808 3750 1 9 . 1 1 107 107 GLU N N 107 122.176 122.176 118.963 3.213 18808 3751 1 9 . 1 1 107 107 GLU H H 107 8.357 8.357 8.237 0.120 18808 3752 1 9 . 1 1 108 108 GLU N N 108 121.565 121.565 119.713 1.852 18808 3753 1 9 . 1 1 108 108 GLU H H 108 8.322 8.322 8.041 0.281 18808 3754 1 9 . 1 1 109 109 ARG N N 109 118.431 118.431 119.920 -1.489 18808 3755 1 9 . 1 1 109 109 ARG H H 109 8.613 8.613 8.247 0.366 18808 3756 1 9 . 1 1 110 110 HIS N N 110 119.577 119.577 118.450 1.127 18808 3757 1 9 . 1 1 110 110 HIS CA C 110 60.031 60.031 59.241 0.790 18808 3758 1 9 . 1 1 110 110 HIS H H 110 8.541 8.541 8.645 -0.103 18808 3759 1 9 . 1 1 111 111 ASN N N 111 119.551 119.551 118.480 1.071 18808 3760 1 9 . 1 1 111 111 ASN CB C 111 36.981 36.981 38.330 -1.349 18808 3761 1 9 . 1 1 111 111 ASN H H 111 8.401 8.401 8.204 0.197 18808 3762 1 9 . 1 1 112 112 LEU N N 112 121.995 121.995 119.964 2.031 18808 3763 1 9 . 1 1 112 112 LEU CA C 112 57.434 57.434 57.709 -0.276 18808 3764 1 9 . 1 1 112 112 LEU H H 112 8.088 8.088 7.608 0.480 18808 3765 1 9 . 1 1 113 113 ILE N N 113 121.510 121.510 120.848 0.662 18808 3766 1 9 . 1 1 113 113 ILE CA C 113 65.489 65.489 64.737 0.752 18808 3767 1 9 . 1 1 113 113 ILE H H 113 8.527 8.527 8.608 -0.081 18808 3768 1 9 . 1 1 114 114 THR N N 114 115.127 115.127 115.902 -0.775 18808 3769 1 9 . 1 1 114 114 THR HA H 114 3.748 3.748 4.002 -0.254 18808 3770 1 9 . 1 1 114 114 THR CA C 114 66.173 66.173 67.702 -1.529 18808 3771 1 9 . 1 1 114 114 THR CB C 114 68.210 68.210 68.232 -0.022 18808 3772 1 9 . 1 1 114 114 THR H H 114 8.102 8.102 8.454 -0.352 18808 3773 1 9 . 1 1 115 115 GLU N N 115 123.316 123.316 122.103 1.213 18808 3774 1 9 . 1 1 115 115 GLU CA C 115 58.663 58.663 59.224 -0.562 18808 3775 1 9 . 1 1 115 115 GLU CB C 115 28.390 28.390 29.559 -1.169 18808 3776 1 9 . 1 1 115 115 GLU H H 115 7.473 7.473 7.532 -0.059 18808 3777 1 9 . 1 1 116 116 MET N N 116 119.934 119.934 120.161 -0.227 18808 3778 1 9 . 1 1 116 116 MET CA C 116 56.561 56.561 59.247 -2.686 18808 3779 1 9 . 1 1 116 116 MET H H 116 8.442 8.442 8.458 -0.016 18808 3780 1 9 . 1 1 117 117 VAL N N 117 117.688 117.688 119.830 -2.142 18808 3781 1 9 . 1 1 117 117 VAL HA H 117 3.946 3.946 4.100 -0.154 18808 3782 1 9 . 1 1 117 117 VAL CA C 117 61.989 61.989 66.174 -4.185 18808 3783 1 9 . 1 1 117 117 VAL H H 117 8.332 8.332 8.623 -0.291 18808 3784 1 9 . 1 1 118 118 ALA N N 118 120.568 120.568 121.909 -1.341 18808 3785 1 9 . 1 1 118 118 ALA HA H 118 4.173 4.173 4.139 0.034 18808 3786 1 9 . 1 1 118 118 ALA CA C 118 53.531 53.531 54.903 -1.372 18808 3787 1 9 . 1 1 118 118 ALA CB C 118 17.606 17.606 18.690 -1.084 18808 3788 1 9 . 1 1 118 118 ALA H H 118 7.143 7.143 7.525 -0.382 18808 3789 1 9 . 1 1 119 119 LEU N N 119 118.032 118.032 118.199 -0.167 18808 3790 1 9 . 1 1 119 119 LEU CA C 119 56.245 56.245 56.526 -0.281 18808 3791 1 9 . 1 1 119 119 LEU H H 119 7.585 7.585 8.088 -0.503 18808 3792 1 9 . 1 1 120 120 ASN N N 120 115.407 115.407 115.595 -0.188 18808 3793 1 9 . 1 1 120 120 ASN HA H 120 5.065 5.065 5.140 -0.075 18808 3794 1 9 . 1 1 120 120 ASN CA C 120 49.613 49.613 50.063 -0.450 18808 3795 1 9 . 1 1 120 120 ASN CB C 120 38.651 38.651 39.910 -1.259 18808 3796 1 9 . 1 1 120 120 ASN H H 120 8.512 8.512 8.141 0.371 18808 3797 1 9 . 1 1 121 121 PRO HA H 121 4.711 4.711 4.575 0.136 18808 3798 1 9 . 1 1 121 121 PRO CA C 121 63.796 63.796 64.607 -0.811 18808 3799 1 9 . 1 1 121 121 PRO CB C 121 31.383 31.383 32.352 -0.969 18808 3800 1 9 . 1 1 122 122 ASP N N 122 115.768 115.768 117.514 -1.746 18808 3801 1 9 . 1 1 122 122 ASP CA C 122 53.863 53.863 53.734 0.129 18808 3802 1 9 . 1 1 122 122 ASP CB C 122 40.647 40.647 41.568 -0.921 18808 3803 1 9 . 1 1 122 122 ASP H H 122 7.676 7.676 8.005 -0.329 18808 3804 1 9 . 1 1 123 123 PHE N N 123 122.733 122.733 121.668 1.065 18808 3805 1 9 . 1 1 123 123 PHE HA H 123 4.181 4.181 4.391 -0.210 18808 3806 1 9 . 1 1 123 123 PHE CA C 123 58.501 58.501 58.764 -0.263 18808 3807 1 9 . 1 1 123 123 PHE CB C 123 38.660 38.660 39.642 -0.982 18808 3808 1 9 . 1 1 123 123 PHE H H 123 7.989 7.989 7.448 0.541 18808 3809 1 9 . 1 1 124 124 LYS N N 124 129.392 129.392 128.617 0.775 18808 3810 1 9 . 1 1 124 124 LYS HA H 124 4.592 4.592 4.384 0.208 18808 3811 1 9 . 1 1 124 124 LYS CA C 124 51.210 51.210 51.976 -0.766 18808 3812 1 9 . 1 1 124 124 LYS CB C 124 31.495 31.495 31.903 -0.408 18808 3813 1 9 . 1 1 124 124 LYS H H 124 7.686 7.686 8.308 -0.622 18808 3814 1 9 . 1 1 125 125 PRO HA H 125 4.139 4.139 4.128 0.011 18808 3815 1 9 . 1 1 125 125 PRO CA C 125 60.556 60.556 61.214 -0.658 18808 3816 1 9 . 1 1 126 126 PRO HA H 126 4.771 4.771 4.338 0.433 18808 3817 1 9 . 1 1 126 126 PRO CA C 126 62.246 62.246 62.980 -0.734 18808 3818 1 9 . 1 1 126 126 PRO CB C 126 31.352 31.352 32.183 -0.831 18808 3819 1 9 . 1 1 127 127 ALA N N 127 123.830 123.830 123.404 0.426 18808 3820 1 9 . 1 1 127 127 ALA HA H 127 4.105 4.105 4.114 -0.009 18808 3821 1 9 . 1 1 127 127 ALA CA C 127 54.149 54.149 54.324 -0.175 18808 3822 1 9 . 1 1 127 127 ALA CB C 127 18.076 18.076 18.878 -0.802 18808 3823 1 9 . 1 1 127 127 ALA H H 127 8.691 8.691 8.507 0.184 18808 3824 1 9 . 1 1 128 128 ASP N N 128 112.954 112.954 116.176 -3.222 18808 3825 1 9 . 1 1 128 128 ASP CA C 128 53.203 53.203 54.367 -1.164 18808 3826 1 9 . 1 1 128 128 ASP CB C 128 39.728 39.728 40.893 -1.165 18808 3827 1 9 . 1 1 128 128 ASP H H 128 8.403 8.403 8.227 0.176 18808 3828 1 9 . 1 1 129 129 TYR N N 129 121.200 121.200 121.947 -0.747 18808 3829 1 9 . 1 1 129 129 TYR CA C 129 57.918 57.918 59.300 -1.382 18808 3830 1 9 . 1 1 129 129 TYR CB C 129 38.075 38.075 38.774 -0.699 18808 3831 1 9 . 1 1 129 129 TYR H H 129 7.650 7.650 7.372 0.278 18808 3832 1 9 . 1 1 130 130 LYS N N 130 129.878 129.878 129.532 0.346 18808 3833 1 9 . 1 1 130 130 LYS HA H 130 4.361 4.361 4.363 -0.002 18808 3834 1 9 . 1 1 130 130 LYS CA C 130 52.063 52.063 52.836 -0.773 18808 3835 1 9 . 1 1 130 130 LYS CB C 130 32.565 32.565 32.579 -0.014 18808 3836 1 9 . 1 1 130 130 LYS H H 130 7.784 7.784 8.029 -0.245 18808 3837 1 9 . 1 1 132 132 PRO CA C 132 62.394 62.394 62.750 -0.356 18808 3838 1 9 . 1 1 132 132 PRO CB C 132 29.945 29.945 32.344 -2.400 18808 3839 1 9 . 1 1 133 133 ALA N N 133 124.238 124.238 126.995 -2.757 18808 3840 1 9 . 1 1 133 133 ALA HA H 133 4.293 4.293 4.582 -0.289 18808 3841 1 9 . 1 1 133 133 ALA CA C 133 52.004 52.004 51.976 0.028 18808 3842 1 9 . 1 1 133 133 ALA CB C 133 18.521 18.521 20.305 -1.784 18808 3843 1 9 . 1 1 133 133 ALA H H 133 8.375 8.375 8.103 0.272 18808 3844 1 10 . 1 1 3 3 THR N N 3 118.281 118.281 114.795 3.486 18808 3845 1 10 . 1 1 3 3 THR HA H 3 4.220 4.220 4.413 -0.193 18808 3846 1 10 . 1 1 3 3 THR CA C 3 61.481 61.481 61.888 -0.407 18808 3847 1 10 . 1 1 3 3 THR CB C 3 69.427 69.427 70.089 -0.662 18808 3848 1 10 . 1 1 3 3 THR H H 3 8.283 8.283 8.535 -0.252 18808 3849 1 10 . 1 1 4 4 GLY N N 4 111.418 111.418 110.436 0.982 18808 3850 1 10 . 1 1 4 4 GLY CA C 4 44.811 44.811 45.139 -0.328 18808 3851 1 10 . 1 1 4 4 GLY H H 4 8.445 8.445 8.199 0.246 18808 3852 1 10 . 1 1 5 5 ALA N N 5 123.764 123.764 124.017 -0.253 18808 3853 1 10 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.356 -0.032 18808 3854 1 10 . 1 1 5 5 ALA CA C 5 52.237 52.237 52.290 -0.053 18808 3855 1 10 . 1 1 5 5 ALA CB C 5 18.688 18.688 19.928 -1.240 18808 3856 1 10 . 1 1 5 5 ALA H H 5 8.229 8.229 8.134 0.095 18808 3857 1 10 . 1 1 6 6 ASN N N 6 117.534 117.534 119.551 -2.017 18808 3858 1 10 . 1 1 6 6 ASN HA H 6 4.672 4.672 4.798 -0.126 18808 3859 1 10 . 1 1 6 6 ASN CA C 6 52.760 52.760 52.898 -0.138 18808 3860 1 10 . 1 1 6 6 ASN CB C 6 38.294 38.294 39.156 -0.862 18808 3861 1 10 . 1 1 6 6 ASN H H 6 8.426 8.426 8.318 0.108 18808 3862 1 10 . 1 1 7 7 ALA N N 7 124.230 124.230 129.054 -4.824 18808 3863 1 10 . 1 1 7 7 ALA HA H 7 4.375 4.375 4.736 -0.361 18808 3864 1 10 . 1 1 7 7 ALA CA C 7 52.033 52.033 51.369 0.664 18808 3865 1 10 . 1 1 7 7 ALA CB C 7 18.611 18.611 19.808 -1.196 18808 3866 1 10 . 1 1 7 7 ALA H H 7 8.171 8.171 8.311 -0.140 18808 3867 1 10 . 1 1 8 8 THR N N 8 116.291 116.291 117.320 -1.029 18808 3868 1 10 . 1 1 8 8 THR HA H 8 4.613 4.613 4.630 -0.017 18808 3869 1 10 . 1 1 8 8 THR CA C 8 59.445 59.445 59.962 -0.517 18808 3870 1 10 . 1 1 8 8 THR CB C 8 69.200 69.200 69.139 0.061 18808 3871 1 10 . 1 1 8 8 THR H H 8 8.211 8.211 8.217 -0.006 18808 3872 1 10 . 1 1 9 9 PRO CA C 9 62.885 62.885 62.665 0.220 18808 3873 1 10 . 1 1 9 9 PRO CB C 9 31.241 31.241 32.425 -1.184 18808 3874 1 10 . 1 1 10 10 LEU N N 10 121.874 121.874 122.151 -0.277 18808 3875 1 10 . 1 1 10 10 LEU HA H 10 4.257 4.257 4.584 -0.327 18808 3876 1 10 . 1 1 10 10 LEU CA C 10 54.751 54.751 54.856 -0.105 18808 3877 1 10 . 1 1 10 10 LEU H H 10 8.245 8.245 8.169 0.076 18808 3878 1 10 . 1 1 11 11 ASP N N 11 120.266 120.266 122.122 -1.856 18808 3879 1 10 . 1 1 11 11 ASP CA C 11 53.652 53.652 53.916 -0.264 18808 3880 1 10 . 1 1 11 11 ASP CB C 11 40.760 40.760 40.867 -0.107 18808 3881 1 10 . 1 1 11 11 ASP H H 11 8.091 8.091 8.340 -0.249 18808 3882 1 10 . 1 1 12 12 PHE N N 12 121.243 121.243 121.072 0.171 18808 3883 1 10 . 1 1 12 12 PHE CA C 12 55.502 55.502 55.206 0.296 18808 3884 1 10 . 1 1 12 12 PHE CB C 12 38.370 38.370 39.207 -0.837 18808 3885 1 10 . 1 1 12 12 PHE H H 12 8.058 8.058 7.575 0.483 18808 3886 1 10 . 1 1 13 13 PRO CA C 13 63.035 63.035 63.528 -0.493 18808 3887 1 10 . 1 1 13 13 PRO CB C 13 31.024 31.024 32.024 -1.000 18808 3888 1 10 . 1 1 14 14 SER N N 14 115.993 115.993 119.160 -3.167 18808 3889 1 10 . 1 1 14 14 SER CA C 14 58.010 58.010 57.080 0.930 18808 3890 1 10 . 1 1 14 14 SER CB C 14 63.227 63.227 64.202 -0.975 18808 3891 1 10 . 1 1 14 14 SER H H 14 8.301 8.301 8.301 0.000 18808 3892 1 10 . 1 1 15 15 LYS N N 15 123.610 123.610 120.815 2.795 18808 3893 1 10 . 1 1 15 15 LYS CA C 15 55.871 55.871 57.519 -1.648 18808 3894 1 10 . 1 1 15 15 LYS CB C 15 32.035 32.035 30.846 1.189 18808 3895 1 10 . 1 1 15 15 LYS H H 15 8.319 8.319 8.591 -0.272 18808 3896 1 10 . 1 1 18 18 LYS CB C 18 32.178 32.178 33.833 -1.655 18808 3897 1 10 . 1 1 19 19 ARG N N 19 121.722 121.722 121.878 -0.156 18808 3898 1 10 . 1 1 19 19 ARG CA C 19 55.272 55.272 55.492 -0.220 18808 3899 1 10 . 1 1 19 19 ARG CB C 19 30.231 30.231 31.682 -1.451 18808 3900 1 10 . 1 1 19 19 ARG H H 19 8.327 8.327 8.126 0.201 18808 3901 1 10 . 1 1 20 20 SER N N 20 116.915 116.915 120.199 -3.284 18808 3902 1 10 . 1 1 20 20 SER CA C 20 56.632 56.632 58.718 -2.086 18808 3903 1 10 . 1 1 20 20 SER CB C 20 63.767 63.767 63.780 -0.013 18808 3904 1 10 . 1 1 20 20 SER H H 20 8.455 8.455 8.604 -0.149 18808 3905 1 10 . 1 1 21 21 ARG N N 21 128.321 128.321 123.363 4.958 18808 3906 1 10 . 1 1 21 21 ARG CA C 21 56.363 56.363 56.241 0.122 18808 3907 1 10 . 1 1 21 21 ARG CB C 21 27.800 27.800 30.450 -2.650 18808 3908 1 10 . 1 1 21 21 ARG H H 21 10.106 10.106 8.800 1.306 18808 3909 1 10 . 1 1 22 22 TRP N N 22 122.075 122.075 120.802 1.273 18808 3910 1 10 . 1 1 22 22 TRP CA C 22 57.297 57.297 56.858 0.438 18808 3911 1 10 . 1 1 22 22 TRP CB C 22 28.494 28.494 28.648 -0.154 18808 3912 1 10 . 1 1 22 22 TRP H H 22 8.077 8.077 8.091 -0.014 18808 3913 1 10 . 1 1 23 23 ASN N N 23 122.985 122.985 120.591 2.394 18808 3914 1 10 . 1 1 23 23 ASN CA C 23 53.861 53.861 53.598 0.263 18808 3915 1 10 . 1 1 23 23 ASN CB C 23 38.205 38.205 39.509 -1.304 18808 3916 1 10 . 1 1 23 23 ASN H H 23 8.817 8.817 8.248 0.569 18808 3917 1 10 . 1 1 24 24 GLN N N 24 122.244 122.244 116.159 6.085 18808 3918 1 10 . 1 1 24 24 GLN CA C 24 55.338 55.338 55.958 -0.620 18808 3919 1 10 . 1 1 24 24 GLN CB C 24 28.621 28.621 29.606 -0.985 18808 3920 1 10 . 1 1 24 24 GLN H H 24 8.795 8.795 8.468 0.327 18808 3921 1 10 . 1 1 25 25 ASP N N 25 122.220 122.220 121.684 0.536 18808 3922 1 10 . 1 1 25 25 ASP CA C 25 53.994 53.994 53.882 0.112 18808 3923 1 10 . 1 1 25 25 ASP CB C 25 40.463 40.463 42.031 -1.568 18808 3924 1 10 . 1 1 25 25 ASP H H 25 8.612 8.612 8.034 0.578 18808 3925 1 10 . 1 1 26 26 THR N N 26 114.228 114.228 117.664 -3.436 18808 3926 1 10 . 1 1 26 26 THR CA C 26 61.524 61.524 62.645 -1.121 18808 3927 1 10 . 1 1 26 26 THR CB C 26 69.198 69.198 70.079 -0.881 18808 3928 1 10 . 1 1 26 26 THR H H 26 8.158 8.158 8.345 -0.187 18808 3929 1 10 . 1 1 27 27 MET N N 27 121.829 121.829 120.614 1.215 18808 3930 1 10 . 1 1 27 27 MET CA C 27 55.546 55.546 54.951 0.595 18808 3931 1 10 . 1 1 27 27 MET CB C 27 31.644 31.644 33.027 -1.383 18808 3932 1 10 . 1 1 27 27 MET H H 27 8.438 8.438 7.621 0.817 18808 3933 1 10 . 1 1 30 30 LYS CA C 30 55.776 55.776 56.401 -0.625 18808 3934 1 10 . 1 1 30 30 LYS CB C 30 32.174 32.174 33.372 -1.198 18808 3935 1 10 . 1 1 31 31 THR N N 31 116.696 116.696 115.126 1.570 18808 3936 1 10 . 1 1 31 31 THR CA C 31 61.760 61.760 61.582 0.178 18808 3937 1 10 . 1 1 31 31 THR CB C 31 69.262 69.262 70.868 -1.607 18808 3938 1 10 . 1 1 31 31 THR H H 31 8.214 8.214 7.725 0.489 18808 3939 1 10 . 1 1 32 32 VAL N N 32 124.581 124.581 124.438 0.143 18808 3940 1 10 . 1 1 32 32 VAL CA C 32 61.964 61.964 62.192 -0.228 18808 3941 1 10 . 1 1 32 32 VAL H H 32 8.262 8.262 8.242 0.020 18808 3942 1 10 . 1 1 33 33 ILE N N 33 128.095 128.095 128.605 -0.510 18808 3943 1 10 . 1 1 33 33 ILE CA C 33 57.573 57.573 57.503 0.070 18808 3944 1 10 . 1 1 33 33 ILE H H 33 8.606 8.606 8.158 0.448 18808 3945 1 10 . 1 1 34 34 PRO CA C 34 63.255 63.255 62.734 0.521 18808 3946 1 10 . 1 1 34 34 PRO CB C 34 31.086 31.086 31.571 -0.485 18808 3947 1 10 . 1 1 35 35 GLY N N 35 110.169 110.169 113.248 -3.079 18808 3948 1 10 . 1 1 35 35 GLY CA C 35 44.668 44.668 44.719 -0.051 18808 3949 1 10 . 1 1 35 35 GLY H H 35 8.468 8.468 8.470 -0.002 18808 3950 1 10 . 1 1 36 36 MET N N 36 121.185 121.185 122.042 -0.857 18808 3951 1 10 . 1 1 36 36 MET HA H 36 4.833 4.833 4.647 0.186 18808 3952 1 10 . 1 1 36 36 MET CA C 36 52.739 52.739 52.268 0.471 18808 3953 1 10 . 1 1 36 36 MET CB C 36 32.162 32.162 31.932 0.230 18808 3954 1 10 . 1 1 36 36 MET H H 36 8.235 8.235 8.342 -0.107 18808 3955 1 10 . 1 1 38 38 THR N N 38 113.487 113.487 113.322 0.165 18808 3956 1 10 . 1 1 38 38 THR H H 38 8.286 8.286 8.349 -0.063 18808 3957 1 10 . 1 1 39 39 VAL CA C 39 61.780 61.780 61.447 0.333 18808 3958 1 10 . 1 1 40 40 ILE N N 40 127.358 127.358 127.614 -0.256 18808 3959 1 10 . 1 1 40 40 ILE CB C 40 36.993 36.993 38.506 -1.513 18808 3960 1 10 . 1 1 40 40 ILE H H 40 8.254 8.254 8.301 -0.047 18808 3961 1 10 . 1 1 42 42 PRO CA C 42 62.198 62.198 63.837 -1.639 18808 3962 1 10 . 1 1 42 42 PRO CB C 42 31.440 31.440 32.018 -0.578 18808 3963 1 10 . 1 1 43 43 GLY N N 43 107.143 107.143 108.015 -0.872 18808 3964 1 10 . 1 1 43 43 GLY CA C 43 45.443 45.443 44.390 1.053 18808 3965 1 10 . 1 1 43 43 GLY H H 43 8.405 8.405 8.236 0.169 18808 3966 1 10 . 1 1 44 44 LEU N N 44 120.813 120.813 121.150 -0.337 18808 3967 1 10 . 1 1 44 44 LEU CA C 44 54.142 54.142 53.877 0.265 18808 3968 1 10 . 1 1 44 44 LEU H H 44 8.148 8.148 7.362 0.786 18808 3969 1 10 . 1 1 45 45 THR N N 45 113.080 113.080 112.255 0.825 18808 3970 1 10 . 1 1 45 45 THR CA C 45 60.668 60.668 60.538 0.130 18808 3971 1 10 . 1 1 45 45 THR CB C 45 70.540 70.540 71.201 -0.661 18808 3972 1 10 . 1 1 45 45 THR H H 45 8.571 8.571 8.327 0.244 18808 3973 1 10 . 1 1 46 46 ARG N N 46 120.920 120.920 123.912 -2.992 18808 3974 1 10 . 1 1 46 46 ARG CA C 46 59.422 59.422 58.785 0.637 18808 3975 1 10 . 1 1 46 46 ARG CB C 46 28.617 28.617 29.171 -0.554 18808 3976 1 10 . 1 1 46 46 ARG H H 46 8.814 8.814 8.948 -0.134 18808 3977 1 10 . 1 1 47 47 GLU N N 47 119.131 119.131 119.016 0.115 18808 3978 1 10 . 1 1 47 47 GLU CA C 47 59.797 59.797 59.661 0.136 18808 3979 1 10 . 1 1 47 47 GLU CB C 47 28.200 28.200 28.660 -0.460 18808 3980 1 10 . 1 1 47 47 GLU H H 47 8.836 8.836 8.680 0.156 18808 3981 1 10 . 1 1 48 48 GLN N N 48 119.702 119.702 119.740 -0.038 18808 3982 1 10 . 1 1 48 48 GLN CA C 48 57.803 57.803 58.630 -0.827 18808 3983 1 10 . 1 1 48 48 GLN CB C 48 28.555 28.555 28.305 0.250 18808 3984 1 10 . 1 1 48 48 GLN H H 48 7.758 7.758 7.798 -0.040 18808 3985 1 10 . 1 1 49 49 GLU N N 49 122.252 122.252 120.307 1.945 18808 3986 1 10 . 1 1 49 49 GLU CA C 49 59.663 59.663 59.648 0.015 18808 3987 1 10 . 1 1 49 49 GLU CB C 49 28.792 28.792 29.377 -0.585 18808 3988 1 10 . 1 1 49 49 GLU H H 49 8.885 8.885 8.643 0.242 18808 3989 1 10 . 1 1 50 50 ARG N N 50 118.823 118.823 118.852 -0.029 18808 3990 1 10 . 1 1 50 50 ARG CA C 50 57.785 57.785 58.205 -0.420 18808 3991 1 10 . 1 1 50 50 ARG CB C 50 27.889 27.889 29.421 -1.532 18808 3992 1 10 . 1 1 50 50 ARG H H 50 7.925 7.925 7.641 0.284 18808 3993 1 10 . 1 1 51 51 ALA N N 51 119.205 119.205 122.971 -3.766 18808 3994 1 10 . 1 1 51 51 ALA CA C 51 54.557 54.557 55.019 -0.462 18808 3995 1 10 . 1 1 51 51 ALA CB C 51 17.465 17.465 18.240 -0.775 18808 3996 1 10 . 1 1 51 51 ALA H H 51 7.978 7.978 8.023 -0.045 18808 3997 1 10 . 1 1 52 52 TYR N N 52 119.802 119.802 120.303 -0.501 18808 3998 1 10 . 1 1 52 52 TYR CA C 52 61.401 61.401 61.472 -0.071 18808 3999 1 10 . 1 1 52 52 TYR H H 52 7.976 7.976 8.029 -0.053 18808 4000 1 10 . 1 1 53 53 ILE N N 53 118.566 118.566 119.571 -1.005 18808 4001 1 10 . 1 1 53 53 ILE CA C 53 63.981 63.981 65.555 -1.574 18808 4002 1 10 . 1 1 53 53 ILE CB C 53 37.334 37.334 38.133 -0.799 18808 4003 1 10 . 1 1 53 53 ILE H H 53 7.934 7.934 8.230 -0.296 18808 4004 1 10 . 1 1 54 54 VAL N N 54 121.327 121.327 117.538 3.789 18808 4005 1 10 . 1 1 54 54 VAL HA H 54 3.531 3.531 3.929 -0.398 18808 4006 1 10 . 1 1 54 54 VAL CA C 54 66.363 66.363 65.237 1.125 18808 4007 1 10 . 1 1 54 54 VAL H H 54 8.563 8.563 8.556 0.007 18808 4008 1 10 . 1 1 55 55 GLN N N 55 119.475 119.475 120.871 -1.396 18808 4009 1 10 . 1 1 55 55 GLN CA C 55 59.584 59.584 59.150 0.434 18808 4010 1 10 . 1 1 55 55 GLN CB C 55 27.312 27.312 28.605 -1.292 18808 4011 1 10 . 1 1 55 55 GLN H H 55 8.207 8.207 8.065 0.142 18808 4012 1 10 . 1 1 56 56 LEU N N 56 120.914 120.914 118.764 2.150 18808 4013 1 10 . 1 1 56 56 LEU H H 56 7.780 7.780 7.353 0.427 18808 4014 1 10 . 1 1 57 57 GLN N N 57 122.652 122.652 119.620 3.032 18808 4015 1 10 . 1 1 57 57 GLN CA C 57 58.722 58.722 58.942 -0.220 18808 4016 1 10 . 1 1 57 57 GLN H H 57 8.363 8.363 7.566 0.797 18808 4017 1 10 . 1 1 58 58 ILE N N 58 120.955 120.955 120.818 0.137 18808 4018 1 10 . 1 1 58 58 ILE CA C 58 66.631 66.631 66.083 0.548 18808 4019 1 10 . 1 1 58 58 ILE H H 58 8.876 8.876 8.624 0.252 18808 4020 1 10 . 1 1 59 59 GLU N N 59 122.355 122.355 119.248 3.107 18808 4021 1 10 . 1 1 59 59 GLU CA C 59 59.308 59.308 59.614 -0.306 18808 4022 1 10 . 1 1 59 59 GLU CB C 59 29.193 29.193 28.997 0.196 18808 4023 1 10 . 1 1 59 59 GLU H H 59 8.365 8.365 8.463 -0.098 18808 4024 1 10 . 1 1 61 61 LEU CA C 61 57.885 57.885 58.263 -0.378 18808 4025 1 10 . 1 1 62 62 THR N N 62 115.812 115.812 115.159 0.653 18808 4026 1 10 . 1 1 62 62 THR HA H 62 3.804 3.804 3.881 -0.077 18808 4027 1 10 . 1 1 62 62 THR CA C 62 67.067 67.067 67.025 0.042 18808 4028 1 10 . 1 1 62 62 THR CB C 62 68.378 68.378 68.531 -0.153 18808 4029 1 10 . 1 1 62 62 THR H H 62 8.417 8.417 8.319 0.098 18808 4030 1 10 . 1 1 65 65 LEU N N 65 118.411 118.411 115.365 3.046 18808 4031 1 10 . 1 1 65 65 LEU CA C 65 56.765 56.765 57.370 -0.605 18808 4032 1 10 . 1 1 65 65 LEU H H 65 8.196 8.196 7.673 0.523 18808 4033 1 10 . 1 1 66 66 ARG N N 66 119.024 119.024 117.918 1.106 18808 4034 1 10 . 1 1 66 66 ARG CA C 66 57.751 57.751 58.457 -0.706 18808 4035 1 10 . 1 1 66 66 ARG CB C 66 29.682 29.682 30.564 -0.882 18808 4036 1 10 . 1 1 66 66 ARG H H 66 8.199 8.199 8.101 0.099 18808 4037 1 10 . 1 1 67 67 THR N N 67 109.711 109.711 109.613 0.098 18808 4038 1 10 . 1 1 67 67 THR HA H 67 4.357 4.357 4.453 -0.096 18808 4039 1 10 . 1 1 67 67 THR CA C 67 62.199 62.199 62.222 -0.023 18808 4040 1 10 . 1 1 67 67 THR CB C 67 70.266 70.266 70.311 -0.045 18808 4041 1 10 . 1 1 67 67 THR H H 67 7.993 7.993 8.106 -0.113 18808 4042 1 10 . 1 1 68 68 GLY N N 68 110.782 110.782 110.929 -0.147 18808 4043 1 10 . 1 1 68 68 GLY CA C 68 45.519 45.519 45.107 0.412 18808 4044 1 10 . 1 1 68 68 GLY H H 68 8.065 8.065 7.921 0.144 18808 4045 1 10 . 1 1 69 69 ASP N N 69 121.620 121.620 120.254 1.366 18808 4046 1 10 . 1 1 69 69 ASP CA C 69 53.196 53.196 53.828 -0.632 18808 4047 1 10 . 1 1 69 69 ASP CB C 69 39.719 39.719 40.953 -1.234 18808 4048 1 10 . 1 1 69 69 ASP H H 69 8.096 8.096 7.814 0.282 18808 4049 1 10 . 1 1 70 70 LEU N N 70 120.862 120.862 126.067 -5.205 18808 4050 1 10 . 1 1 70 70 LEU CA C 70 54.820 54.820 55.064 -0.244 18808 4051 1 10 . 1 1 70 70 LEU H H 70 8.023 8.023 7.718 0.305 18808 4052 1 10 . 1 1 71 71 GLY N N 71 108.143 108.143 107.526 0.617 18808 4053 1 10 . 1 1 71 71 GLY CA C 71 45.026 45.026 44.894 0.132 18808 4054 1 10 . 1 1 71 71 GLY H H 71 8.433 8.433 8.080 0.353 18808 4055 1 10 . 1 1 72 72 ILE N N 72 121.288 121.288 122.177 -0.889 18808 4056 1 10 . 1 1 72 72 ILE CA C 72 58.132 58.132 58.648 -0.516 18808 4057 1 10 . 1 1 72 72 ILE CB C 72 37.749 37.749 38.131 -0.382 18808 4058 1 10 . 1 1 72 72 ILE H H 72 7.863 7.863 7.998 -0.135 18808 4059 1 10 . 1 1 73 73 PRO HA H 73 4.665 4.665 4.507 0.158 18808 4060 1 10 . 1 1 73 73 PRO CA C 73 61.094 61.094 62.122 -1.028 18808 4061 1 10 . 1 1 74 74 PRO CA C 74 62.599 62.599 63.208 -0.609 18808 4062 1 10 . 1 1 74 74 PRO CB C 74 31.140 31.140 32.275 -1.135 18808 4063 1 10 . 1 1 75 75 ASN N N 75 119.457 119.457 121.215 -1.758 18808 4064 1 10 . 1 1 75 75 ASN HA H 75 4.972 4.972 4.958 0.014 18808 4065 1 10 . 1 1 75 75 ASN CA C 75 50.708 50.708 50.993 -0.285 18808 4066 1 10 . 1 1 75 75 ASN CB C 75 38.220 38.220 39.445 -1.225 18808 4067 1 10 . 1 1 75 75 ASN H H 75 8.476 8.476 8.437 0.039 18808 4068 1 10 . 1 1 76 76 PRO HA H 76 4.331 4.331 4.494 -0.163 18808 4069 1 10 . 1 1 76 76 PRO CA C 76 63.643 63.643 62.753 0.890 18808 4070 1 10 . 1 1 76 76 PRO CB C 76 31.191 31.191 31.803 -0.612 18808 4071 1 10 . 1 1 77 77 GLU N N 77 118.567 118.567 121.076 -2.509 18808 4072 1 10 . 1 1 77 77 GLU HA H 77 4.223 4.223 4.133 0.090 18808 4073 1 10 . 1 1 77 77 GLU CA C 77 56.457 56.457 57.133 -0.676 18808 4074 1 10 . 1 1 77 77 GLU CB C 77 28.811 28.811 29.783 -0.972 18808 4075 1 10 . 1 1 77 77 GLU H H 77 8.491 8.491 8.605 -0.114 18808 4076 1 10 . 1 1 78 78 ASP N N 78 120.557 120.557 120.408 0.149 18808 4077 1 10 . 1 1 78 78 ASP CA C 78 54.073 54.073 53.249 0.824 18808 4078 1 10 . 1 1 78 78 ASP CB C 78 40.455 40.455 41.783 -1.328 18808 4079 1 10 . 1 1 78 78 ASP H H 78 8.015 8.015 8.548 -0.533 18808 4080 1 10 . 1 1 79 79 ARG N N 79 121.090 121.090 119.733 1.357 18808 4081 1 10 . 1 1 79 79 ARG CA C 79 55.406 55.406 57.164 -1.758 18808 4082 1 10 . 1 1 79 79 ARG CB C 79 29.636 29.636 30.515 -0.879 18808 4083 1 10 . 1 1 79 79 ARG H H 79 8.120 8.120 8.442 -0.322 18808 4084 1 10 . 1 1 80 80 SER N N 80 118.342 118.342 117.491 0.851 18808 4085 1 10 . 1 1 80 80 SER HA H 80 4.704 4.704 4.746 -0.042 18808 4086 1 10 . 1 1 80 80 SER CA C 80 56.232 56.232 56.103 0.129 18808 4087 1 10 . 1 1 80 80 SER CB C 80 62.761 62.761 63.548 -0.787 18808 4088 1 10 . 1 1 80 80 SER H H 80 8.337 8.337 7.726 0.611 18808 4089 1 10 . 1 1 81 81 PRO CA C 81 62.870 62.870 63.412 -0.542 18808 4090 1 10 . 1 1 81 81 PRO CB C 81 31.134 31.134 32.153 -1.019 18808 4091 1 10 . 1 1 82 82 SER N N 82 117.424 117.424 119.277 -1.853 18808 4092 1 10 . 1 1 82 82 SER HA H 82 4.726 4.726 4.738 -0.012 18808 4093 1 10 . 1 1 82 82 SER CA C 82 55.808 55.808 56.427 -0.619 18808 4094 1 10 . 1 1 82 82 SER CB C 82 62.903 62.903 64.161 -1.258 18808 4095 1 10 . 1 1 82 82 SER H H 82 8.358 8.358 8.034 0.324 18808 4096 1 10 . 1 1 83 83 PRO CA C 83 62.778 62.778 63.688 -0.910 18808 4097 1 10 . 1 1 84 84 GLU N N 84 122.184 122.184 120.021 2.163 18808 4098 1 10 . 1 1 84 84 GLU HA H 84 4.539 4.539 4.695 -0.156 18808 4099 1 10 . 1 1 84 84 GLU CA C 84 53.934 53.934 53.578 0.356 18808 4100 1 10 . 1 1 84 84 GLU CB C 84 28.861 28.861 31.636 -2.775 18808 4101 1 10 . 1 1 84 84 GLU H H 84 8.295 8.295 8.159 0.136 18808 4102 1 10 . 1 1 85 85 PRO CA C 85 62.675 62.675 62.892 -0.217 18808 4103 1 10 . 1 1 85 85 PRO CB C 85 31.123 31.123 31.541 -0.418 18808 4104 1 10 . 1 1 86 86 ILE N N 86 120.522 120.522 125.197 -4.675 18808 4105 1 10 . 1 1 86 86 ILE CA C 86 60.553 60.553 61.315 -0.762 18808 4106 1 10 . 1 1 86 86 ILE CB C 86 38.305 38.305 38.017 0.288 18808 4107 1 10 . 1 1 86 86 ILE H H 86 8.052 8.052 8.351 -0.299 18808 4108 1 10 . 1 1 87 87 TYR N N 87 123.178 123.178 128.692 -5.514 18808 4109 1 10 . 1 1 87 87 TYR HA H 87 4.905 4.905 4.730 0.175 18808 4110 1 10 . 1 1 87 87 TYR CA C 87 56.744 56.744 57.924 -1.180 18808 4111 1 10 . 1 1 87 87 TYR CB C 87 39.324 39.324 41.280 -1.956 18808 4112 1 10 . 1 1 87 87 TYR H H 87 8.272 8.272 8.429 -0.157 18808 4113 1 10 . 1 1 88 88 ASN N N 88 120.123 120.123 124.224 -4.101 18808 4114 1 10 . 1 1 88 88 ASN HA H 88 4.801 4.801 4.783 0.018 18808 4115 1 10 . 1 1 88 88 ASN CA C 88 51.734 51.734 52.407 -0.673 18808 4116 1 10 . 1 1 88 88 ASN CB C 88 38.209 38.209 38.682 -0.473 18808 4117 1 10 . 1 1 88 88 ASN H H 88 8.466 8.466 8.122 0.344 18808 4118 1 10 . 1 1 89 89 SER N N 89 115.872 115.872 118.427 -2.555 18808 4119 1 10 . 1 1 89 89 SER HA H 89 4.276 4.276 4.324 -0.048 18808 4120 1 10 . 1 1 89 89 SER CA C 89 59.589 59.589 58.810 0.779 18808 4121 1 10 . 1 1 89 89 SER CB C 89 62.695 62.695 64.124 -1.429 18808 4122 1 10 . 1 1 89 89 SER H H 89 8.460 8.460 8.705 -0.245 18808 4123 1 10 . 1 1 90 90 GLU CA C 90 56.320 56.320 55.988 0.332 18808 4124 1 10 . 1 1 90 90 GLU CB C 90 29.074 29.074 30.113 -1.040 18808 4125 1 10 . 1 1 91 91 GLY N N 91 108.520 108.520 112.671 -4.151 18808 4126 1 10 . 1 1 91 91 GLY CA C 91 45.175 45.175 44.789 0.386 18808 4127 1 10 . 1 1 91 91 GLY H H 91 8.245 8.245 8.463 -0.218 18808 4128 1 10 . 1 1 92 92 LYS N N 92 120.880 120.880 120.052 0.828 18808 4129 1 10 . 1 1 92 92 LYS CA C 92 55.393 55.393 56.711 -1.318 18808 4130 1 10 . 1 1 92 92 LYS CB C 92 32.047 32.047 32.686 -0.639 18808 4131 1 10 . 1 1 92 92 LYS H H 92 8.022 8.022 8.016 0.006 18808 4132 1 10 . 1 1 93 93 ARG N N 93 123.484 123.484 119.948 3.536 18808 4133 1 10 . 1 1 93 93 ARG HA H 93 4.230 4.230 4.447 -0.217 18808 4134 1 10 . 1 1 93 93 ARG CA C 93 55.894 55.894 55.359 0.535 18808 4135 1 10 . 1 1 93 93 ARG CB C 93 30.480 30.480 31.077 -0.597 18808 4136 1 10 . 1 1 93 93 ARG H H 93 8.476 8.476 8.120 0.356 18808 4137 1 10 . 1 1 94 94 LEU N N 94 124.336 124.336 121.756 2.580 18808 4138 1 10 . 1 1 94 94 LEU HA H 94 4.323 4.323 4.274 0.049 18808 4139 1 10 . 1 1 94 94 LEU CA C 94 54.606 54.606 56.379 -1.773 18808 4140 1 10 . 1 1 94 94 LEU H H 94 8.391 8.391 8.445 -0.054 18808 4141 1 10 . 1 1 95 95 ASN N N 95 119.662 119.662 118.036 1.626 18808 4142 1 10 . 1 1 95 95 ASN HA H 95 4.793 4.793 5.032 -0.239 18808 4143 1 10 . 1 1 95 95 ASN CA C 95 52.490 52.490 53.049 -0.559 18808 4144 1 10 . 1 1 95 95 ASN CB C 95 38.070 38.070 38.895 -0.825 18808 4145 1 10 . 1 1 95 95 ASN H H 95 8.533 8.533 7.723 0.810 18808 4146 1 10 . 1 1 96 96 THR N N 96 114.180 114.180 118.037 -3.857 18808 4147 1 10 . 1 1 96 96 THR CA C 96 62.469 62.469 64.075 -1.606 18808 4148 1 10 . 1 1 96 96 THR H H 96 8.128 8.128 8.358 -0.230 18808 4149 1 10 . 1 1 97 97 ARG N N 97 122.577 122.577 123.423 -0.846 18808 4150 1 10 . 1 1 97 97 ARG CA C 97 58.053 58.053 59.817 -1.764 18808 4151 1 10 . 1 1 97 97 ARG H H 97 8.626 8.626 8.718 -0.092 18808 4152 1 10 . 1 1 98 98 GLU N N 98 121.594 121.594 121.317 0.277 18808 4153 1 10 . 1 1 98 98 GLU CA C 98 58.320 58.320 59.470 -1.150 18808 4154 1 10 . 1 1 98 98 GLU H H 98 8.607 8.607 8.220 0.387 18808 4155 1 10 . 1 1 100 100 ARG CA C 100 58.113 58.113 59.995 -1.881 18808 4156 1 10 . 1 1 101 101 THR N N 101 115.806 115.806 116.211 -0.405 18808 4157 1 10 . 1 1 101 101 THR HA H 101 3.987 3.987 4.049 -0.062 18808 4158 1 10 . 1 1 101 101 THR CA C 101 64.627 64.627 66.357 -1.730 18808 4159 1 10 . 1 1 101 101 THR H H 101 8.091 8.091 7.954 0.137 18808 4160 1 10 . 1 1 102 102 ARG N N 102 122.017 122.017 120.897 1.120 18808 4161 1 10 . 1 1 102 102 ARG CA C 102 60.055 60.055 59.901 0.154 18808 4162 1 10 . 1 1 102 102 ARG H H 102 8.430 8.430 8.425 0.005 18808 4163 1 10 . 1 1 103 103 LYS N N 103 117.689 117.689 119.775 -2.086 18808 4164 1 10 . 1 1 103 103 LYS CA C 103 58.573 58.573 58.217 0.356 18808 4165 1 10 . 1 1 103 103 LYS H H 103 7.975 7.975 8.271 -0.296 18808 4166 1 10 . 1 1 104 104 LYS N N 104 119.765 119.765 119.847 -0.082 18808 4167 1 10 . 1 1 104 104 LYS CA C 104 58.500 58.500 58.694 -0.194 18808 4168 1 10 . 1 1 104 104 LYS CB C 104 31.083 31.083 31.777 -0.694 18808 4169 1 10 . 1 1 104 104 LYS H H 104 7.674 7.674 7.569 0.105 18808 4170 1 10 . 1 1 105 105 LEU N N 105 120.812 120.812 118.960 1.852 18808 4171 1 10 . 1 1 105 105 LEU CA C 105 57.813 57.813 58.124 -0.311 18808 4172 1 10 . 1 1 105 105 LEU H H 105 8.120 8.120 7.913 0.207 18808 4173 1 10 . 1 1 106 106 GLU N N 106 118.877 118.877 118.891 -0.014 18808 4174 1 10 . 1 1 106 106 GLU CA C 106 59.150 59.150 59.755 -0.605 18808 4175 1 10 . 1 1 106 106 GLU CB C 106 29.012 29.012 29.216 -0.204 18808 4176 1 10 . 1 1 106 106 GLU H H 106 8.707 8.707 8.018 0.689 18808 4177 1 10 . 1 1 107 107 GLU N N 107 122.176 122.176 118.955 3.221 18808 4178 1 10 . 1 1 107 107 GLU H H 107 8.357 8.357 8.229 0.128 18808 4179 1 10 . 1 1 108 108 GLU N N 108 121.565 121.565 119.711 1.854 18808 4180 1 10 . 1 1 108 108 GLU H H 108 8.322 8.322 8.036 0.286 18808 4181 1 10 . 1 1 109 109 ARG N N 109 118.431 118.431 119.912 -1.481 18808 4182 1 10 . 1 1 109 109 ARG H H 109 8.613 8.613 8.243 0.370 18808 4183 1 10 . 1 1 110 110 HIS N N 110 119.577 119.577 118.453 1.124 18808 4184 1 10 . 1 1 110 110 HIS CA C 110 60.031 60.031 59.241 0.790 18808 4185 1 10 . 1 1 110 110 HIS H H 110 8.541 8.541 8.642 -0.101 18808 4186 1 10 . 1 1 111 111 ASN N N 111 119.551 119.551 118.483 1.068 18808 4187 1 10 . 1 1 111 111 ASN CB C 111 36.981 36.981 38.331 -1.350 18808 4188 1 10 . 1 1 111 111 ASN H H 111 8.401 8.401 8.202 0.199 18808 4189 1 10 . 1 1 112 112 LEU N N 112 121.995 121.995 119.968 2.027 18808 4190 1 10 . 1 1 112 112 LEU CA C 112 57.434 57.434 57.714 -0.280 18808 4191 1 10 . 1 1 112 112 LEU H H 112 8.088 8.088 7.612 0.476 18808 4192 1 10 . 1 1 113 113 ILE N N 113 121.510 121.510 120.749 0.761 18808 4193 1 10 . 1 1 113 113 ILE CA C 113 65.489 65.489 64.605 0.884 18808 4194 1 10 . 1 1 113 113 ILE H H 113 8.527 8.527 8.615 -0.088 18808 4195 1 10 . 1 1 114 114 THR N N 114 115.127 115.127 116.116 -0.989 18808 4196 1 10 . 1 1 114 114 THR HA H 114 3.748 3.748 3.929 -0.181 18808 4197 1 10 . 1 1 114 114 THR CA C 114 66.173 66.173 67.566 -1.393 18808 4198 1 10 . 1 1 114 114 THR CB C 114 68.210 68.210 68.375 -0.165 18808 4199 1 10 . 1 1 114 114 THR H H 114 8.102 8.102 8.432 -0.330 18808 4200 1 10 . 1 1 115 115 GLU N N 115 123.316 123.316 122.146 1.170 18808 4201 1 10 . 1 1 115 115 GLU CA C 115 58.663 58.663 59.229 -0.566 18808 4202 1 10 . 1 1 115 115 GLU CB C 115 28.390 28.390 29.566 -1.176 18808 4203 1 10 . 1 1 115 115 GLU H H 115 7.473 7.473 7.524 -0.051 18808 4204 1 10 . 1 1 116 116 MET N N 116 119.934 119.934 119.900 0.034 18808 4205 1 10 . 1 1 116 116 MET CA C 116 56.561 56.561 59.231 -2.670 18808 4206 1 10 . 1 1 116 116 MET H H 116 8.442 8.442 8.530 -0.088 18808 4207 1 10 . 1 1 117 117 VAL N N 117 117.688 117.688 119.872 -2.184 18808 4208 1 10 . 1 1 117 117 VAL HA H 117 3.946 3.946 4.196 -0.250 18808 4209 1 10 . 1 1 117 117 VAL CA C 117 61.989 61.989 66.124 -4.135 18808 4210 1 10 . 1 1 117 117 VAL H H 117 8.332 8.332 8.637 -0.305 18808 4211 1 10 . 1 1 118 118 ALA N N 118 120.568 120.568 121.925 -1.357 18808 4212 1 10 . 1 1 118 118 ALA HA H 118 4.173 4.173 4.148 0.025 18808 4213 1 10 . 1 1 118 118 ALA CA C 118 53.531 53.531 54.872 -1.341 18808 4214 1 10 . 1 1 118 118 ALA CB C 118 17.606 17.606 18.660 -1.054 18808 4215 1 10 . 1 1 118 118 ALA H H 118 7.143 7.143 7.504 -0.361 18808 4216 1 10 . 1 1 119 119 LEU N N 119 118.032 118.032 118.195 -0.163 18808 4217 1 10 . 1 1 119 119 LEU CA C 119 56.245 56.245 56.524 -0.279 18808 4218 1 10 . 1 1 119 119 LEU H H 119 7.585 7.585 8.086 -0.501 18808 4219 1 10 . 1 1 120 120 ASN N N 120 115.407 115.407 115.597 -0.190 18808 4220 1 10 . 1 1 120 120 ASN HA H 120 5.065 5.065 5.139 -0.074 18808 4221 1 10 . 1 1 120 120 ASN CA C 120 49.613 49.613 50.063 -0.450 18808 4222 1 10 . 1 1 120 120 ASN CB C 120 38.651 38.651 39.906 -1.254 18808 4223 1 10 . 1 1 120 120 ASN H H 120 8.512 8.512 8.139 0.373 18808 4224 1 10 . 1 1 121 121 PRO HA H 121 4.711 4.711 4.571 0.140 18808 4225 1 10 . 1 1 121 121 PRO CA C 121 63.796 63.796 64.608 -0.812 18808 4226 1 10 . 1 1 121 121 PRO CB C 121 31.383 31.383 32.349 -0.966 18808 4227 1 10 . 1 1 122 122 ASP N N 122 115.768 115.768 117.497 -1.729 18808 4228 1 10 . 1 1 122 122 ASP CA C 122 53.863 53.863 53.738 0.125 18808 4229 1 10 . 1 1 122 122 ASP CB C 122 40.647 40.647 41.567 -0.920 18808 4230 1 10 . 1 1 122 122 ASP H H 122 7.676 7.676 8.003 -0.327 18808 4231 1 10 . 1 1 123 123 PHE N N 123 122.733 122.733 121.657 1.076 18808 4232 1 10 . 1 1 123 123 PHE HA H 123 4.181 4.181 4.385 -0.204 18808 4233 1 10 . 1 1 123 123 PHE CA C 123 58.501 58.501 58.756 -0.255 18808 4234 1 10 . 1 1 123 123 PHE CB C 123 38.660 38.660 39.634 -0.974 18808 4235 1 10 . 1 1 123 123 PHE H H 123 7.989 7.989 7.444 0.545 18808 4236 1 10 . 1 1 124 124 LYS N N 124 129.392 129.392 128.608 0.784 18808 4237 1 10 . 1 1 124 124 LYS HA H 124 4.592 4.592 4.373 0.219 18808 4238 1 10 . 1 1 124 124 LYS CA C 124 51.210 51.210 51.967 -0.757 18808 4239 1 10 . 1 1 124 124 LYS CB C 124 31.495 31.495 31.901 -0.406 18808 4240 1 10 . 1 1 124 124 LYS H H 124 7.686 7.686 8.302 -0.616 18808 4241 1 10 . 1 1 125 125 PRO HA H 125 4.139 4.139 4.127 0.012 18808 4242 1 10 . 1 1 125 125 PRO CA C 125 60.556 60.556 61.199 -0.643 18808 4243 1 10 . 1 1 126 126 PRO HA H 126 4.771 4.771 4.335 0.436 18808 4244 1 10 . 1 1 126 126 PRO CA C 126 62.246 62.246 62.962 -0.716 18808 4245 1 10 . 1 1 126 126 PRO CB C 126 31.352 31.352 32.178 -0.826 18808 4246 1 10 . 1 1 127 127 ALA N N 127 123.830 123.830 124.845 -1.015 18808 4247 1 10 . 1 1 127 127 ALA HA H 127 4.105 4.105 4.103 0.002 18808 4248 1 10 . 1 1 127 127 ALA CA C 127 54.149 54.149 54.595 -0.446 18808 4249 1 10 . 1 1 127 127 ALA CB C 127 18.076 18.076 18.735 -0.659 18808 4250 1 10 . 1 1 127 127 ALA H H 127 8.691 8.691 8.611 0.080 18808 4251 1 10 . 1 1 128 128 ASP N N 128 112.954 112.954 116.326 -3.372 18808 4252 1 10 . 1 1 128 128 ASP CA C 128 53.203 53.203 55.042 -1.839 18808 4253 1 10 . 1 1 128 128 ASP CB C 128 39.728 39.728 40.376 -0.648 18808 4254 1 10 . 1 1 128 128 ASP H H 128 8.403 8.403 8.517 -0.114 18808 4255 1 10 . 1 1 129 129 TYR N N 129 121.200 121.200 122.365 -1.165 18808 4256 1 10 . 1 1 129 129 TYR CA C 129 57.918 57.918 59.545 -1.627 18808 4257 1 10 . 1 1 129 129 TYR CB C 129 38.075 38.075 38.749 -0.674 18808 4258 1 10 . 1 1 129 129 TYR H H 129 7.650 7.650 7.463 0.187 18808 4259 1 10 . 1 1 130 130 LYS N N 130 129.878 129.878 128.518 1.360 18808 4260 1 10 . 1 1 130 130 LYS HA H 130 4.361 4.361 4.512 -0.151 18808 4261 1 10 . 1 1 130 130 LYS CA C 130 52.063 52.063 52.327 -0.264 18808 4262 1 10 . 1 1 130 130 LYS CB C 130 32.565 32.565 32.097 0.468 18808 4263 1 10 . 1 1 130 130 LYS H H 130 7.784 7.784 7.731 0.053 18808 4264 1 10 . 1 1 132 132 PRO CA C 132 62.394 62.394 62.849 -0.455 18808 4265 1 10 . 1 1 132 132 PRO CB C 132 29.945 29.945 31.075 -1.130 18808 4266 1 10 . 1 1 133 133 ALA N N 133 124.238 124.238 122.897 1.341 18808 4267 1 10 . 1 1 133 133 ALA HA H 133 4.293 4.293 4.080 0.213 18808 4268 1 10 . 1 1 133 133 ALA CA C 133 52.004 52.004 52.914 -0.910 18808 4269 1 10 . 1 1 133 133 ALA CB C 133 18.521 18.521 18.361 0.160 18808 4270 1 10 . 1 1 133 133 ALA H H 133 8.375 8.375 7.658 0.717 18808 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 100 2.624 -0.186 2.631 18808 2 1 1 "Average Difference" HA 36 0.187 0.010 0.189 18808 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18808 4 1 1 "Average Difference" CA 112 0.940 0.438 0.836 18808 5 1 1 "Average Difference" CB 79 1.140 0.838 0.778 18808 6 1 1 "Average Difference" HN 100 0.351 -0.093 0.340 18808 7 1 2 "Average Difference" N 100 2.401 -0.240 2.401 18808 8 1 2 "Average Difference" HA 36 0.212 -0.009 0.215 18808 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18808 10 1 2 "Average Difference" CA 112 1.013 0.408 0.931 18808 11 1 2 "Average Difference" CB 79 1.135 0.800 0.811 18808 12 1 2 "Average Difference" HN 100 0.342 -0.111 0.325 18808 13 1 3 "Average Difference" N 100 2.671 -0.397 2.654 18808 14 1 3 "Average Difference" HA 36 0.218 0.015 0.221 18808 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18808 16 1 3 "Average Difference" CA 112 1.067 0.415 0.987 18808 17 1 3 "Average Difference" CB 79 1.081 0.762 0.772 18808 18 1 3 "Average Difference" HN 100 0.345 -0.095 0.333 18808 19 1 4 "Average Difference" N 100 2.265 -0.425 2.236 18808 20 1 4 "Average Difference" HA 36 0.171 0.030 0.171 18808 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18808 22 1 4 "Average Difference" CA 112 0.981 0.363 0.915 18808 23 1 4 "Average Difference" CB 79 1.055 0.725 0.771 18808 24 1 4 "Average Difference" HN 100 0.361 -0.097 0.350 18808 25 1 5 "Average Difference" N 100 2.288 -0.144 2.295 18808 26 1 5 "Average Difference" HA 36 0.187 0.006 0.189 18808 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18808 28 1 5 "Average Difference" CA 112 0.926 0.361 0.857 18808 29 1 5 "Average Difference" CB 79 1.067 0.745 0.770 18808 30 1 5 "Average Difference" HN 100 0.330 -0.069 0.325 18808 31 1 6 "Average Difference" N 100 2.440 -0.376 2.423 18808 32 1 6 "Average Difference" HA 36 0.148 0.032 0.147 18808 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18808 34 1 6 "Average Difference" CA 112 0.978 0.393 0.899 18808 35 1 6 "Average Difference" CB 79 1.061 0.849 0.642 18808 36 1 6 "Average Difference" HN 100 0.342 -0.094 0.331 18808 37 1 7 "Average Difference" N 100 2.507 -0.456 2.478 18808 38 1 7 "Average Difference" HA 36 0.195 0.069 0.185 18808 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18808 40 1 7 "Average Difference" CA 112 0.992 0.341 0.936 18808 41 1 7 "Average Difference" CB 79 1.152 0.811 0.824 18808 42 1 7 "Average Difference" HN 100 0.377 -0.093 0.367 18808 43 1 8 "Average Difference" N 100 2.739 -0.387 2.726 18808 44 1 8 "Average Difference" HA 36 0.202 0.027 0.203 18808 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18808 46 1 8 "Average Difference" CA 112 1.052 0.474 0.943 18808 47 1 8 "Average Difference" CB 79 1.135 0.846 0.761 18808 48 1 8 "Average Difference" HN 100 0.334 -0.085 0.325 18808 49 1 9 "Average Difference" N 100 2.260 -0.153 2.266 18808 50 1 9 "Average Difference" HA 36 0.181 0.036 0.180 18808 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18808 52 1 9 "Average Difference" CA 112 0.973 0.384 0.898 18808 53 1 9 "Average Difference" CB 79 1.096 0.772 0.783 18808 54 1 9 "Average Difference" HN 100 0.336 -0.076 0.329 18808 55 1 10 "Average Difference" N 100 2.224 0.103 2.233 18808 56 1 10 "Average Difference" HA 36 0.182 0.047 0.179 18808 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18808 58 1 10 "Average Difference" CA 112 0.923 0.382 0.843 18808 59 1 10 "Average Difference" CB 79 1.035 0.816 0.641 18808 60 1 10 "Average Difference" HN 100 0.350 -0.108 0.334 18808 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 18808 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 THR N N 3 118.281 118.281 113.557 4.724 18808 2 1 . 1 1 3 3 THR HA H 3 4.220 4.220 4.382 -0.162 18808 3 1 . 1 1 3 3 THR CA C 3 61.481 61.481 61.972 -0.491 18808 4 1 . 1 1 3 3 THR CB C 3 69.427 69.427 69.459 -0.032 18808 5 1 . 1 1 3 3 THR H H 3 8.283 8.283 8.195 0.087 18808 6 1 . 1 1 4 4 GLY N N 4 111.418 111.418 110.948 0.470 18808 7 1 . 1 1 4 4 GLY CA C 4 44.811 44.811 45.032 -0.220 18808 8 1 . 1 1 4 4 GLY H H 4 8.445 8.445 8.315 0.130 18808 9 1 . 1 1 5 5 ALA N N 5 123.764 123.764 123.512 0.252 18808 10 1 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.319 0.005 18808 11 1 . 1 1 5 5 ALA CA C 5 52.237 52.237 52.134 0.103 18808 12 1 . 1 1 5 5 ALA CB C 5 18.688 18.688 18.999 -0.311 18808 13 1 . 1 1 5 5 ALA H H 5 8.229 8.229 8.159 0.070 18808 14 1 . 1 1 6 6 ASN N N 6 117.534 117.534 119.118 -1.584 18808 15 1 . 1 1 6 6 ASN HA H 6 4.672 4.672 4.676 -0.004 18808 16 1 . 1 1 6 6 ASN CA C 6 52.760 52.760 53.468 -0.708 18808 17 1 . 1 1 6 6 ASN CB C 6 38.294 38.294 38.854 -0.560 18808 18 1 . 1 1 6 6 ASN H H 6 8.426 8.426 8.513 -0.087 18808 19 1 . 1 1 7 7 ALA N N 7 124.230 124.230 123.790 0.440 18808 20 1 . 1 1 7 7 ALA HA H 7 4.375 4.375 4.498 -0.123 18808 21 1 . 1 1 7 7 ALA CA C 7 52.033 52.033 52.288 -0.255 18808 22 1 . 1 1 7 7 ALA CB C 7 18.611 18.611 19.612 -1.001 18808 23 1 . 1 1 7 7 ALA H H 7 8.171 8.171 8.262 -0.091 18808 24 1 . 1 1 8 8 THR N N 8 116.291 116.291 115.252 1.039 18808 25 1 . 1 1 8 8 THR HA H 8 4.613 4.613 4.630 -0.017 18808 26 1 . 1 1 8 8 THR CA C 8 59.445 59.445 59.717 -0.272 18808 27 1 . 1 1 8 8 THR CB C 8 69.200 69.200 69.448 -0.248 18808 28 1 . 1 1 8 8 THR H H 8 8.211 8.211 8.004 0.207 18808 29 1 . 1 1 9 9 PRO CA C 9 62.885 62.885 62.668 0.217 18808 30 1 . 1 1 9 9 PRO CB C 9 31.241 31.241 32.442 -1.201 18808 31 1 . 1 1 10 10 LEU N N 10 121.874 121.874 122.255 -0.381 18808 32 1 . 1 1 10 10 LEU HA H 10 4.257 4.257 4.305 -0.048 18808 33 1 . 1 1 10 10 LEU CA C 10 54.751 54.751 55.154 -0.403 18808 34 1 . 1 1 10 10 LEU H H 10 8.245 8.245 8.257 -0.012 18808 35 1 . 1 1 11 11 ASP N N 11 120.266 120.266 120.890 -0.624 18808 36 1 . 1 1 11 11 ASP CA C 11 53.652 53.652 53.951 -0.298 18808 37 1 . 1 1 11 11 ASP CB C 11 40.760 40.760 41.811 -1.051 18808 38 1 . 1 1 11 11 ASP H H 11 8.091 8.091 8.189 -0.098 18808 39 1 . 1 1 12 12 PHE N N 12 121.243 121.243 121.144 0.099 18808 40 1 . 1 1 12 12 PHE CA C 12 55.502 55.502 55.184 0.318 18808 41 1 . 1 1 12 12 PHE CB C 12 38.370 38.370 38.972 -0.602 18808 42 1 . 1 1 12 12 PHE H H 12 8.058 8.058 7.909 0.148 18808 43 1 . 1 1 13 13 PRO CA C 13 63.035 63.035 63.510 -0.475 18808 44 1 . 1 1 13 13 PRO CB C 13 31.024 31.024 32.013 -0.989 18808 45 1 . 1 1 14 14 SER N N 14 115.993 115.993 118.866 -2.873 18808 46 1 . 1 1 14 14 SER CA C 14 58.010 58.010 57.036 0.974 18808 47 1 . 1 1 14 14 SER CB C 14 63.227 63.227 64.296 -1.069 18808 48 1 . 1 1 14 14 SER H H 14 8.301 8.301 8.247 0.054 18808 49 1 . 1 1 15 15 LYS N N 15 123.610 123.610 120.702 2.908 18808 50 1 . 1 1 15 15 LYS CA C 15 55.871 55.871 57.507 -1.636 18808 51 1 . 1 1 15 15 LYS CB C 15 32.035 32.035 30.853 1.182 18808 52 1 . 1 1 15 15 LYS H H 15 8.319 8.319 8.585 -0.266 18808 53 1 . 1 1 18 18 LYS CB C 18 32.178 32.178 33.837 -1.659 18808 54 1 . 1 1 19 19 ARG N N 19 121.722 121.722 121.892 -0.170 18808 55 1 . 1 1 19 19 ARG CA C 19 55.272 55.272 55.489 -0.217 18808 56 1 . 1 1 19 19 ARG CB C 19 30.231 30.231 31.695 -1.464 18808 57 1 . 1 1 19 19 ARG H H 19 8.327 8.327 8.126 0.201 18808 58 1 . 1 1 20 20 SER N N 20 116.915 116.915 120.257 -3.341 18808 59 1 . 1 1 20 20 SER CA C 20 56.632 56.632 58.660 -2.028 18808 60 1 . 1 1 20 20 SER CB C 20 63.767 63.767 63.775 -0.008 18808 61 1 . 1 1 20 20 SER H H 20 8.455 8.455 8.608 -0.153 18808 62 1 . 1 1 21 21 ARG N N 21 128.321 128.321 123.078 5.243 18808 63 1 . 1 1 21 21 ARG CA C 21 56.363 56.363 56.178 0.185 18808 64 1 . 1 1 21 21 ARG CB C 21 27.800 27.800 30.401 -2.601 18808 65 1 . 1 1 21 21 ARG H H 21 10.106 10.106 8.770 1.336 18808 66 1 . 1 1 22 22 TRP N N 22 122.075 122.075 120.765 1.310 18808 67 1 . 1 1 22 22 TRP CA C 22 57.297 57.297 56.838 0.459 18808 68 1 . 1 1 22 22 TRP CB C 22 28.494 28.494 28.668 -0.174 18808 69 1 . 1 1 22 22 TRP H H 22 8.077 8.077 8.059 0.018 18808 70 1 . 1 1 23 23 ASN N N 23 122.985 122.985 120.213 2.772 18808 71 1 . 1 1 23 23 ASN CA C 23 53.861 53.861 53.426 0.435 18808 72 1 . 1 1 23 23 ASN CB C 23 38.205 38.205 39.525 -1.320 18808 73 1 . 1 1 23 23 ASN H H 23 8.817 8.817 8.278 0.539 18808 74 1 . 1 1 24 24 GLN N N 24 122.244 122.244 115.832 6.412 18808 75 1 . 1 1 24 24 GLN CA C 24 55.338 55.338 55.989 -0.651 18808 76 1 . 1 1 24 24 GLN CB C 24 28.621 28.621 29.635 -1.014 18808 77 1 . 1 1 24 24 GLN H H 24 8.795 8.795 8.479 0.316 18808 78 1 . 1 1 25 25 ASP N N 25 122.220 122.220 122.008 0.211 18808 79 1 . 1 1 25 25 ASP CA C 25 53.994 53.994 54.051 -0.057 18808 80 1 . 1 1 25 25 ASP CB C 25 40.463 40.463 42.139 -1.676 18808 81 1 . 1 1 25 25 ASP H H 25 8.612 8.612 8.060 0.552 18808 82 1 . 1 1 26 26 THR N N 26 114.228 114.228 117.441 -3.213 18808 83 1 . 1 1 26 26 THR CA C 26 61.524 61.524 61.596 -0.072 18808 84 1 . 1 1 26 26 THR CB C 26 69.198 69.198 70.003 -0.805 18808 85 1 . 1 1 26 26 THR H H 26 8.158 8.158 8.355 -0.197 18808 86 1 . 1 1 27 27 MET N N 27 121.829 121.829 118.997 2.832 18808 87 1 . 1 1 27 27 MET CA C 27 55.546 55.546 56.559 -1.013 18808 88 1 . 1 1 27 27 MET CB C 27 31.644 31.644 32.795 -1.151 18808 89 1 . 1 1 27 27 MET H H 27 8.438 8.438 8.389 0.049 18808 90 1 . 1 1 30 30 LYS CA C 30 55.776 55.776 56.581 -0.805 18808 91 1 . 1 1 30 30 LYS CB C 30 32.174 32.174 32.718 -0.544 18808 92 1 . 1 1 31 31 THR N N 31 116.696 116.696 114.697 1.999 18808 93 1 . 1 1 31 31 THR CA C 31 61.760 61.760 62.056 -0.296 18808 94 1 . 1 1 31 31 THR CB C 31 69.262 69.262 69.761 -0.499 18808 95 1 . 1 1 31 31 THR H H 31 8.214 8.214 8.096 0.118 18808 96 1 . 1 1 32 32 VAL N N 32 124.581 124.581 123.679 0.902 18808 97 1 . 1 1 32 32 VAL CA C 32 61.964 61.964 61.311 0.653 18808 98 1 . 1 1 32 32 VAL H H 32 8.262 8.262 8.103 0.159 18808 99 1 . 1 1 33 33 ILE N N 33 128.095 128.095 126.061 2.034 18808 100 1 . 1 1 33 33 ILE CA C 33 57.573 57.573 57.761 -0.188 18808 101 1 . 1 1 33 33 ILE H H 33 8.606 8.606 8.213 0.393 18808 102 1 . 1 1 34 34 PRO CA C 34 63.255 63.255 62.943 0.312 18808 103 1 . 1 1 34 34 PRO CB C 34 31.086 31.086 32.117 -1.031 18808 104 1 . 1 1 35 35 GLY N N 35 110.169 110.169 110.517 -0.348 18808 105 1 . 1 1 35 35 GLY CA C 35 44.668 44.668 45.090 -0.422 18808 106 1 . 1 1 35 35 GLY H H 35 8.468 8.468 8.489 -0.022 18808 107 1 . 1 1 36 36 MET N N 36 121.185 121.185 120.885 0.300 18808 108 1 . 1 1 36 36 MET HA H 36 4.833 4.833 4.845 -0.012 18808 109 1 . 1 1 36 36 MET CA C 36 52.739 52.739 52.996 -0.257 18808 110 1 . 1 1 36 36 MET CB C 36 32.162 32.162 33.179 -1.017 18808 111 1 . 1 1 36 36 MET H H 36 8.235 8.235 8.088 0.147 18808 112 1 . 1 1 38 38 THR N N 38 113.487 113.487 112.616 0.871 18808 113 1 . 1 1 38 38 THR H H 38 8.286 8.286 8.223 0.063 18808 114 1 . 1 1 39 39 VAL CA C 39 61.780 61.780 62.289 -0.510 18808 115 1 . 1 1 40 40 ILE N N 40 127.358 127.358 127.349 0.009 18808 116 1 . 1 1 40 40 ILE CB C 40 36.993 36.993 38.631 -1.638 18808 117 1 . 1 1 40 40 ILE H H 40 8.254 8.254 8.152 0.102 18808 118 1 . 1 1 42 42 PRO CA C 42 62.198 62.198 63.132 -0.934 18808 119 1 . 1 1 42 42 PRO CB C 42 31.440 31.440 31.355 0.086 18808 120 1 . 1 1 43 43 GLY N N 43 107.143 107.143 111.563 -4.420 18808 121 1 . 1 1 43 43 GLY CA C 43 45.443 45.443 44.805 0.638 18808 122 1 . 1 1 43 43 GLY H H 43 8.405 8.405 8.443 -0.038 18808 123 1 . 1 1 44 44 LEU N N 44 120.813 120.813 120.486 0.327 18808 124 1 . 1 1 44 44 LEU CA C 44 54.142 54.142 53.820 0.322 18808 125 1 . 1 1 44 44 LEU H H 44 8.148 8.148 7.852 0.296 18808 126 1 . 1 1 45 45 THR N N 45 113.080 113.080 112.640 0.440 18808 127 1 . 1 1 45 45 THR CA C 45 60.668 60.668 60.676 -0.008 18808 128 1 . 1 1 45 45 THR CB C 45 70.540 70.540 71.029 -0.489 18808 129 1 . 1 1 45 45 THR H H 45 8.571 8.571 8.249 0.322 18808 130 1 . 1 1 46 46 ARG N N 46 120.920 120.920 123.267 -2.347 18808 131 1 . 1 1 46 46 ARG CA C 46 59.422 59.422 58.948 0.474 18808 132 1 . 1 1 46 46 ARG CB C 46 28.617 28.617 29.361 -0.744 18808 133 1 . 1 1 46 46 ARG H H 46 8.814 8.814 8.948 -0.134 18808 134 1 . 1 1 47 47 GLU N N 47 119.131 119.131 119.126 0.005 18808 135 1 . 1 1 47 47 GLU CA C 47 59.797 59.797 59.663 0.134 18808 136 1 . 1 1 47 47 GLU CB C 47 28.200 28.200 28.655 -0.455 18808 137 1 . 1 1 47 47 GLU H H 47 8.836 8.836 8.649 0.187 18808 138 1 . 1 1 48 48 GLN N N 48 119.702 119.702 119.597 0.105 18808 139 1 . 1 1 48 48 GLN CA C 48 57.803 57.803 58.684 -0.880 18808 140 1 . 1 1 48 48 GLN CB C 48 28.555 28.555 28.341 0.214 18808 141 1 . 1 1 48 48 GLN H H 48 7.758 7.758 7.826 -0.068 18808 142 1 . 1 1 49 49 GLU N N 49 122.252 122.252 120.286 1.966 18808 143 1 . 1 1 49 49 GLU CA C 49 59.663 59.663 59.660 0.003 18808 144 1 . 1 1 49 49 GLU CB C 49 28.792 28.792 29.431 -0.640 18808 145 1 . 1 1 49 49 GLU H H 49 8.885 8.885 8.603 0.282 18808 146 1 . 1 1 50 50 ARG N N 50 118.823 118.823 118.847 -0.024 18808 147 1 . 1 1 50 50 ARG CA C 50 57.785 57.785 58.168 -0.383 18808 148 1 . 1 1 50 50 ARG CB C 50 27.889 27.889 29.432 -1.543 18808 149 1 . 1 1 50 50 ARG H H 50 7.925 7.925 7.632 0.293 18808 150 1 . 1 1 51 51 ALA N N 51 119.205 119.205 123.078 -3.873 18808 151 1 . 1 1 51 51 ALA CA C 51 54.557 54.557 55.017 -0.460 18808 152 1 . 1 1 51 51 ALA CB C 51 17.465 17.465 18.220 -0.755 18808 153 1 . 1 1 51 51 ALA H H 51 7.978 7.978 8.025 -0.047 18808 154 1 . 1 1 52 52 TYR N N 52 119.802 119.802 119.915 -0.114 18808 155 1 . 1 1 52 52 TYR CA C 52 61.401 61.401 61.397 0.004 18808 156 1 . 1 1 52 52 TYR H H 52 7.976 7.976 8.115 -0.139 18808 157 1 . 1 1 53 53 ILE N N 53 118.566 118.566 118.918 -0.352 18808 158 1 . 1 1 53 53 ILE CA C 53 63.981 63.981 64.422 -0.441 18808 159 1 . 1 1 53 53 ILE CB C 53 37.334 37.334 37.933 -0.599 18808 160 1 . 1 1 53 53 ILE H H 53 7.934 7.934 8.056 -0.122 18808 161 1 . 1 1 54 54 VAL N N 54 121.327 121.327 117.850 3.477 18808 162 1 . 1 1 54 54 VAL HA H 54 3.531 3.531 3.760 -0.229 18808 163 1 . 1 1 54 54 VAL CA C 54 66.363 66.363 65.697 0.666 18808 164 1 . 1 1 54 54 VAL H H 54 8.563 8.563 8.562 0.001 18808 165 1 . 1 1 55 55 GLN N N 55 119.475 119.475 120.682 -1.207 18808 166 1 . 1 1 55 55 GLN CA C 55 59.584 59.584 59.074 0.510 18808 167 1 . 1 1 55 55 GLN CB C 55 27.312 27.312 28.697 -1.385 18808 168 1 . 1 1 55 55 GLN H H 55 8.207 8.207 8.096 0.111 18808 169 1 . 1 1 56 56 LEU N N 56 120.914 120.914 118.225 2.689 18808 170 1 . 1 1 56 56 LEU H H 56 7.780 7.780 7.390 0.390 18808 171 1 . 1 1 57 57 GLN N N 57 122.652 122.652 118.985 3.667 18808 172 1 . 1 1 57 57 GLN CA C 57 58.722 58.722 58.614 0.108 18808 173 1 . 1 1 57 57 GLN H H 57 8.363 8.363 7.578 0.785 18808 174 1 . 1 1 58 58 ILE N N 58 120.955 120.955 121.170 -0.215 18808 175 1 . 1 1 58 58 ILE CA C 58 66.631 66.631 66.099 0.532 18808 176 1 . 1 1 58 58 ILE H H 58 8.876 8.876 8.671 0.205 18808 177 1 . 1 1 59 59 GLU N N 59 122.355 122.355 119.230 3.125 18808 178 1 . 1 1 59 59 GLU CA C 59 59.308 59.308 59.580 -0.272 18808 179 1 . 1 1 59 59 GLU CB C 59 29.193 29.193 29.047 0.146 18808 180 1 . 1 1 59 59 GLU H H 59 8.365 8.365 8.467 -0.102 18808 181 1 . 1 1 61 61 LEU CA C 61 57.885 57.885 58.107 -0.222 18808 182 1 . 1 1 62 62 THR N N 62 115.812 115.812 114.856 0.956 18808 183 1 . 1 1 62 62 THR HA H 62 3.804 3.804 3.931 -0.127 18808 184 1 . 1 1 62 62 THR CA C 62 67.067 67.067 66.886 0.181 18808 185 1 . 1 1 62 62 THR CB C 62 68.378 68.378 68.395 -0.017 18808 186 1 . 1 1 62 62 THR H H 62 8.417 8.417 8.317 0.100 18808 187 1 . 1 1 65 65 LEU N N 65 118.411 118.411 115.367 3.044 18808 188 1 . 1 1 65 65 LEU CA C 65 56.765 56.765 57.369 -0.604 18808 189 1 . 1 1 65 65 LEU H H 65 8.196 8.196 7.673 0.523 18808 190 1 . 1 1 66 66 ARG N N 66 119.024 119.024 118.131 0.893 18808 191 1 . 1 1 66 66 ARG CA C 66 57.751 57.751 58.467 -0.716 18808 192 1 . 1 1 66 66 ARG CB C 66 29.682 29.682 30.550 -0.868 18808 193 1 . 1 1 66 66 ARG H H 66 8.199 8.199 8.170 0.029 18808 194 1 . 1 1 67 67 THR N N 67 109.711 109.711 109.756 -0.045 18808 195 1 . 1 1 67 67 THR HA H 67 4.357 4.357 4.448 -0.091 18808 196 1 . 1 1 67 67 THR CA C 67 62.199 62.199 61.653 0.546 18808 197 1 . 1 1 67 67 THR CB C 67 70.266 70.266 70.110 0.156 18808 198 1 . 1 1 67 67 THR H H 67 7.993 7.993 8.100 -0.107 18808 199 1 . 1 1 68 68 GLY N N 68 110.782 110.782 110.631 0.152 18808 200 1 . 1 1 68 68 GLY CA C 68 45.519 45.519 45.069 0.450 18808 201 1 . 1 1 68 68 GLY H H 68 8.065 8.065 7.902 0.163 18808 202 1 . 1 1 69 69 ASP N N 69 121.620 121.620 120.358 1.262 18808 203 1 . 1 1 69 69 ASP CA C 69 53.196 53.196 53.889 -0.693 18808 204 1 . 1 1 69 69 ASP CB C 69 39.719 39.719 40.789 -1.070 18808 205 1 . 1 1 69 69 ASP H H 69 8.096 8.096 7.842 0.254 18808 206 1 . 1 1 70 70 LEU N N 70 120.862 120.862 125.403 -4.541 18808 207 1 . 1 1 70 70 LEU CA C 70 54.820 54.820 54.474 0.346 18808 208 1 . 1 1 70 70 LEU H H 70 8.023 8.023 7.713 0.310 18808 209 1 . 1 1 71 71 GLY N N 71 108.143 108.143 107.288 0.855 18808 210 1 . 1 1 71 71 GLY CA C 71 45.026 45.026 45.037 -0.010 18808 211 1 . 1 1 71 71 GLY H H 71 8.433 8.433 7.959 0.474 18808 212 1 . 1 1 72 72 ILE N N 72 121.288 121.288 121.645 -0.357 18808 213 1 . 1 1 72 72 ILE CA C 72 58.132 58.132 58.013 0.119 18808 214 1 . 1 1 72 72 ILE CB C 72 37.749 37.749 38.189 -0.440 18808 215 1 . 1 1 72 72 ILE H H 72 7.863 7.863 7.901 -0.038 18808 216 1 . 1 1 73 73 PRO HA H 73 4.665 4.665 4.687 -0.022 18808 217 1 . 1 1 73 73 PRO CA C 73 61.094 61.094 61.527 -0.433 18808 218 1 . 1 1 74 74 PRO CA C 74 62.599 62.599 63.620 -1.021 18808 219 1 . 1 1 74 74 PRO CB C 74 31.140 31.140 32.094 -0.954 18808 220 1 . 1 1 75 75 ASN N N 75 119.457 119.457 119.872 -0.415 18808 221 1 . 1 1 75 75 ASN HA H 75 4.972 4.972 4.869 0.103 18808 222 1 . 1 1 75 75 ASN CA C 75 50.708 50.708 51.671 -0.963 18808 223 1 . 1 1 75 75 ASN CB C 75 38.220 38.220 38.631 -0.411 18808 224 1 . 1 1 75 75 ASN H H 75 8.476 8.476 8.271 0.205 18808 225 1 . 1 1 76 76 PRO HA H 76 4.331 4.331 4.472 -0.141 18808 226 1 . 1 1 76 76 PRO CA C 76 63.643 63.643 63.356 0.287 18808 227 1 . 1 1 76 76 PRO CB C 76 31.191 31.191 32.276 -1.085 18808 228 1 . 1 1 77 77 GLU N N 77 118.567 118.567 120.459 -1.892 18808 229 1 . 1 1 77 77 GLU HA H 77 4.223 4.223 4.317 -0.094 18808 230 1 . 1 1 77 77 GLU CA C 77 56.457 56.457 56.352 0.106 18808 231 1 . 1 1 77 77 GLU CB C 77 28.811 28.811 30.230 -1.419 18808 232 1 . 1 1 77 77 GLU H H 77 8.491 8.491 8.260 0.231 18808 233 1 . 1 1 78 78 ASP N N 78 120.557 120.557 120.994 -0.437 18808 234 1 . 1 1 78 78 ASP CA C 78 54.073 54.073 54.250 -0.177 18808 235 1 . 1 1 78 78 ASP CB C 78 40.455 40.455 41.651 -1.196 18808 236 1 . 1 1 78 78 ASP H H 78 8.015 8.015 8.424 -0.409 18808 237 1 . 1 1 79 79 ARG N N 79 121.090 121.090 122.433 -1.343 18808 238 1 . 1 1 79 79 ARG CA C 79 55.406 55.406 56.501 -1.095 18808 239 1 . 1 1 79 79 ARG CB C 79 29.636 29.636 30.831 -1.195 18808 240 1 . 1 1 79 79 ARG H H 79 8.120 8.120 8.463 -0.343 18808 241 1 . 1 1 80 80 SER N N 80 118.342 118.342 116.822 1.520 18808 242 1 . 1 1 80 80 SER HA H 80 4.704 4.704 4.699 0.005 18808 243 1 . 1 1 80 80 SER CA C 80 56.232 56.232 56.540 -0.308 18808 244 1 . 1 1 80 80 SER CB C 80 62.761 62.761 64.090 -1.329 18808 245 1 . 1 1 80 80 SER H H 80 8.337 8.337 8.096 0.241 18808 246 1 . 1 1 81 81 PRO CA C 81 62.870 62.870 63.029 -0.160 18808 247 1 . 1 1 81 81 PRO CB C 81 31.134 31.134 32.252 -1.118 18808 248 1 . 1 1 82 82 SER N N 82 117.424 117.424 118.379 -0.955 18808 249 1 . 1 1 82 82 SER HA H 82 4.726 4.726 4.717 0.009 18808 250 1 . 1 1 82 82 SER CA C 82 55.808 55.808 56.598 -0.790 18808 251 1 . 1 1 82 82 SER CB C 82 62.903 62.903 63.906 -1.003 18808 252 1 . 1 1 82 82 SER H H 82 8.358 8.358 8.227 0.131 18808 253 1 . 1 1 83 83 PRO CA C 83 62.778 62.778 63.066 -0.288 18808 254 1 . 1 1 84 84 GLU N N 84 122.184 122.184 121.681 0.503 18808 255 1 . 1 1 84 84 GLU HA H 84 4.539 4.539 4.551 -0.012 18808 256 1 . 1 1 84 84 GLU CA C 84 53.934 53.934 54.662 -0.728 18808 257 1 . 1 1 84 84 GLU CB C 84 28.861 28.861 30.159 -1.298 18808 258 1 . 1 1 84 84 GLU H H 84 8.295 8.295 8.478 -0.183 18808 259 1 . 1 1 85 85 PRO CA C 85 62.675 62.675 63.128 -0.453 18808 260 1 . 1 1 85 85 PRO CB C 85 31.123 31.123 31.890 -0.767 18808 261 1 . 1 1 86 86 ILE N N 86 120.522 120.522 119.699 0.823 18808 262 1 . 1 1 86 86 ILE CA C 86 60.553 60.553 60.842 -0.289 18808 263 1 . 1 1 86 86 ILE CB C 86 38.305 38.305 38.383 -0.078 18808 264 1 . 1 1 86 86 ILE H H 86 8.052 8.052 7.886 0.166 18808 265 1 . 1 1 87 87 TYR N N 87 123.178 123.178 127.195 -4.017 18808 266 1 . 1 1 87 87 TYR HA H 87 4.905 4.905 4.579 0.326 18808 267 1 . 1 1 87 87 TYR CA C 87 56.744 56.744 57.937 -1.194 18808 268 1 . 1 1 87 87 TYR CB C 87 39.324 39.324 39.492 -0.168 18808 269 1 . 1 1 87 87 TYR H H 87 8.272 8.272 8.446 -0.174 18808 270 1 . 1 1 88 88 ASN N N 88 120.123 120.123 122.285 -2.162 18808 271 1 . 1 1 88 88 ASN HA H 88 4.801 4.801 4.756 0.045 18808 272 1 . 1 1 88 88 ASN CA C 88 51.734 51.734 52.705 -0.971 18808 273 1 . 1 1 88 88 ASN CB C 88 38.209 38.209 39.247 -1.037 18808 274 1 . 1 1 88 88 ASN H H 88 8.466 8.466 8.311 0.155 18808 275 1 . 1 1 89 89 SER N N 89 115.872 115.872 117.404 -1.532 18808 276 1 . 1 1 89 89 SER HA H 89 4.276 4.276 4.257 0.019 18808 277 1 . 1 1 89 89 SER CA C 89 59.589 59.589 59.708 -0.119 18808 278 1 . 1 1 89 89 SER CB C 89 62.695 62.695 63.691 -0.996 18808 279 1 . 1 1 89 89 SER H H 89 8.460 8.460 8.578 -0.118 18808 280 1 . 1 1 90 90 GLU CA C 90 56.320 56.320 56.312 0.008 18808 281 1 . 1 1 90 90 GLU CB C 90 29.074 29.074 29.932 -0.858 18808 282 1 . 1 1 91 91 GLY N N 91 108.520 108.520 109.709 -1.189 18808 283 1 . 1 1 91 91 GLY CA C 91 45.175 45.175 44.898 0.277 18808 284 1 . 1 1 91 91 GLY H H 91 8.245 8.245 8.231 0.014 18808 285 1 . 1 1 92 92 LYS N N 92 120.880 120.880 121.056 -0.176 18808 286 1 . 1 1 92 92 LYS CA C 92 55.393 55.393 56.137 -0.744 18808 287 1 . 1 1 92 92 LYS CB C 92 32.047 32.047 33.076 -1.029 18808 288 1 . 1 1 92 92 LYS H H 92 8.022 8.022 8.176 -0.154 18808 289 1 . 1 1 93 93 ARG N N 93 123.484 123.484 121.293 2.191 18808 290 1 . 1 1 93 93 ARG HA H 93 4.230 4.230 4.360 -0.130 18808 291 1 . 1 1 93 93 ARG CA C 93 55.894 55.894 56.245 -0.350 18808 292 1 . 1 1 93 93 ARG CB C 93 30.480 30.480 30.457 0.023 18808 293 1 . 1 1 93 93 ARG H H 93 8.476 8.476 8.290 0.186 18808 294 1 . 1 1 94 94 LEU N N 94 124.336 124.336 120.773 3.563 18808 295 1 . 1 1 94 94 LEU HA H 94 4.323 4.323 4.390 -0.067 18808 296 1 . 1 1 94 94 LEU CA C 94 54.606 54.606 54.829 -0.223 18808 297 1 . 1 1 94 94 LEU H H 94 8.391 8.391 8.034 0.357 18808 298 1 . 1 1 95 95 ASN N N 95 119.662 119.662 118.256 1.406 18808 299 1 . 1 1 95 95 ASN HA H 95 4.793 4.793 4.833 -0.040 18808 300 1 . 1 1 95 95 ASN CA C 95 52.490 52.490 53.345 -0.855 18808 301 1 . 1 1 95 95 ASN CB C 95 38.070 38.070 39.127 -1.057 18808 302 1 . 1 1 95 95 ASN H H 95 8.533 8.533 8.137 0.396 18808 303 1 . 1 1 96 96 THR N N 96 114.180 114.180 116.633 -2.453 18808 304 1 . 1 1 96 96 THR CA C 96 62.469 62.469 63.750 -1.281 18808 305 1 . 1 1 96 96 THR H H 96 8.128 8.128 8.399 -0.271 18808 306 1 . 1 1 97 97 ARG N N 97 122.577 122.577 122.422 0.154 18808 307 1 . 1 1 97 97 ARG CA C 97 58.053 58.053 59.732 -1.679 18808 308 1 . 1 1 97 97 ARG H H 97 8.626 8.626 8.588 0.038 18808 309 1 . 1 1 98 98 GLU N N 98 121.594 121.594 120.790 0.803 18808 310 1 . 1 1 98 98 GLU CA C 98 58.320 58.320 59.658 -1.338 18808 311 1 . 1 1 98 98 GLU H H 98 8.607 8.607 8.675 -0.068 18808 312 1 . 1 1 100 100 ARG CA C 100 58.113 58.113 60.050 -1.937 18808 313 1 . 1 1 101 101 THR N N 101 115.806 115.806 116.417 -0.611 18808 314 1 . 1 1 101 101 THR HA H 101 3.987 3.987 4.021 -0.034 18808 315 1 . 1 1 101 101 THR CA C 101 64.627 64.627 66.679 -2.052 18808 316 1 . 1 1 101 101 THR H H 101 8.091 8.091 7.970 0.121 18808 317 1 . 1 1 102 102 ARG N N 102 122.017 122.017 120.721 1.296 18808 318 1 . 1 1 102 102 ARG CA C 102 60.055 60.055 59.840 0.215 18808 319 1 . 1 1 102 102 ARG H H 102 8.430 8.430 8.429 0.001 18808 320 1 . 1 1 103 103 LYS N N 103 117.689 117.689 119.771 -2.082 18808 321 1 . 1 1 103 103 LYS CA C 103 58.573 58.573 58.212 0.361 18808 322 1 . 1 1 103 103 LYS H H 103 7.975 7.975 8.265 -0.290 18808 323 1 . 1 1 104 104 LYS N N 104 119.765 119.765 119.841 -0.076 18808 324 1 . 1 1 104 104 LYS CA C 104 58.500 58.500 58.691 -0.191 18808 325 1 . 1 1 104 104 LYS CB C 104 31.083 31.083 31.774 -0.691 18808 326 1 . 1 1 104 104 LYS H H 104 7.674 7.674 7.564 0.110 18808 327 1 . 1 1 105 105 LEU N N 105 120.812 120.812 118.932 1.880 18808 328 1 . 1 1 105 105 LEU CA C 105 57.813 57.813 58.134 -0.321 18808 329 1 . 1 1 105 105 LEU H H 105 8.120 8.120 7.920 0.200 18808 330 1 . 1 1 106 106 GLU N N 106 118.877 118.877 118.883 -0.007 18808 331 1 . 1 1 106 106 GLU CA C 106 59.150 59.150 59.741 -0.591 18808 332 1 . 1 1 106 106 GLU CB C 106 29.012 29.012 29.197 -0.185 18808 333 1 . 1 1 106 106 GLU H H 106 8.707 8.707 8.011 0.696 18808 334 1 . 1 1 107 107 GLU N N 107 122.176 122.176 118.947 3.229 18808 335 1 . 1 1 107 107 GLU H H 107 8.357 8.357 8.224 0.133 18808 336 1 . 1 1 108 108 GLU N N 108 121.565 121.565 119.707 1.858 18808 337 1 . 1 1 108 108 GLU H H 108 8.322 8.322 8.036 0.286 18808 338 1 . 1 1 109 109 ARG N N 109 118.431 118.431 119.908 -1.477 18808 339 1 . 1 1 109 109 ARG H H 109 8.613 8.613 8.235 0.378 18808 340 1 . 1 1 110 110 HIS N N 110 119.577 119.577 118.427 1.150 18808 341 1 . 1 1 110 110 HIS CA C 110 60.031 60.031 59.206 0.825 18808 342 1 . 1 1 110 110 HIS H H 110 8.541 8.541 8.621 -0.080 18808 343 1 . 1 1 111 111 ASN N N 111 119.551 119.551 118.467 1.084 18808 344 1 . 1 1 111 111 ASN CB C 111 36.981 36.981 38.326 -1.345 18808 345 1 . 1 1 111 111 ASN H H 111 8.401 8.401 8.190 0.211 18808 346 1 . 1 1 112 112 LEU N N 112 121.995 121.995 119.962 2.034 18808 347 1 . 1 1 112 112 LEU CA C 112 57.434 57.434 57.712 -0.278 18808 348 1 . 1 1 112 112 LEU H H 112 8.088 8.088 7.606 0.482 18808 349 1 . 1 1 113 113 ILE N N 113 121.510 121.510 120.833 0.677 18808 350 1 . 1 1 113 113 ILE CA C 113 65.489 65.489 64.699 0.790 18808 351 1 . 1 1 113 113 ILE H H 113 8.527 8.527 8.623 -0.096 18808 352 1 . 1 1 114 114 THR N N 114 115.127 115.127 115.827 -0.700 18808 353 1 . 1 1 114 114 THR HA H 114 3.748 3.748 3.968 -0.220 18808 354 1 . 1 1 114 114 THR CA C 114 66.173 66.173 67.562 -1.389 18808 355 1 . 1 1 114 114 THR CB C 114 68.210 68.210 68.289 -0.079 18808 356 1 . 1 1 114 114 THR H H 114 8.102 8.102 8.443 -0.341 18808 357 1 . 1 1 115 115 GLU N N 115 123.316 123.316 122.156 1.160 18808 358 1 . 1 1 115 115 GLU CA C 115 58.663 58.663 59.235 -0.573 18808 359 1 . 1 1 115 115 GLU CB C 115 28.390 28.390 29.530 -1.140 18808 360 1 . 1 1 115 115 GLU H H 115 7.473 7.473 7.527 -0.055 18808 361 1 . 1 1 116 116 MET N N 116 119.934 119.934 119.957 -0.023 18808 362 1 . 1 1 116 116 MET CA C 116 56.561 56.561 59.238 -2.677 18808 363 1 . 1 1 116 116 MET H H 116 8.442 8.442 8.521 -0.079 18808 364 1 . 1 1 117 117 VAL N N 117 117.688 117.688 119.874 -2.186 18808 365 1 . 1 1 117 117 VAL HA H 117 3.946 3.946 4.183 -0.237 18808 366 1 . 1 1 117 117 VAL CA C 117 61.989 61.989 66.167 -4.178 18808 367 1 . 1 1 117 117 VAL H H 117 8.332 8.332 8.645 -0.313 18808 368 1 . 1 1 118 118 ALA N N 118 120.568 120.568 121.922 -1.354 18808 369 1 . 1 1 118 118 ALA HA H 118 4.173 4.173 4.146 0.027 18808 370 1 . 1 1 118 118 ALA CA C 118 53.531 53.531 54.879 -1.348 18808 371 1 . 1 1 118 118 ALA CB C 118 17.606 17.606 18.667 -1.061 18808 372 1 . 1 1 118 118 ALA H H 118 7.143 7.143 7.511 -0.368 18808 373 1 . 1 1 119 119 LEU N N 119 118.032 118.032 118.064 -0.032 18808 374 1 . 1 1 119 119 LEU CA C 119 56.245 56.245 56.538 -0.293 18808 375 1 . 1 1 119 119 LEU H H 119 7.585 7.585 8.065 -0.480 18808 376 1 . 1 1 120 120 ASN N N 120 115.407 115.407 115.623 -0.216 18808 377 1 . 1 1 120 120 ASN HA H 120 5.065 5.065 5.138 -0.073 18808 378 1 . 1 1 120 120 ASN CA C 120 49.613 49.613 50.086 -0.473 18808 379 1 . 1 1 120 120 ASN CB C 120 38.651 38.651 39.981 -1.330 18808 380 1 . 1 1 120 120 ASN H H 120 8.512 8.512 8.132 0.380 18808 381 1 . 1 1 121 121 PRO HA H 121 4.711 4.711 4.571 0.140 18808 382 1 . 1 1 121 121 PRO CA C 121 63.796 63.796 64.609 -0.813 18808 383 1 . 1 1 121 121 PRO CB C 121 31.383 31.383 32.351 -0.968 18808 384 1 . 1 1 122 122 ASP N N 122 115.768 115.768 117.435 -1.667 18808 385 1 . 1 1 122 122 ASP CA C 122 53.863 53.863 53.725 0.137 18808 386 1 . 1 1 122 122 ASP CB C 122 40.647 40.647 41.569 -0.922 18808 387 1 . 1 1 122 122 ASP H H 122 7.676 7.676 7.998 -0.322 18808 388 1 . 1 1 123 123 PHE N N 123 122.733 122.733 121.742 0.991 18808 389 1 . 1 1 123 123 PHE HA H 123 4.181 4.181 4.384 -0.203 18808 390 1 . 1 1 123 123 PHE CA C 123 58.501 58.501 58.738 -0.237 18808 391 1 . 1 1 123 123 PHE CB C 123 38.660 38.660 39.654 -0.994 18808 392 1 . 1 1 123 123 PHE H H 123 7.989 7.989 7.445 0.544 18808 393 1 . 1 1 124 124 LYS N N 124 129.392 129.392 128.587 0.805 18808 394 1 . 1 1 124 124 LYS HA H 124 4.592 4.592 4.378 0.214 18808 395 1 . 1 1 124 124 LYS CA C 124 51.210 51.210 51.974 -0.764 18808 396 1 . 1 1 124 124 LYS CB C 124 31.495 31.495 31.898 -0.402 18808 397 1 . 1 1 124 124 LYS H H 124 7.686 7.686 8.311 -0.625 18808 398 1 . 1 1 125 125 PRO HA H 125 4.139 4.139 4.167 -0.028 18808 399 1 . 1 1 125 125 PRO CA C 125 60.556 60.556 61.250 -0.694 18808 400 1 . 1 1 126 126 PRO HA H 126 4.771 4.771 4.338 0.433 18808 401 1 . 1 1 126 126 PRO CA C 126 62.246 62.246 62.951 -0.706 18808 402 1 . 1 1 126 126 PRO CB C 126 31.352 31.352 32.221 -0.869 18808 403 1 . 1 1 127 127 ALA N N 127 123.830 123.830 123.823 0.007 18808 404 1 . 1 1 127 127 ALA HA H 127 4.105 4.105 4.130 -0.025 18808 405 1 . 1 1 127 127 ALA CA C 127 54.149 54.149 54.273 -0.124 18808 406 1 . 1 1 127 127 ALA CB C 127 18.076 18.076 18.854 -0.778 18808 407 1 . 1 1 127 127 ALA H H 127 8.691 8.691 8.511 0.180 18808 408 1 . 1 1 128 128 ASP N N 128 112.954 112.954 116.564 -3.610 18808 409 1 . 1 1 128 128 ASP CA C 128 53.203 53.203 54.486 -1.284 18808 410 1 . 1 1 128 128 ASP CB C 128 39.728 39.728 40.423 -0.695 18808 411 1 . 1 1 128 128 ASP H H 128 8.403 8.403 8.331 0.072 18808 412 1 . 1 1 129 129 TYR N N 129 121.200 121.200 121.469 -0.268 18808 413 1 . 1 1 129 129 TYR CA C 129 57.918 57.918 58.648 -0.730 18808 414 1 . 1 1 129 129 TYR CB C 129 38.075 38.075 38.967 -0.892 18808 415 1 . 1 1 129 129 TYR H H 129 7.650 7.650 7.414 0.235 18808 416 1 . 1 1 130 130 LYS N N 130 129.878 129.878 128.719 1.159 18808 417 1 . 1 1 130 130 LYS HA H 130 4.361 4.361 4.430 -0.069 18808 418 1 . 1 1 130 130 LYS CA C 130 52.063 52.063 52.519 -0.456 18808 419 1 . 1 1 130 130 LYS CB C 130 32.565 32.565 32.555 0.011 18808 420 1 . 1 1 130 130 LYS H H 130 7.784 7.784 7.951 -0.167 18808 421 1 . 1 1 132 132 PRO CA C 132 62.394 62.394 63.401 -1.007 18808 422 1 . 1 1 132 132 PRO CB C 132 29.945 29.945 31.836 -1.891 18808 423 1 . 1 1 133 133 ALA N N 133 124.238 124.238 122.816 1.422 18808 424 1 . 1 1 133 133 ALA HA H 133 4.293 4.293 4.357 -0.064 18808 425 1 . 1 1 133 133 ALA CA C 133 52.004 52.004 52.562 -0.558 18808 426 1 . 1 1 133 133 ALA CB C 133 18.521 18.521 19.336 -0.815 18808 427 1 . 1 1 133 133 ALA H H 133 8.375 8.375 8.086 0.289 18808 stop_ save_