data_25790 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25790 _Entry.PDB_ID 2N72 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 25790 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.421 0.026 25790 2 1 1 . 1 1 2 2 GLN C C 2 176.144 176.144 175.443 0.701 25790 3 1 1 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.969 0.240 25790 4 1 1 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.186 0.273 25790 5 1 1 . 1 1 3 3 GLN N N 3 122.052 122.052 125.571 -3.519 25790 6 1 1 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.404 -0.081 25790 7 1 1 . 1 1 3 3 GLN C C 3 176.988 176.988 177.078 -0.090 25790 8 1 1 . 1 1 3 3 GLN CA C 3 57.403 57.403 55.727 1.676 25790 9 1 1 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.971 0.268 25790 10 1 1 . 1 1 3 3 GLN H H 3 8.780 8.780 8.995 -0.215 25790 11 1 1 . 1 1 4 4 LYS N N 4 121.855 121.855 118.968 2.887 25790 12 1 1 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.133 -0.129 25790 13 1 1 . 1 1 4 4 LYS C C 4 177.638 177.638 178.870 -1.232 25790 14 1 1 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.340 0.899 25790 15 1 1 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.130 0.569 25790 16 1 1 . 1 1 4 4 LYS H H 4 8.528 8.528 8.399 0.129 25790 17 1 1 . 1 1 5 5 GLN N N 5 116.397 116.397 117.193 -0.796 25790 18 1 1 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.039 -0.098 25790 19 1 1 . 1 1 5 5 GLN C C 5 178.761 178.761 177.969 0.792 25790 20 1 1 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.315 1.034 25790 21 1 1 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.649 0.301 25790 22 1 1 . 1 1 5 5 GLN H H 5 8.223 8.223 8.487 -0.264 25790 23 1 1 . 1 1 6 6 GLN N N 6 119.262 119.262 118.953 0.309 25790 24 1 1 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.097 0.031 25790 25 1 1 . 1 1 6 6 GLN C C 6 179.018 179.018 178.484 0.534 25790 26 1 1 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.546 0.543 25790 27 1 1 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.421 0.289 25790 28 1 1 . 1 1 6 6 GLN H H 6 7.848 7.848 7.816 0.032 25790 29 1 1 . 1 1 7 7 ILE N N 7 121.296 121.296 120.139 1.157 25790 30 1 1 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.718 -0.135 25790 31 1 1 . 1 1 7 7 ILE C C 7 177.833 177.833 177.949 -0.116 25790 32 1 1 . 1 1 7 7 ILE CA C 7 65.129 65.129 65.099 0.030 25790 33 1 1 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.713 0.493 25790 34 1 1 . 1 1 7 7 ILE H H 7 8.095 8.095 7.590 0.505 25790 35 1 1 . 1 1 8 8 MET N N 8 117.603 117.603 118.823 -1.220 25790 36 1 1 . 1 1 8 8 MET HA H 8 3.985 3.985 4.048 -0.063 25790 37 1 1 . 1 1 8 8 MET C C 8 177.355 177.355 178.470 -1.115 25790 38 1 1 . 1 1 8 8 MET CA C 8 59.932 59.932 59.372 0.560 25790 39 1 1 . 1 1 8 8 MET CB C 8 32.721 32.721 32.063 0.658 25790 40 1 1 . 1 1 8 8 MET H H 8 8.672 8.672 7.501 1.171 25790 41 1 1 . 1 1 9 9 ALA N N 9 118.774 118.774 121.678 -2.904 25790 42 1 1 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.036 0.010 25790 43 1 1 . 1 1 9 9 ALA C C 9 180.546 180.546 179.221 1.325 25790 44 1 1 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.027 0.358 25790 45 1 1 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.935 -0.037 25790 46 1 1 . 1 1 9 9 ALA H H 9 7.795 7.795 7.907 -0.112 25790 47 1 1 . 1 1 10 10 ALA N N 10 120.854 120.854 121.853 -0.999 25790 48 1 1 . 1 1 10 10 ALA HA H 10 4.205 4.205 3.983 0.222 25790 49 1 1 . 1 1 10 10 ALA C C 10 181.200 181.200 179.500 1.700 25790 50 1 1 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.844 0.168 25790 51 1 1 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.472 0.789 25790 52 1 1 . 1 1 10 10 ALA H H 10 7.438 7.438 7.830 -0.392 25790 53 1 1 . 1 1 11 11 LEU N N 11 120.775 120.775 118.521 2.254 25790 54 1 1 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.731 0.017 25790 55 1 1 . 1 1 11 11 LEU C C 11 179.041 179.041 179.138 -0.097 25790 56 1 1 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.741 0.605 25790 57 1 1 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.257 -1.280 25790 58 1 1 . 1 1 11 11 LEU H H 11 8.757 8.757 8.419 0.338 25790 59 1 1 . 1 1 12 12 ASN N N 12 116.313 116.313 118.665 -2.352 25790 60 1 1 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.393 0.171 25790 61 1 1 . 1 1 12 12 ASN C C 12 178.900 178.900 177.588 1.312 25790 62 1 1 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.776 -2.711 25790 63 1 1 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.671 -1.678 25790 64 1 1 . 1 1 12 12 ASN H H 12 8.850 8.850 8.188 0.662 25790 65 1 1 . 1 1 13 13 SER N N 13 114.747 114.747 115.394 -0.647 25790 66 1 1 . 1 1 13 13 SER HA H 13 4.370 4.370 4.143 0.227 25790 67 1 1 . 1 1 13 13 SER C C 13 176.515 176.515 176.223 0.292 25790 68 1 1 . 1 1 13 13 SER CA C 13 61.141 61.141 61.025 0.116 25790 69 1 1 . 1 1 13 13 SER CB C 13 63.044 63.044 63.100 -0.056 25790 70 1 1 . 1 1 13 13 SER H H 13 7.672 7.672 7.691 -0.019 25790 71 1 1 . 1 1 14 14 GLN N N 14 119.954 119.954 117.989 1.965 25790 72 1 1 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.144 0.074 25790 73 1 1 . 1 1 14 14 GLN C C 14 178.208 178.208 177.486 0.722 25790 74 1 1 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.780 -0.031 25790 75 1 1 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.198 -0.498 25790 76 1 1 . 1 1 14 14 GLN H H 14 7.573 7.573 7.702 -0.129 25790 77 1 1 . 1 1 15 15 THR N N 15 107.493 107.493 107.460 0.033 25790 78 1 1 . 1 1 15 15 THR HA H 15 3.899 3.899 4.311 -0.412 25790 79 1 1 . 1 1 15 15 THR C C 15 174.683 174.683 174.994 -0.311 25790 80 1 1 . 1 1 15 15 THR CA C 15 61.551 61.551 60.915 0.636 25790 81 1 1 . 1 1 15 15 THR CB C 15 69.226 69.226 69.751 -0.525 25790 82 1 1 . 1 1 15 15 THR H H 15 7.741 7.741 7.825 -0.084 25790 83 1 1 . 1 1 16 16 ALA N N 16 124.034 124.034 126.413 -2.379 25790 84 1 1 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.015 0.120 25790 85 1 1 . 1 1 16 16 ALA C C 16 179.899 179.899 178.499 1.400 25790 86 1 1 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.802 0.405 25790 87 1 1 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.936 0.788 25790 88 1 1 . 1 1 16 16 ALA H H 16 6.873 6.873 7.634 -0.761 25790 89 1 1 . 1 1 17 17 VAL N N 17 117.150 117.150 118.508 -1.358 25790 90 1 1 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.808 -0.094 25790 91 1 1 . 1 1 17 17 VAL C C 17 178.537 178.537 177.430 1.107 25790 92 1 1 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.831 1.677 25790 93 1 1 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.026 0.667 25790 94 1 1 . 1 1 17 17 VAL H H 17 8.162 8.162 8.387 -0.225 25790 95 1 1 . 1 1 18 18 GLN N N 18 119.489 119.489 120.641 -1.152 25790 96 1 1 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.024 0.033 25790 97 1 1 . 1 1 18 18 GLN C C 18 180.429 180.429 178.546 1.883 25790 98 1 1 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.237 0.462 25790 99 1 1 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.357 0.829 25790 100 1 1 . 1 1 18 18 GLN H H 18 8.451 8.451 8.113 0.338 25790 101 1 1 . 1 1 19 19 PHE N N 19 117.940 117.940 117.695 0.245 25790 102 1 1 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.602 0.228 25790 103 1 1 . 1 1 19 19 PHE C C 19 177.858 177.858 177.900 -0.042 25790 104 1 1 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.881 -0.852 25790 105 1 1 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.551 -2.646 25790 106 1 1 . 1 1 19 19 PHE H H 19 8.924 8.924 8.461 0.463 25790 107 1 1 . 1 1 20 20 GLN N N 20 120.297 120.297 121.394 -1.097 25790 108 1 1 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.941 0.165 25790 109 1 1 . 1 1 20 20 GLN C C 20 178.986 178.986 178.183 0.803 25790 110 1 1 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.830 -0.267 25790 111 1 1 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.604 -0.709 25790 112 1 1 . 1 1 20 20 GLN H H 20 8.264 8.264 8.284 -0.020 25790 113 1 1 . 1 1 21 21 GLN N N 21 118.595 118.595 117.588 1.007 25790 114 1 1 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.069 0.013 25790 115 1 1 . 1 1 21 21 GLN C C 21 178.806 178.806 178.626 0.180 25790 116 1 1 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.752 0.418 25790 117 1 1 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.514 -0.318 25790 118 1 1 . 1 1 21 21 GLN H H 21 8.527 8.527 8.077 0.450 25790 119 1 1 . 1 1 22 22 TYR N N 22 119.594 119.594 120.657 -1.063 25790 120 1 1 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.124 0.123 25790 121 1 1 . 1 1 22 22 TYR C C 22 177.789 177.789 176.923 0.866 25790 122 1 1 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.878 0.834 25790 123 1 1 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.356 0.368 25790 124 1 1 . 1 1 22 22 TYR H H 22 7.843 7.843 7.564 0.279 25790 125 1 1 . 1 1 23 23 ALA N N 23 120.663 120.663 121.022 -0.359 25790 126 1 1 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.683 0.174 25790 127 1 1 . 1 1 23 23 ALA C C 23 179.319 179.319 179.084 0.235 25790 128 1 1 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.831 0.758 25790 129 1 1 . 1 1 23 23 ALA CB C 23 18.482 18.482 17.991 0.491 25790 130 1 1 . 1 1 23 23 ALA H H 23 8.612 8.612 8.635 -0.023 25790 131 1 1 . 1 1 24 24 ALA N N 24 119.002 119.002 119.518 -0.516 25790 132 1 1 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.063 -0.125 25790 133 1 1 . 1 1 24 24 ALA C C 24 178.987 178.987 178.723 0.264 25790 134 1 1 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.308 0.009 25790 135 1 1 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.465 -0.574 25790 136 1 1 . 1 1 24 24 ALA H H 24 8.168 8.168 8.115 0.053 25790 137 1 1 . 1 1 25 25 GLN N N 25 115.599 115.599 116.480 -0.881 25790 138 1 1 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.040 -0.036 25790 139 1 1 . 1 1 25 25 GLN C C 25 177.818 177.818 177.507 0.311 25790 140 1 1 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.114 -0.660 25790 141 1 1 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.706 -0.251 25790 142 1 1 . 1 1 25 25 GLN H H 25 7.300 7.300 7.490 -0.190 25790 143 1 1 . 1 1 26 26 GLN N N 26 116.989 116.989 116.886 0.103 25790 144 1 1 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.958 -0.254 25790 145 1 1 . 1 1 26 26 GLN C C 26 175.979 175.979 176.099 -0.120 25790 146 1 1 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.012 -0.224 25790 147 1 1 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.806 -0.726 25790 148 1 1 . 1 1 26 26 GLN H H 26 7.401 7.401 7.219 0.182 25790 149 1 1 . 1 1 27 27 TYR N N 27 114.712 114.712 117.841 -3.129 25790 150 1 1 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.975 0.103 25790 151 1 1 . 1 1 27 27 TYR C C 27 172.931 172.931 173.699 -0.768 25790 152 1 1 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.108 1.059 25790 153 1 1 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.057 1.603 25790 154 1 1 . 1 1 27 27 TYR H H 27 7.675 7.675 8.282 -0.607 25790 155 1 1 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.468 -0.106 25790 156 1 1 . 1 1 28 28 PRO C C 28 179.333 179.333 177.876 1.457 25790 157 1 1 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.969 0.425 25790 158 1 1 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.488 -1.234 25790 159 1 1 . 1 1 29 29 GLY N N 29 110.091 110.091 112.484 -2.393 25790 160 1 1 . 1 1 29 29 GLY C C 29 173.218 173.218 174.348 -1.130 25790 161 1 1 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.215 0.697 25790 162 1 1 . 1 1 29 29 GLY H H 29 8.826 8.826 8.696 0.130 25790 163 1 1 . 1 1 30 30 ASN N N 30 118.603 118.603 121.304 -2.701 25790 164 1 1 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.021 -0.022 25790 165 1 1 . 1 1 30 30 ASN C C 30 173.977 173.977 174.396 -0.419 25790 166 1 1 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.910 -0.725 25790 167 1 1 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.642 -0.216 25790 168 1 1 . 1 1 30 30 ASN H H 30 7.293 7.293 7.801 -0.508 25790 169 1 1 . 1 1 31 31 TYR N N 31 125.240 125.240 125.779 -0.539 25790 170 1 1 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.271 -0.373 25790 171 1 1 . 1 1 31 31 TYR C C 31 177.343 177.343 176.509 0.834 25790 172 1 1 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.292 -0.481 25790 173 1 1 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.877 -0.520 25790 174 1 1 . 1 1 31 31 TYR H H 31 8.509 8.509 8.310 0.199 25790 175 1 1 . 1 1 32 32 GLU N N 32 118.993 118.993 117.493 1.500 25790 176 1 1 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.732 0.168 25790 177 1 1 . 1 1 32 32 GLU C C 32 179.549 179.549 178.779 0.770 25790 178 1 1 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.303 0.809 25790 179 1 1 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.220 0.948 25790 180 1 1 . 1 1 32 32 GLU H H 32 8.714 8.714 8.893 -0.179 25790 181 1 1 . 1 1 33 33 GLN N N 33 117.037 117.037 118.992 -1.955 25790 182 1 1 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.989 -0.256 25790 183 1 1 . 1 1 33 33 GLN C C 33 179.119 179.119 178.779 0.340 25790 184 1 1 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.407 -0.706 25790 185 1 1 . 1 1 33 33 GLN CB C 33 27.626 27.626 28.043 -0.417 25790 186 1 1 . 1 1 33 33 GLN H H 33 7.536 7.536 7.691 -0.155 25790 187 1 1 . 1 1 34 34 GLN N N 34 117.723 117.723 119.692 -1.969 25790 188 1 1 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.071 -0.260 25790 189 1 1 . 1 1 34 34 GLN C C 34 177.634 177.634 178.585 -0.951 25790 190 1 1 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.654 0.511 25790 191 1 1 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.501 -1.000 25790 192 1 1 . 1 1 34 34 GLN H H 34 7.968 7.968 8.468 -0.500 25790 193 1 1 . 1 1 35 35 GLN N N 35 115.293 115.293 118.474 -3.181 25790 194 1 1 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.042 -0.251 25790 195 1 1 . 1 1 35 35 GLN C C 35 178.757 178.757 178.636 0.121 25790 196 1 1 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.200 0.410 25790 197 1 1 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.213 -0.008 25790 198 1 1 . 1 1 35 35 GLN H H 35 7.870 7.870 7.608 0.262 25790 199 1 1 . 1 1 36 36 ILE N N 36 120.769 120.769 120.908 -0.139 25790 200 1 1 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.678 -0.114 25790 201 1 1 . 1 1 36 36 ILE C C 36 178.273 178.273 178.150 0.123 25790 202 1 1 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.112 0.123 25790 203 1 1 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.764 0.609 25790 204 1 1 . 1 1 36 36 ILE H H 36 7.503 7.503 7.576 -0.073 25790 205 1 1 . 1 1 37 37 LEU N N 37 121.056 121.056 122.039 -0.983 25790 206 1 1 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.114 0.195 25790 207 1 1 . 1 1 37 37 LEU C C 37 178.348 178.348 178.479 -0.131 25790 208 1 1 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.128 -0.394 25790 209 1 1 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.950 -0.434 25790 210 1 1 . 1 1 37 37 LEU H H 37 7.678 7.678 8.253 -0.575 25790 211 1 1 . 1 1 38 38 ILE N N 38 119.334 119.334 118.872 0.462 25790 212 1 1 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.490 -0.149 25790 213 1 1 . 1 1 38 38 ILE C C 38 177.371 177.371 177.859 -0.488 25790 214 1 1 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.650 1.435 25790 215 1 1 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.552 0.797 25790 216 1 1 . 1 1 38 38 ILE H H 38 8.702 8.702 7.964 0.738 25790 217 1 1 . 1 1 39 39 ARG N N 39 117.798 117.798 120.260 -2.462 25790 218 1 1 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.098 0.117 25790 219 1 1 . 1 1 39 39 ARG C C 39 179.555 179.555 178.702 0.853 25790 220 1 1 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.669 -0.210 25790 221 1 1 . 1 1 39 39 ARG CB C 39 29.752 29.752 30.005 -0.253 25790 222 1 1 . 1 1 39 39 ARG H H 39 7.739 7.739 8.084 -0.345 25790 223 1 1 . 1 1 40 40 GLN N N 40 119.432 119.432 119.161 0.271 25790 224 1 1 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.125 0.012 25790 225 1 1 . 1 1 40 40 GLN C C 40 179.522 179.522 178.438 1.084 25790 226 1 1 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.784 0.476 25790 227 1 1 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.693 -0.335 25790 228 1 1 . 1 1 40 40 GLN H H 40 7.811 7.811 7.570 0.241 25790 229 1 1 . 1 1 41 41 LEU N N 41 121.592 121.592 120.466 1.126 25790 230 1 1 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.723 -0.036 25790 231 1 1 . 1 1 41 41 LEU C C 41 178.974 178.974 179.100 -0.126 25790 232 1 1 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.770 0.193 25790 233 1 1 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.081 -1.229 25790 234 1 1 . 1 1 41 41 LEU H H 41 8.648 8.648 8.181 0.467 25790 235 1 1 . 1 1 42 42 GLN N N 42 119.054 119.054 117.763 1.291 25790 236 1 1 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.197 0.347 25790 237 1 1 . 1 1 42 42 GLN C C 42 180.176 180.176 178.573 1.603 25790 238 1 1 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.386 -0.152 25790 239 1 1 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.623 -0.704 25790 240 1 1 . 1 1 42 42 GLN H H 42 8.641 8.641 8.440 0.201 25790 241 1 1 . 1 1 43 43 GLU N N 43 121.517 121.517 120.427 1.090 25790 242 1 1 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.039 0.197 25790 243 1 1 . 1 1 43 43 GLU C C 43 179.721 179.721 178.803 0.918 25790 244 1 1 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.253 0.414 25790 245 1 1 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.587 -0.329 25790 246 1 1 . 1 1 43 43 GLU H H 43 8.111 8.111 7.692 0.419 25790 247 1 1 . 1 1 44 44 GLN N N 44 119.240 119.240 119.215 0.025 25790 248 1 1 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.209 -0.093 25790 249 1 1 . 1 1 44 44 GLN C C 44 179.012 179.012 178.108 0.904 25790 250 1 1 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.716 0.433 25790 251 1 1 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.850 0.004 25790 252 1 1 . 1 1 44 44 GLN H H 44 8.372 8.372 8.148 0.224 25790 253 1 1 . 1 1 45 45 HIS N N 45 121.705 121.705 119.709 1.996 25790 254 1 1 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.381 -0.101 25790 255 1 1 . 1 1 45 45 HIS C C 45 176.395 176.395 177.220 -0.825 25790 256 1 1 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.805 0.554 25790 257 1 1 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.240 2.085 25790 258 1 1 . 1 1 45 45 HIS H H 45 9.472 9.472 8.434 1.038 25790 259 1 1 . 1 1 46 46 TYR N N 46 119.039 119.039 120.060 -1.021 25790 260 1 1 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.277 -0.428 25790 261 1 1 . 1 1 46 46 TYR C C 46 176.664 176.664 177.945 -1.281 25790 262 1 1 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.459 -0.208 25790 263 1 1 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.419 -0.747 25790 264 1 1 . 1 1 46 46 TYR H H 46 8.253 8.253 8.324 -0.071 25790 265 1 1 . 1 1 47 47 GLN N N 47 116.407 116.407 117.911 -1.504 25790 266 1 1 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.937 -0.153 25790 267 1 1 . 1 1 47 47 GLN C C 47 179.048 179.048 178.098 0.950 25790 268 1 1 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.067 -0.118 25790 269 1 1 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.372 -0.191 25790 270 1 1 . 1 1 47 47 GLN H H 47 7.814 7.814 7.850 -0.036 25790 271 1 1 . 1 1 48 48 GLN N N 48 119.803 119.803 120.056 -0.253 25790 272 1 1 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.969 0.008 25790 273 1 1 . 1 1 48 48 GLN C C 48 177.741 177.741 178.231 -0.490 25790 274 1 1 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.891 -0.577 25790 275 1 1 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.613 -0.285 25790 276 1 1 . 1 1 48 48 GLN H H 48 8.645 8.645 7.624 1.021 25790 277 1 1 . 1 1 49 49 TYR N N 49 121.342 121.342 121.193 0.149 25790 278 1 1 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.150 -0.510 25790 279 1 1 . 1 1 49 49 TYR C C 49 176.021 176.021 177.879 -1.858 25790 280 1 1 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.686 0.423 25790 281 1 1 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.328 0.579 25790 282 1 1 . 1 1 49 49 TYR H H 49 9.105 9.105 8.570 0.535 25790 283 1 1 . 1 1 50 50 MET N N 50 115.522 115.522 118.153 -2.631 25790 284 1 1 . 1 1 50 50 MET HA H 50 4.040 4.040 3.997 0.043 25790 285 1 1 . 1 1 50 50 MET C C 50 179.841 179.841 178.405 1.436 25790 286 1 1 . 1 1 50 50 MET CA C 50 56.623 56.623 58.732 -2.109 25790 287 1 1 . 1 1 50 50 MET CB C 50 30.099 30.099 32.475 -2.376 25790 288 1 1 . 1 1 50 50 MET H H 50 8.060 8.060 8.083 -0.023 25790 289 1 1 . 1 1 51 51 GLN N N 51 118.942 118.942 117.878 1.064 25790 290 1 1 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.986 0.079 25790 291 1 1 . 1 1 51 51 GLN C C 51 178.707 178.707 178.579 0.128 25790 292 1 1 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.969 -0.028 25790 293 1 1 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.194 0.295 25790 294 1 1 . 1 1 51 51 GLN H H 51 7.830 7.830 7.863 -0.033 25790 295 1 1 . 1 1 52 52 GLN N N 52 119.210 119.210 120.386 -1.176 25790 296 1 1 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.039 0.018 25790 297 1 1 . 1 1 52 52 GLN C C 52 178.738 178.738 178.426 0.312 25790 298 1 1 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.899 -0.150 25790 299 1 1 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.498 -0.095 25790 300 1 1 . 1 1 52 52 GLN H H 52 8.187 8.187 8.056 0.131 25790 301 1 1 . 1 1 53 53 LEU N N 53 121.233 121.233 119.603 1.630 25790 302 1 1 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.840 0.001 25790 303 1 1 . 1 1 53 53 LEU C C 53 179.191 179.191 178.765 0.426 25790 304 1 1 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.515 0.230 25790 305 1 1 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.639 0.227 25790 306 1 1 . 1 1 53 53 LEU H H 53 8.441 8.441 7.885 0.556 25790 307 1 1 . 1 1 54 54 TYR N N 54 118.505 118.505 119.475 -0.970 25790 308 1 1 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.995 0.323 25790 309 1 1 . 1 1 54 54 TYR C C 54 177.535 177.535 177.160 0.375 25790 310 1 1 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.007 -1.530 25790 311 1 1 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.018 -0.232 25790 312 1 1 . 1 1 54 54 TYR H H 54 7.819 7.819 7.888 -0.069 25790 313 1 1 . 1 1 55 55 GLN N N 55 117.299 117.299 118.112 -0.813 25790 314 1 1 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.618 0.281 25790 315 1 1 . 1 1 55 55 GLN C C 55 179.041 179.041 178.275 0.766 25790 316 1 1 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.504 0.205 25790 317 1 1 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.581 -0.366 25790 318 1 1 . 1 1 55 55 GLN H H 55 7.735 7.735 7.543 0.192 25790 319 1 1 . 1 1 56 56 VAL N N 56 120.879 120.879 120.780 0.099 25790 320 1 1 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.606 0.186 25790 321 1 1 . 1 1 56 56 VAL C C 56 178.262 178.262 178.104 0.158 25790 322 1 1 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.270 -0.328 25790 323 1 1 . 1 1 56 56 VAL CB C 56 31.879 31.879 30.738 1.141 25790 324 1 1 . 1 1 56 56 VAL H H 56 8.014 8.014 8.023 -0.009 25790 325 1 1 . 1 1 57 57 GLN N N 57 120.513 120.513 119.159 1.354 25790 326 1 1 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.005 0.055 25790 327 1 1 . 1 1 57 57 GLN C C 57 178.772 178.772 179.062 -0.290 25790 328 1 1 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.116 -0.500 25790 329 1 1 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.486 -0.501 25790 330 1 1 . 1 1 57 57 GLN H H 57 8.103 8.103 8.122 -0.019 25790 331 1 1 . 1 1 58 58 LEU N N 58 121.244 121.244 119.354 1.890 25790 332 1 1 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.897 0.108 25790 333 1 1 . 1 1 58 58 LEU C C 58 179.134 179.134 178.606 0.528 25790 334 1 1 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.274 0.232 25790 335 1 1 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.262 0.541 25790 336 1 1 . 1 1 58 58 LEU H H 58 8.176 8.176 7.641 0.535 25790 337 1 1 . 1 1 59 59 ALA N N 59 121.608 121.608 122.019 -0.411 25790 338 1 1 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.845 0.320 25790 339 1 1 . 1 1 59 59 ALA C C 59 180.497 180.497 179.860 0.637 25790 340 1 1 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.231 -0.649 25790 341 1 1 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.969 0.084 25790 342 1 1 . 1 1 59 59 ALA H H 59 7.833 7.833 8.194 -0.361 25790 343 1 1 . 1 1 60 60 GLN N N 60 118.335 118.335 117.462 0.873 25790 344 1 1 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.929 0.219 25790 345 1 1 . 1 1 60 60 GLN C C 60 178.334 178.334 178.855 -0.521 25790 346 1 1 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.806 -0.829 25790 347 1 1 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.647 -0.212 25790 348 1 1 . 1 1 60 60 GLN H H 60 8.081 8.081 8.091 -0.010 25790 349 1 1 . 1 1 61 61 GLN N N 61 120.206 120.206 119.000 1.206 25790 350 1 1 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.954 0.208 25790 351 1 1 . 1 1 61 61 GLN C C 61 178.002 178.002 178.499 -0.497 25790 352 1 1 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.069 -1.164 25790 353 1 1 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.694 -0.115 25790 354 1 1 . 1 1 61 61 GLN H H 61 8.111 8.111 7.977 0.134 25790 355 1 1 . 1 1 62 62 GLN N N 62 118.980 118.980 117.761 1.219 25790 356 1 1 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.074 0.055 25790 357 1 1 . 1 1 62 62 GLN C C 62 177.624 177.624 178.172 -0.548 25790 358 1 1 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.490 -0.854 25790 359 1 1 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.144 0.492 25790 360 1 1 . 1 1 62 62 GLN H H 62 8.203 8.203 8.349 -0.146 25790 361 1 1 . 1 1 63 63 ALA N N 63 122.712 122.712 122.471 0.241 25790 362 1 1 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.129 0.077 25790 363 1 1 . 1 1 63 63 ALA C C 63 178.922 178.922 178.453 0.469 25790 364 1 1 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.437 -0.541 25790 365 1 1 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.099 0.360 25790 366 1 1 . 1 1 63 63 ALA H H 63 8.004 8.004 7.911 0.093 25790 367 1 1 . 1 1 64 64 ALA N N 64 120.813 120.813 120.040 0.773 25790 368 1 1 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.231 0.001 25790 369 1 1 . 1 1 64 64 ALA C C 64 178.732 178.732 178.494 0.238 25790 370 1 1 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.650 -0.134 25790 371 1 1 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.434 -0.804 25790 372 1 1 . 1 1 64 64 ALA H H 64 7.837 7.837 7.602 0.235 25790 373 1 1 . 1 1 65 65 LEU N N 65 119.196 119.196 118.016 1.180 25790 374 1 1 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.314 -0.057 25790 375 1 1 . 1 1 65 65 LEU C C 65 178.038 178.038 177.501 0.537 25790 376 1 1 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.441 0.381 25790 377 1 1 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.825 -0.561 25790 378 1 1 . 1 1 65 65 LEU H H 65 7.765 7.765 7.413 0.352 25790 379 1 1 . 1 1 66 66 GLN N N 66 119.365 119.365 114.773 4.592 25790 380 1 1 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.986 0.289 25790 381 1 1 . 1 1 66 66 GLN C C 66 176.120 176.120 175.909 0.211 25790 382 1 1 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.953 -0.886 25790 383 1 1 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.119 3.013 25790 384 1 1 . 1 1 66 66 GLN H H 66 7.967 7.967 8.247 -0.280 25790 385 1 1 . 1 1 67 67 LYS N N 67 121.521 121.521 116.416 5.105 25790 386 1 1 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.352 -0.043 25790 387 1 1 . 1 1 67 67 LYS C C 67 176.437 176.437 175.732 0.705 25790 388 1 1 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.297 0.091 25790 389 1 1 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.378 0.663 25790 390 1 1 . 1 1 67 67 LYS H H 67 8.053 8.053 8.246 -0.193 25790 391 1 1 . 1 1 68 68 GLN N N 68 121.970 121.970 118.533 3.437 25790 392 1 1 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.397 -0.058 25790 393 1 1 . 1 1 68 68 GLN C C 68 175.120 175.120 174.407 0.713 25790 394 1 1 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.053 0.947 25790 395 1 1 . 1 1 68 68 GLN CB C 68 29.498 29.498 31.517 -2.019 25790 396 1 1 . 1 1 68 68 GLN H H 68 8.314 8.314 7.572 0.742 25790 397 1 2 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.499 -0.052 25790 398 1 2 . 1 1 2 2 GLN C C 2 176.144 176.144 176.211 -0.067 25790 399 1 2 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.123 0.086 25790 400 1 2 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.497 -0.038 25790 401 1 2 . 1 1 3 3 GLN N N 3 122.052 122.052 121.601 0.451 25790 402 1 2 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.376 -0.053 25790 403 1 2 . 1 1 3 3 GLN C C 3 176.988 176.988 175.994 0.994 25790 404 1 2 . 1 1 3 3 GLN CA C 3 57.403 57.403 55.321 2.082 25790 405 1 2 . 1 1 3 3 GLN CB C 3 29.239 29.239 26.985 2.254 25790 406 1 2 . 1 1 3 3 GLN H H 3 8.780 8.780 8.487 0.293 25790 407 1 2 . 1 1 4 4 LYS N N 4 121.855 121.855 122.772 -0.917 25790 408 1 2 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.977 0.027 25790 409 1 2 . 1 1 4 4 LYS C C 4 177.638 177.638 177.882 -0.244 25790 410 1 2 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.609 0.630 25790 411 1 2 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.251 0.448 25790 412 1 2 . 1 1 4 4 LYS H H 4 8.528 8.528 7.984 0.544 25790 413 1 2 . 1 1 5 5 GLN N N 5 116.397 116.397 119.028 -2.631 25790 414 1 2 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.999 -0.058 25790 415 1 2 . 1 1 5 5 GLN C C 5 178.761 178.761 178.223 0.538 25790 416 1 2 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.475 0.874 25790 417 1 2 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.073 -0.123 25790 418 1 2 . 1 1 5 5 GLN H H 5 8.223 8.223 8.301 -0.078 25790 419 1 2 . 1 1 6 6 GLN N N 6 119.262 119.262 118.736 0.526 25790 420 1 2 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.057 0.071 25790 421 1 2 . 1 1 6 6 GLN C C 6 179.018 179.018 178.559 0.459 25790 422 1 2 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.805 0.284 25790 423 1 2 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.267 0.443 25790 424 1 2 . 1 1 6 6 GLN H H 6 7.848 7.848 7.870 -0.022 25790 425 1 2 . 1 1 7 7 ILE N N 7 121.296 121.296 120.102 1.194 25790 426 1 2 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.664 -0.081 25790 427 1 2 . 1 1 7 7 ILE C C 7 177.833 177.833 177.983 -0.150 25790 428 1 2 . 1 1 7 7 ILE CA C 7 65.129 65.129 65.011 0.118 25790 429 1 2 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.619 0.587 25790 430 1 2 . 1 1 7 7 ILE H H 7 8.095 8.095 7.343 0.752 25790 431 1 2 . 1 1 8 8 MET N N 8 117.603 117.603 118.828 -1.225 25790 432 1 2 . 1 1 8 8 MET HA H 8 3.985 3.985 3.949 0.036 25790 433 1 2 . 1 1 8 8 MET C C 8 177.355 177.355 178.237 -0.882 25790 434 1 2 . 1 1 8 8 MET CA C 8 59.932 59.932 59.320 0.612 25790 435 1 2 . 1 1 8 8 MET CB C 8 32.721 32.721 32.077 0.645 25790 436 1 2 . 1 1 8 8 MET H H 8 8.672 8.672 7.612 1.060 25790 437 1 2 . 1 1 9 9 ALA N N 9 118.774 118.774 121.596 -2.822 25790 438 1 2 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.958 0.088 25790 439 1 2 . 1 1 9 9 ALA C C 9 180.546 180.546 179.298 1.248 25790 440 1 2 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.096 0.288 25790 441 1 2 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.864 0.034 25790 442 1 2 . 1 1 9 9 ALA H H 9 7.795 7.795 8.327 -0.532 25790 443 1 2 . 1 1 10 10 ALA N N 10 120.854 120.854 121.535 -0.681 25790 444 1 2 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.016 0.189 25790 445 1 2 . 1 1 10 10 ALA C C 10 181.200 181.200 179.648 1.552 25790 446 1 2 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.823 0.189 25790 447 1 2 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.247 1.014 25790 448 1 2 . 1 1 10 10 ALA H H 10 7.438 7.438 7.724 -0.286 25790 449 1 2 . 1 1 11 11 LEU N N 11 120.775 120.775 118.599 2.176 25790 450 1 2 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.708 0.040 25790 451 1 2 . 1 1 11 11 LEU C C 11 179.041 179.041 179.379 -0.338 25790 452 1 2 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.783 0.563 25790 453 1 2 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.411 -1.434 25790 454 1 2 . 1 1 11 11 LEU H H 11 8.757 8.757 8.241 0.516 25790 455 1 2 . 1 1 12 12 ASN N N 12 116.313 116.313 117.955 -1.642 25790 456 1 2 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.437 0.127 25790 457 1 2 . 1 1 12 12 ASN C C 12 178.900 178.900 177.733 1.167 25790 458 1 2 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.525 -1.460 25790 459 1 2 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.657 -0.664 25790 460 1 2 . 1 1 12 12 ASN H H 12 8.850 8.850 8.588 0.262 25790 461 1 2 . 1 1 13 13 SER N N 13 114.747 114.747 115.564 -0.817 25790 462 1 2 . 1 1 13 13 SER HA H 13 4.370 4.370 4.148 0.222 25790 463 1 2 . 1 1 13 13 SER C C 13 176.515 176.515 176.174 0.341 25790 464 1 2 . 1 1 13 13 SER CA C 13 61.141 61.141 61.264 -0.123 25790 465 1 2 . 1 1 13 13 SER CB C 13 63.044 63.044 62.975 0.069 25790 466 1 2 . 1 1 13 13 SER H H 13 7.672 7.672 7.836 -0.164 25790 467 1 2 . 1 1 14 14 GLN N N 14 119.954 119.954 117.668 2.286 25790 468 1 2 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.154 0.064 25790 469 1 2 . 1 1 14 14 GLN C C 14 178.208 178.208 177.220 0.988 25790 470 1 2 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.008 -0.259 25790 471 1 2 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.245 -0.545 25790 472 1 2 . 1 1 14 14 GLN H H 14 7.573 7.573 7.428 0.145 25790 473 1 2 . 1 1 15 15 THR N N 15 107.493 107.493 107.507 -0.014 25790 474 1 2 . 1 1 15 15 THR HA H 15 3.899 3.899 4.273 -0.374 25790 475 1 2 . 1 1 15 15 THR C C 15 174.683 174.683 175.213 -0.530 25790 476 1 2 . 1 1 15 15 THR CA C 15 61.551 61.551 61.020 0.531 25790 477 1 2 . 1 1 15 15 THR CB C 15 69.226 69.226 69.678 -0.452 25790 478 1 2 . 1 1 15 15 THR H H 15 7.741 7.741 7.298 0.443 25790 479 1 2 . 1 1 16 16 ALA N N 16 124.034 124.034 125.933 -1.899 25790 480 1 2 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.984 0.151 25790 481 1 2 . 1 1 16 16 ALA C C 16 179.899 179.899 178.908 0.991 25790 482 1 2 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.556 0.651 25790 483 1 2 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.761 0.964 25790 484 1 2 . 1 1 16 16 ALA H H 16 6.873 6.873 7.904 -1.031 25790 485 1 2 . 1 1 17 17 VAL N N 17 117.150 117.150 118.183 -1.033 25790 486 1 2 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.753 -0.039 25790 487 1 2 . 1 1 17 17 VAL C C 17 178.537 178.537 177.046 1.491 25790 488 1 2 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.541 1.967 25790 489 1 2 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.410 0.283 25790 490 1 2 . 1 1 17 17 VAL H H 17 8.162 8.162 8.236 -0.074 25790 491 1 2 . 1 1 18 18 GLN N N 18 119.489 119.489 120.613 -1.124 25790 492 1 2 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.058 -0.001 25790 493 1 2 . 1 1 18 18 GLN C C 18 180.429 180.429 178.583 1.846 25790 494 1 2 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.179 0.520 25790 495 1 2 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.455 0.731 25790 496 1 2 . 1 1 18 18 GLN H H 18 8.451 8.451 8.050 0.401 25790 497 1 2 . 1 1 19 19 PHE N N 19 117.940 117.940 117.504 0.436 25790 498 1 2 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.548 0.282 25790 499 1 2 . 1 1 19 19 PHE C C 19 177.858 177.858 178.009 -0.151 25790 500 1 2 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.098 -1.069 25790 501 1 2 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.281 -2.376 25790 502 1 2 . 1 1 19 19 PHE H H 19 8.924 8.924 8.666 0.258 25790 503 1 2 . 1 1 20 20 GLN N N 20 120.297 120.297 121.047 -0.750 25790 504 1 2 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.969 0.137 25790 505 1 2 . 1 1 20 20 GLN C C 20 178.986 178.986 178.175 0.811 25790 506 1 2 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.749 -0.186 25790 507 1 2 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.553 -0.658 25790 508 1 2 . 1 1 20 20 GLN H H 20 8.264 8.264 7.813 0.451 25790 509 1 2 . 1 1 21 21 GLN N N 21 118.595 118.595 118.099 0.496 25790 510 1 2 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.084 -0.002 25790 511 1 2 . 1 1 21 21 GLN C C 21 178.806 178.806 178.575 0.231 25790 512 1 2 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.499 0.670 25790 513 1 2 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.284 -0.088 25790 514 1 2 . 1 1 21 21 GLN H H 21 8.527 8.527 7.943 0.584 25790 515 1 2 . 1 1 22 22 TYR N N 22 119.594 119.594 122.151 -2.557 25790 516 1 2 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.238 0.009 25790 517 1 2 . 1 1 22 22 TYR C C 22 177.789 177.789 177.410 0.379 25790 518 1 2 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.634 1.078 25790 519 1 2 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.333 0.391 25790 520 1 2 . 1 1 22 22 TYR H H 22 7.843 7.843 7.692 0.151 25790 521 1 2 . 1 1 23 23 ALA N N 23 120.663 120.663 121.180 -0.517 25790 522 1 2 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.634 0.223 25790 523 1 2 . 1 1 23 23 ALA C C 23 179.319 179.319 178.651 0.668 25790 524 1 2 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.840 0.749 25790 525 1 2 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.221 0.261 25790 526 1 2 . 1 1 23 23 ALA H H 23 8.612 8.612 8.564 0.048 25790 527 1 2 . 1 1 24 24 ALA N N 24 119.002 119.002 120.660 -1.658 25790 528 1 2 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.066 -0.128 25790 529 1 2 . 1 1 24 24 ALA C C 24 178.987 178.987 178.768 0.219 25790 530 1 2 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.294 0.023 25790 531 1 2 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.416 -0.525 25790 532 1 2 . 1 1 24 24 ALA H H 24 8.168 8.168 8.135 0.033 25790 533 1 2 . 1 1 25 25 GLN N N 25 115.599 115.599 116.579 -0.980 25790 534 1 2 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.037 -0.033 25790 535 1 2 . 1 1 25 25 GLN C C 25 177.818 177.818 178.009 -0.191 25790 536 1 2 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.143 -0.689 25790 537 1 2 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.858 -0.403 25790 538 1 2 . 1 1 25 25 GLN H H 25 7.300 7.300 7.547 -0.247 25790 539 1 2 . 1 1 26 26 GLN N N 26 116.989 116.989 116.825 0.164 25790 540 1 2 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.964 -0.260 25790 541 1 2 . 1 1 26 26 GLN C C 26 175.979 175.979 176.312 -0.333 25790 542 1 2 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.117 -0.329 25790 543 1 2 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.123 -1.043 25790 544 1 2 . 1 1 26 26 GLN H H 26 7.401 7.401 7.273 0.128 25790 545 1 2 . 1 1 27 27 TYR N N 27 114.712 114.712 117.716 -3.004 25790 546 1 2 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.963 0.115 25790 547 1 2 . 1 1 27 27 TYR C C 27 172.931 172.931 173.618 -0.687 25790 548 1 2 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.135 1.032 25790 549 1 2 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.013 1.647 25790 550 1 2 . 1 1 27 27 TYR H H 27 7.675 7.675 8.184 -0.509 25790 551 1 2 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.406 -0.044 25790 552 1 2 . 1 1 28 28 PRO C C 28 179.333 179.333 177.928 1.405 25790 553 1 2 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.970 0.424 25790 554 1 2 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.455 -1.201 25790 555 1 2 . 1 1 29 29 GLY N N 29 110.091 110.091 112.459 -2.368 25790 556 1 2 . 1 1 29 29 GLY C C 29 173.218 173.218 174.252 -1.034 25790 557 1 2 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.197 0.715 25790 558 1 2 . 1 1 29 29 GLY H H 29 8.826 8.826 8.709 0.117 25790 559 1 2 . 1 1 30 30 ASN N N 30 118.603 118.603 121.252 -2.649 25790 560 1 2 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.095 -0.096 25790 561 1 2 . 1 1 30 30 ASN C C 30 173.977 173.977 174.640 -0.663 25790 562 1 2 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.516 -0.330 25790 563 1 2 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.833 -0.407 25790 564 1 2 . 1 1 30 30 ASN H H 30 7.293 7.293 7.722 -0.429 25790 565 1 2 . 1 1 31 31 TYR N N 31 125.240 125.240 125.655 -0.415 25790 566 1 2 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.290 -0.392 25790 567 1 2 . 1 1 31 31 TYR C C 31 177.343 177.343 176.528 0.815 25790 568 1 2 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.047 -0.236 25790 569 1 2 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.891 -0.534 25790 570 1 2 . 1 1 31 31 TYR H H 31 8.509 8.509 8.512 -0.003 25790 571 1 2 . 1 1 32 32 GLU N N 32 118.993 118.993 116.516 2.477 25790 572 1 2 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.626 0.274 25790 573 1 2 . 1 1 32 32 GLU C C 32 179.549 179.549 178.434 1.115 25790 574 1 2 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.326 0.786 25790 575 1 2 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.013 1.155 25790 576 1 2 . 1 1 32 32 GLU H H 32 8.714 8.714 8.698 0.016 25790 577 1 2 . 1 1 33 33 GLN N N 33 117.037 117.037 118.611 -1.574 25790 578 1 2 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.973 -0.240 25790 579 1 2 . 1 1 33 33 GLN C C 33 179.119 179.119 178.718 0.401 25790 580 1 2 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.362 -0.660 25790 581 1 2 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.525 0.101 25790 582 1 2 . 1 1 33 33 GLN H H 33 7.536 7.536 8.273 -0.737 25790 583 1 2 . 1 1 34 34 GLN N N 34 117.723 117.723 119.420 -1.697 25790 584 1 2 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.121 -0.310 25790 585 1 2 . 1 1 34 34 GLN C C 34 177.634 177.634 178.650 -1.016 25790 586 1 2 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.510 0.655 25790 587 1 2 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.464 -0.963 25790 588 1 2 . 1 1 34 34 GLN H H 34 7.968 7.968 8.419 -0.451 25790 589 1 2 . 1 1 35 35 GLN N N 35 115.293 115.293 118.539 -3.246 25790 590 1 2 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.088 -0.297 25790 591 1 2 . 1 1 35 35 GLN C C 35 178.757 178.757 178.559 0.198 25790 592 1 2 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.090 0.520 25790 593 1 2 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.230 -0.025 25790 594 1 2 . 1 1 35 35 GLN H H 35 7.870 7.870 7.527 0.343 25790 595 1 2 . 1 1 36 36 ILE N N 36 120.769 120.769 121.192 -0.423 25790 596 1 2 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.658 -0.094 25790 597 1 2 . 1 1 36 36 ILE C C 36 178.273 178.273 178.122 0.151 25790 598 1 2 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.251 -0.015 25790 599 1 2 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.723 0.650 25790 600 1 2 . 1 1 36 36 ILE H H 36 7.503 7.503 7.785 -0.282 25790 601 1 2 . 1 1 37 37 LEU N N 37 121.056 121.056 121.457 -0.401 25790 602 1 2 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.055 0.254 25790 603 1 2 . 1 1 37 37 LEU C C 37 178.348 178.348 178.274 0.074 25790 604 1 2 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.174 -0.440 25790 605 1 2 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.735 -0.219 25790 606 1 2 . 1 1 37 37 LEU H H 37 7.678 7.678 7.990 -0.312 25790 607 1 2 . 1 1 38 38 ILE N N 38 119.334 119.334 118.971 0.363 25790 608 1 2 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.563 -0.222 25790 609 1 2 . 1 1 38 38 ILE C C 38 177.371 177.371 178.217 -0.846 25790 610 1 2 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.691 1.394 25790 611 1 2 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.626 0.723 25790 612 1 2 . 1 1 38 38 ILE H H 38 8.702 8.702 7.863 0.839 25790 613 1 2 . 1 1 39 39 ARG N N 39 117.798 117.798 119.203 -1.405 25790 614 1 2 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.070 0.145 25790 615 1 2 . 1 1 39 39 ARG C C 39 179.555 179.555 179.080 0.475 25790 616 1 2 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.571 -0.112 25790 617 1 2 . 1 1 39 39 ARG CB C 39 29.752 29.752 30.000 -0.248 25790 618 1 2 . 1 1 39 39 ARG H H 39 7.739 7.739 8.179 -0.440 25790 619 1 2 . 1 1 40 40 GLN N N 40 119.432 119.432 119.692 -0.260 25790 620 1 2 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.145 -0.008 25790 621 1 2 . 1 1 40 40 GLN C C 40 179.522 179.522 178.509 1.013 25790 622 1 2 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.658 0.602 25790 623 1 2 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.230 0.128 25790 624 1 2 . 1 1 40 40 GLN H H 40 7.811 7.811 7.684 0.127 25790 625 1 2 . 1 1 41 41 LEU N N 41 121.592 121.592 119.862 1.730 25790 626 1 2 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.854 -0.167 25790 627 1 2 . 1 1 41 41 LEU C C 41 178.974 178.974 179.366 -0.392 25790 628 1 2 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.747 0.216 25790 629 1 2 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.236 -1.385 25790 630 1 2 . 1 1 41 41 LEU H H 41 8.648 8.648 8.040 0.608 25790 631 1 2 . 1 1 42 42 GLN N N 42 119.054 119.054 118.027 1.027 25790 632 1 2 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.201 0.343 25790 633 1 2 . 1 1 42 42 GLN C C 42 180.176 180.176 178.595 1.581 25790 634 1 2 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.391 -0.157 25790 635 1 2 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.660 -0.740 25790 636 1 2 . 1 1 42 42 GLN H H 42 8.641 8.641 8.439 0.202 25790 637 1 2 . 1 1 43 43 GLU N N 43 121.517 121.517 120.531 0.986 25790 638 1 2 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.021 0.215 25790 639 1 2 . 1 1 43 43 GLU C C 43 179.721 179.721 178.804 0.917 25790 640 1 2 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.598 0.069 25790 641 1 2 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.518 -0.260 25790 642 1 2 . 1 1 43 43 GLU H H 43 8.111 8.111 8.095 0.016 25790 643 1 2 . 1 1 44 44 GLN N N 44 119.240 119.240 118.092 1.148 25790 644 1 2 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.126 -0.010 25790 645 1 2 . 1 1 44 44 GLN C C 44 179.012 179.012 178.484 0.528 25790 646 1 2 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.240 0.909 25790 647 1 2 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.494 0.360 25790 648 1 2 . 1 1 44 44 GLN H H 44 8.372 8.372 7.688 0.684 25790 649 1 2 . 1 1 45 45 HIS N N 45 121.705 121.705 120.596 1.109 25790 650 1 2 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.393 -0.113 25790 651 1 2 . 1 1 45 45 HIS C C 45 176.395 176.395 177.376 -0.981 25790 652 1 2 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.689 0.670 25790 653 1 2 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.217 2.108 25790 654 1 2 . 1 1 45 45 HIS H H 45 9.472 9.472 8.262 1.210 25790 655 1 2 . 1 1 46 46 TYR N N 46 119.039 119.039 120.821 -1.782 25790 656 1 2 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.314 -0.465 25790 657 1 2 . 1 1 46 46 TYR C C 46 176.664 176.664 177.882 -1.218 25790 658 1 2 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.682 0.569 25790 659 1 2 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.320 -0.648 25790 660 1 2 . 1 1 46 46 TYR H H 46 8.253 8.253 8.325 -0.072 25790 661 1 2 . 1 1 47 47 GLN N N 47 116.407 116.407 117.577 -1.170 25790 662 1 2 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.859 -0.075 25790 663 1 2 . 1 1 47 47 GLN C C 47 179.048 179.048 178.409 0.639 25790 664 1 2 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.819 -0.870 25790 665 1 2 . 1 1 47 47 GLN CB C 47 28.181 28.181 27.994 0.187 25790 666 1 2 . 1 1 47 47 GLN H H 47 7.814 7.814 7.899 -0.085 25790 667 1 2 . 1 1 48 48 GLN N N 48 119.803 119.803 119.439 0.364 25790 668 1 2 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.023 -0.046 25790 669 1 2 . 1 1 48 48 GLN C C 48 177.741 177.741 178.261 -0.520 25790 670 1 2 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.964 -0.650 25790 671 1 2 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.258 0.070 25790 672 1 2 . 1 1 48 48 GLN H H 48 8.645 8.645 7.667 0.978 25790 673 1 2 . 1 1 49 49 TYR N N 49 121.342 121.342 121.041 0.301 25790 674 1 2 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.233 -0.593 25790 675 1 2 . 1 1 49 49 TYR C C 49 176.021 176.021 177.734 -1.713 25790 676 1 2 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.609 0.500 25790 677 1 2 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.420 0.487 25790 678 1 2 . 1 1 49 49 TYR H H 49 9.105 9.105 7.802 1.303 25790 679 1 2 . 1 1 50 50 MET N N 50 115.522 115.522 118.435 -2.913 25790 680 1 2 . 1 1 50 50 MET HA H 50 4.040 4.040 3.867 0.173 25790 681 1 2 . 1 1 50 50 MET C C 50 179.841 179.841 178.143 1.698 25790 682 1 2 . 1 1 50 50 MET CA C 50 56.623 56.623 58.721 -2.098 25790 683 1 2 . 1 1 50 50 MET CB C 50 30.099 30.099 32.264 -2.165 25790 684 1 2 . 1 1 50 50 MET H H 50 8.060 8.060 8.124 -0.064 25790 685 1 2 . 1 1 51 51 GLN N N 51 118.942 118.942 117.539 1.403 25790 686 1 2 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.979 0.086 25790 687 1 2 . 1 1 51 51 GLN C C 51 178.707 178.707 178.408 0.299 25790 688 1 2 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.701 0.240 25790 689 1 2 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.551 -0.062 25790 690 1 2 . 1 1 51 51 GLN H H 51 7.830 7.830 8.007 -0.177 25790 691 1 2 . 1 1 52 52 GLN N N 52 119.210 119.210 120.865 -1.655 25790 692 1 2 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.025 0.032 25790 693 1 2 . 1 1 52 52 GLN C C 52 178.738 178.738 178.309 0.429 25790 694 1 2 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.843 -0.094 25790 695 1 2 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.518 -0.115 25790 696 1 2 . 1 1 52 52 GLN H H 52 8.187 8.187 7.976 0.211 25790 697 1 2 . 1 1 53 53 LEU N N 53 121.233 121.233 119.204 2.029 25790 698 1 2 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.830 0.011 25790 699 1 2 . 1 1 53 53 LEU C C 53 179.191 179.191 178.767 0.424 25790 700 1 2 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.886 -0.141 25790 701 1 2 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.537 0.329 25790 702 1 2 . 1 1 53 53 LEU H H 53 8.441 8.441 7.955 0.486 25790 703 1 2 . 1 1 54 54 TYR N N 54 118.505 118.505 118.642 -0.137 25790 704 1 2 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.012 0.306 25790 705 1 2 . 1 1 54 54 TYR C C 54 177.535 177.535 177.087 0.448 25790 706 1 2 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.591 -1.114 25790 707 1 2 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.803 -0.017 25790 708 1 2 . 1 1 54 54 TYR H H 54 7.819 7.819 7.485 0.334 25790 709 1 2 . 1 1 55 55 GLN N N 55 117.299 117.299 118.197 -0.898 25790 710 1 2 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.517 0.382 25790 711 1 2 . 1 1 55 55 GLN C C 55 179.041 179.041 178.291 0.750 25790 712 1 2 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.519 0.190 25790 713 1 2 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.450 -0.235 25790 714 1 2 . 1 1 55 55 GLN H H 55 7.735 7.735 7.482 0.253 25790 715 1 2 . 1 1 56 56 VAL N N 56 120.879 120.879 120.417 0.462 25790 716 1 2 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.624 0.168 25790 717 1 2 . 1 1 56 56 VAL C C 56 178.262 178.262 178.076 0.186 25790 718 1 2 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.222 -0.281 25790 719 1 2 . 1 1 56 56 VAL CB C 56 31.879 31.879 30.762 1.117 25790 720 1 2 . 1 1 56 56 VAL H H 56 8.014 8.014 8.087 -0.073 25790 721 1 2 . 1 1 57 57 GLN N N 57 120.513 120.513 119.420 1.093 25790 722 1 2 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.986 0.074 25790 723 1 2 . 1 1 57 57 GLN C C 57 178.772 178.772 178.898 -0.126 25790 724 1 2 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.547 -0.931 25790 725 1 2 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.599 -0.614 25790 726 1 2 . 1 1 57 57 GLN H H 57 8.103 8.103 7.972 0.131 25790 727 1 2 . 1 1 58 58 LEU N N 58 121.244 121.244 119.420 1.824 25790 728 1 2 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.934 0.071 25790 729 1 2 . 1 1 58 58 LEU C C 58 179.134 179.134 178.530 0.604 25790 730 1 2 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.262 0.244 25790 731 1 2 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.307 0.496 25790 732 1 2 . 1 1 58 58 LEU H H 58 8.176 8.176 7.888 0.288 25790 733 1 2 . 1 1 59 59 ALA N N 59 121.608 121.608 122.139 -0.531 25790 734 1 2 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.877 0.288 25790 735 1 2 . 1 1 59 59 ALA C C 59 180.497 180.497 179.922 0.575 25790 736 1 2 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.234 -0.652 25790 737 1 2 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.969 0.084 25790 738 1 2 . 1 1 59 59 ALA H H 59 7.833 7.833 8.029 -0.196 25790 739 1 2 . 1 1 60 60 GLN N N 60 118.335 118.335 117.380 0.955 25790 740 1 2 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.951 0.197 25790 741 1 2 . 1 1 60 60 GLN C C 60 178.334 178.334 178.880 -0.546 25790 742 1 2 . 1 1 60 60 GLN CA C 60 57.977 57.977 59.068 -1.091 25790 743 1 2 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.537 -0.102 25790 744 1 2 . 1 1 60 60 GLN H H 60 8.081 8.081 7.939 0.142 25790 745 1 2 . 1 1 61 61 GLN N N 61 120.206 120.206 118.751 1.455 25790 746 1 2 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.006 0.156 25790 747 1 2 . 1 1 61 61 GLN C C 61 178.002 178.002 178.477 -0.475 25790 748 1 2 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.914 -1.009 25790 749 1 2 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.535 0.044 25790 750 1 2 . 1 1 61 61 GLN H H 61 8.111 8.111 7.986 0.125 25790 751 1 2 . 1 1 62 62 GLN N N 62 118.980 118.980 117.907 1.073 25790 752 1 2 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.081 0.048 25790 753 1 2 . 1 1 62 62 GLN C C 62 177.624 177.624 178.137 -0.513 25790 754 1 2 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.474 -0.838 25790 755 1 2 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.101 0.535 25790 756 1 2 . 1 1 62 62 GLN H H 62 8.203 8.203 8.449 -0.246 25790 757 1 2 . 1 1 63 63 ALA N N 63 122.712 122.712 122.916 -0.204 25790 758 1 2 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.107 0.099 25790 759 1 2 . 1 1 63 63 ALA C C 63 178.922 178.922 178.673 0.249 25790 760 1 2 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.592 -0.696 25790 761 1 2 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.015 0.444 25790 762 1 2 . 1 1 63 63 ALA H H 63 8.004 8.004 7.901 0.103 25790 763 1 2 . 1 1 64 64 ALA N N 64 120.813 120.813 120.255 0.558 25790 764 1 2 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.185 0.047 25790 765 1 2 . 1 1 64 64 ALA C C 64 178.732 178.732 178.669 0.063 25790 766 1 2 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.772 -0.256 25790 767 1 2 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.202 -0.572 25790 768 1 2 . 1 1 64 64 ALA H H 64 7.837 7.837 7.616 0.221 25790 769 1 2 . 1 1 65 65 LEU N N 65 119.196 119.196 117.893 1.303 25790 770 1 2 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.251 0.006 25790 771 1 2 . 1 1 65 65 LEU C C 65 178.038 178.038 177.632 0.406 25790 772 1 2 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.712 0.110 25790 773 1 2 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.770 -0.506 25790 774 1 2 . 1 1 65 65 LEU H H 65 7.765 7.765 7.456 0.309 25790 775 1 2 . 1 1 66 66 GLN N N 66 119.365 119.365 114.555 4.810 25790 776 1 2 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.990 0.285 25790 777 1 2 . 1 1 66 66 GLN C C 66 176.120 176.120 175.867 0.253 25790 778 1 2 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.945 -0.878 25790 779 1 2 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.106 3.026 25790 780 1 2 . 1 1 66 66 GLN H H 66 7.967 7.967 8.203 -0.236 25790 781 1 2 . 1 1 67 67 LYS N N 67 121.521 121.521 116.697 4.824 25790 782 1 2 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.451 -0.142 25790 783 1 2 . 1 1 67 67 LYS C C 67 176.437 176.437 176.259 0.178 25790 784 1 2 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.171 0.218 25790 785 1 2 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.317 0.724 25790 786 1 2 . 1 1 67 67 LYS H H 67 8.053 8.053 8.176 -0.123 25790 787 1 2 . 1 1 68 68 GLN N N 68 121.970 121.970 118.738 3.232 25790 788 1 2 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.417 -0.078 25790 789 1 2 . 1 1 68 68 GLN C C 68 175.120 175.120 175.394 -0.274 25790 790 1 2 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.483 0.517 25790 791 1 2 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.910 2.587 25790 792 1 2 . 1 1 68 68 GLN H H 68 8.314 8.314 8.026 0.288 25790 793 1 3 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.502 -0.055 25790 794 1 3 . 1 1 2 2 GLN C C 2 176.144 176.144 175.050 1.094 25790 795 1 3 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.358 0.851 25790 796 1 3 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.700 0.759 25790 797 1 3 . 1 1 3 3 GLN N N 3 122.052 122.052 119.753 2.299 25790 798 1 3 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.050 0.273 25790 799 1 3 . 1 1 3 3 GLN C C 3 176.988 176.988 176.441 0.547 25790 800 1 3 . 1 1 3 3 GLN CA C 3 57.403 57.403 56.074 1.329 25790 801 1 3 . 1 1 3 3 GLN CB C 3 29.239 29.239 26.859 2.380 25790 802 1 3 . 1 1 3 3 GLN H H 3 8.780 8.780 8.521 0.259 25790 803 1 3 . 1 1 4 4 LYS N N 4 121.855 121.855 119.699 2.156 25790 804 1 3 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.966 0.038 25790 805 1 3 . 1 1 4 4 LYS C C 4 177.638 177.638 177.815 -0.177 25790 806 1 3 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.987 1.252 25790 807 1 3 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.194 0.505 25790 808 1 3 . 1 1 4 4 LYS H H 4 8.528 8.528 8.689 -0.161 25790 809 1 3 . 1 1 5 5 GLN N N 5 116.397 116.397 118.077 -1.680 25790 810 1 3 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.968 -0.027 25790 811 1 3 . 1 1 5 5 GLN C C 5 178.761 178.761 178.584 0.177 25790 812 1 3 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.886 0.463 25790 813 1 3 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.203 -0.254 25790 814 1 3 . 1 1 5 5 GLN H H 5 8.223 8.223 8.405 -0.182 25790 815 1 3 . 1 1 6 6 GLN N N 6 119.262 119.262 119.171 0.091 25790 816 1 3 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.078 0.050 25790 817 1 3 . 1 1 6 6 GLN C C 6 179.018 179.018 178.609 0.409 25790 818 1 3 . 1 1 6 6 GLN CA C 6 59.089 59.089 59.027 0.062 25790 819 1 3 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.562 0.148 25790 820 1 3 . 1 1 6 6 GLN H H 6 7.848 7.848 8.270 -0.422 25790 821 1 3 . 1 1 7 7 ILE N N 7 121.296 121.296 120.097 1.199 25790 822 1 3 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.738 -0.155 25790 823 1 3 . 1 1 7 7 ILE C C 7 177.833 177.833 177.973 -0.140 25790 824 1 3 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.975 0.154 25790 825 1 3 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.888 0.318 25790 826 1 3 . 1 1 7 7 ILE H H 7 8.095 8.095 7.336 0.759 25790 827 1 3 . 1 1 8 8 MET N N 8 117.603 117.603 119.169 -1.566 25790 828 1 3 . 1 1 8 8 MET HA H 8 3.985 3.985 4.113 -0.128 25790 829 1 3 . 1 1 8 8 MET C C 8 177.355 177.355 178.271 -0.916 25790 830 1 3 . 1 1 8 8 MET CA C 8 59.932 59.932 59.620 0.312 25790 831 1 3 . 1 1 8 8 MET CB C 8 32.721 32.721 32.288 0.433 25790 832 1 3 . 1 1 8 8 MET H H 8 8.672 8.672 8.241 0.431 25790 833 1 3 . 1 1 9 9 ALA N N 9 118.774 118.774 121.467 -2.693 25790 834 1 3 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.975 0.071 25790 835 1 3 . 1 1 9 9 ALA C C 9 180.546 180.546 179.139 1.407 25790 836 1 3 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.196 0.189 25790 837 1 3 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.851 0.047 25790 838 1 3 . 1 1 9 9 ALA H H 9 7.795 7.795 8.295 -0.500 25790 839 1 3 . 1 1 10 10 ALA N N 10 120.854 120.854 121.719 -0.865 25790 840 1 3 . 1 1 10 10 ALA HA H 10 4.205 4.205 3.992 0.213 25790 841 1 3 . 1 1 10 10 ALA C C 10 181.200 181.200 179.611 1.589 25790 842 1 3 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.778 0.234 25790 843 1 3 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.458 0.803 25790 844 1 3 . 1 1 10 10 ALA H H 10 7.438 7.438 7.538 -0.100 25790 845 1 3 . 1 1 11 11 LEU N N 11 120.775 120.775 118.543 2.232 25790 846 1 3 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.685 0.063 25790 847 1 3 . 1 1 11 11 LEU C C 11 179.041 179.041 179.091 -0.050 25790 848 1 3 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.725 0.621 25790 849 1 3 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.410 -1.433 25790 850 1 3 . 1 1 11 11 LEU H H 11 8.757 8.757 8.244 0.513 25790 851 1 3 . 1 1 12 12 ASN N N 12 116.313 116.313 117.707 -1.394 25790 852 1 3 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.463 0.101 25790 853 1 3 . 1 1 12 12 ASN C C 12 178.900 178.900 177.955 0.945 25790 854 1 3 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.606 -1.541 25790 855 1 3 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.854 -0.861 25790 856 1 3 . 1 1 12 12 ASN H H 12 8.850 8.850 8.682 0.168 25790 857 1 3 . 1 1 13 13 SER N N 13 114.747 114.747 114.500 0.247 25790 858 1 3 . 1 1 13 13 SER HA H 13 4.370 4.370 4.238 0.132 25790 859 1 3 . 1 1 13 13 SER C C 13 176.515 176.515 175.458 1.057 25790 860 1 3 . 1 1 13 13 SER CA C 13 61.141 61.141 61.203 -0.062 25790 861 1 3 . 1 1 13 13 SER CB C 13 63.044 63.044 62.885 0.159 25790 862 1 3 . 1 1 13 13 SER H H 13 7.672 7.672 7.661 0.011 25790 863 1 3 . 1 1 14 14 GLN N N 14 119.954 119.954 118.381 1.573 25790 864 1 3 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.211 0.007 25790 865 1 3 . 1 1 14 14 GLN C C 14 178.208 178.208 177.482 0.726 25790 866 1 3 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.631 0.118 25790 867 1 3 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.123 -0.423 25790 868 1 3 . 1 1 14 14 GLN H H 14 7.573 7.573 7.545 0.028 25790 869 1 3 . 1 1 15 15 THR N N 15 107.493 107.493 108.574 -1.081 25790 870 1 3 . 1 1 15 15 THR HA H 15 3.899 3.899 4.243 -0.344 25790 871 1 3 . 1 1 15 15 THR C C 15 174.683 174.683 175.300 -0.617 25790 872 1 3 . 1 1 15 15 THR CA C 15 61.551 61.551 61.584 -0.033 25790 873 1 3 . 1 1 15 15 THR CB C 15 69.226 69.226 69.270 -0.044 25790 874 1 3 . 1 1 15 15 THR H H 15 7.741 7.741 7.470 0.271 25790 875 1 3 . 1 1 16 16 ALA N N 16 124.034 124.034 125.575 -1.541 25790 876 1 3 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.917 0.218 25790 877 1 3 . 1 1 16 16 ALA C C 16 179.899 179.899 179.223 0.676 25790 878 1 3 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.742 0.465 25790 879 1 3 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.040 0.684 25790 880 1 3 . 1 1 16 16 ALA H H 16 6.873 6.873 7.565 -0.692 25790 881 1 3 . 1 1 17 17 VAL N N 17 117.150 117.150 118.038 -0.888 25790 882 1 3 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.834 -0.120 25790 883 1 3 . 1 1 17 17 VAL C C 17 178.537 178.537 177.495 1.042 25790 884 1 3 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.042 1.466 25790 885 1 3 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.646 0.047 25790 886 1 3 . 1 1 17 17 VAL H H 17 8.162 8.162 8.001 0.161 25790 887 1 3 . 1 1 18 18 GLN N N 18 119.489 119.489 120.217 -0.728 25790 888 1 3 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.341 -0.284 25790 889 1 3 . 1 1 18 18 GLN C C 18 180.429 180.429 178.391 2.038 25790 890 1 3 . 1 1 18 18 GLN CA C 18 59.699 59.699 58.780 0.919 25790 891 1 3 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.310 0.876 25790 892 1 3 . 1 1 18 18 GLN H H 18 8.451 8.451 8.118 0.333 25790 893 1 3 . 1 1 19 19 PHE N N 19 117.940 117.940 119.081 -1.141 25790 894 1 3 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.492 0.338 25790 895 1 3 . 1 1 19 19 PHE C C 19 177.858 177.858 178.205 -0.347 25790 896 1 3 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.877 -1.848 25790 897 1 3 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.198 -2.293 25790 898 1 3 . 1 1 19 19 PHE H H 19 8.924 8.924 8.885 0.039 25790 899 1 3 . 1 1 20 20 GLN N N 20 120.297 120.297 120.680 -0.383 25790 900 1 3 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.977 0.129 25790 901 1 3 . 1 1 20 20 GLN C C 20 178.986 178.986 178.267 0.719 25790 902 1 3 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.740 -0.177 25790 903 1 3 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.519 -0.624 25790 904 1 3 . 1 1 20 20 GLN H H 20 8.264 8.264 8.224 0.040 25790 905 1 3 . 1 1 21 21 GLN N N 21 118.595 118.595 118.862 -0.267 25790 906 1 3 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.031 0.051 25790 907 1 3 . 1 1 21 21 GLN C C 21 178.806 178.806 178.633 0.173 25790 908 1 3 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.895 0.275 25790 909 1 3 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.786 -0.590 25790 910 1 3 . 1 1 21 21 GLN H H 21 8.527 8.527 8.024 0.503 25790 911 1 3 . 1 1 22 22 TYR N N 22 119.594 119.594 120.902 -1.308 25790 912 1 3 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.119 0.128 25790 913 1 3 . 1 1 22 22 TYR C C 22 177.789 177.789 177.036 0.753 25790 914 1 3 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.918 0.794 25790 915 1 3 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.447 0.277 25790 916 1 3 . 1 1 22 22 TYR H H 22 7.843 7.843 7.821 0.022 25790 917 1 3 . 1 1 23 23 ALA N N 23 120.663 120.663 121.032 -0.369 25790 918 1 3 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.707 0.150 25790 919 1 3 . 1 1 23 23 ALA C C 23 179.319 179.319 178.681 0.638 25790 920 1 3 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.863 0.726 25790 921 1 3 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.297 0.185 25790 922 1 3 . 1 1 23 23 ALA H H 23 8.612 8.612 8.597 0.015 25790 923 1 3 . 1 1 24 24 ALA N N 24 119.002 119.002 119.213 -0.211 25790 924 1 3 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.173 -0.235 25790 925 1 3 . 1 1 24 24 ALA C C 24 178.987 178.987 178.417 0.570 25790 926 1 3 . 1 1 24 24 ALA CA C 24 54.317 54.317 53.869 0.448 25790 927 1 3 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.518 -0.627 25790 928 1 3 . 1 1 24 24 ALA H H 24 8.168 8.168 8.221 -0.053 25790 929 1 3 . 1 1 25 25 GLN N N 25 115.599 115.599 116.166 -0.567 25790 930 1 3 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.066 -0.062 25790 931 1 3 . 1 1 25 25 GLN C C 25 177.818 177.818 177.248 0.570 25790 932 1 3 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.858 -0.404 25790 933 1 3 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.805 -0.350 25790 934 1 3 . 1 1 25 25 GLN H H 25 7.300 7.300 7.515 -0.215 25790 935 1 3 . 1 1 26 26 GLN N N 26 116.989 116.989 116.926 0.063 25790 936 1 3 . 1 1 26 26 GLN HA H 26 3.704 3.704 4.003 -0.299 25790 937 1 3 . 1 1 26 26 GLN C C 26 175.979 175.979 176.207 -0.228 25790 938 1 3 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.672 0.116 25790 939 1 3 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.359 -1.279 25790 940 1 3 . 1 1 26 26 GLN H H 26 7.401 7.401 7.245 0.156 25790 941 1 3 . 1 1 27 27 TYR N N 27 114.712 114.712 118.210 -3.498 25790 942 1 3 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.947 0.131 25790 943 1 3 . 1 1 27 27 TYR C C 27 172.931 172.931 173.626 -0.695 25790 944 1 3 . 1 1 27 27 TYR CA C 27 55.167 55.167 53.898 1.269 25790 945 1 3 . 1 1 27 27 TYR CB C 27 39.660 39.660 37.938 1.722 25790 946 1 3 . 1 1 27 27 TYR H H 27 7.675 7.675 8.249 -0.574 25790 947 1 3 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.375 -0.013 25790 948 1 3 . 1 1 28 28 PRO C C 28 179.333 179.333 177.905 1.428 25790 949 1 3 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.995 0.399 25790 950 1 3 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.510 -1.256 25790 951 1 3 . 1 1 29 29 GLY N N 29 110.091 110.091 112.780 -2.689 25790 952 1 3 . 1 1 29 29 GLY C C 29 173.218 173.218 174.710 -1.492 25790 953 1 3 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.387 0.525 25790 954 1 3 . 1 1 29 29 GLY H H 29 8.826 8.826 8.726 0.100 25790 955 1 3 . 1 1 30 30 ASN N N 30 118.603 118.603 121.967 -3.364 25790 956 1 3 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.921 0.078 25790 957 1 3 . 1 1 30 30 ASN C C 30 173.977 173.977 174.744 -0.767 25790 958 1 3 . 1 1 30 30 ASN CA C 30 51.185 51.185 52.017 -0.832 25790 959 1 3 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.809 0.617 25790 960 1 3 . 1 1 30 30 ASN H H 30 7.293 7.293 7.764 -0.471 25790 961 1 3 . 1 1 31 31 TYR N N 31 125.240 125.240 126.902 -1.662 25790 962 1 3 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.089 -0.191 25790 963 1 3 . 1 1 31 31 TYR C C 31 177.343 177.343 176.462 0.881 25790 964 1 3 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.770 -0.959 25790 965 1 3 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.863 -0.506 25790 966 1 3 . 1 1 31 31 TYR H H 31 8.509 8.509 7.987 0.522 25790 967 1 3 . 1 1 32 32 GLU N N 32 118.993 118.993 116.753 2.240 25790 968 1 3 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.804 0.096 25790 969 1 3 . 1 1 32 32 GLU C C 32 179.549 179.549 178.549 1.000 25790 970 1 3 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.576 0.536 25790 971 1 3 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.041 1.127 25790 972 1 3 . 1 1 32 32 GLU H H 32 8.714 8.714 8.792 -0.078 25790 973 1 3 . 1 1 33 33 GLN N N 33 117.037 117.037 118.693 -1.656 25790 974 1 3 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.992 -0.259 25790 975 1 3 . 1 1 33 33 GLN C C 33 179.119 179.119 178.800 0.319 25790 976 1 3 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.526 -0.824 25790 977 1 3 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.591 0.035 25790 978 1 3 . 1 1 33 33 GLN H H 33 7.536 7.536 8.308 -0.772 25790 979 1 3 . 1 1 34 34 GLN N N 34 117.723 117.723 119.502 -1.779 25790 980 1 3 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.119 -0.308 25790 981 1 3 . 1 1 34 34 GLN C C 34 177.634 177.634 178.666 -1.032 25790 982 1 3 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.532 0.633 25790 983 1 3 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.477 -0.976 25790 984 1 3 . 1 1 34 34 GLN H H 34 7.968 7.968 8.563 -0.595 25790 985 1 3 . 1 1 35 35 GLN N N 35 115.293 115.293 118.573 -3.280 25790 986 1 3 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.061 -0.270 25790 987 1 3 . 1 1 35 35 GLN C C 35 178.757 178.757 178.643 0.114 25790 988 1 3 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.131 0.479 25790 989 1 3 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.227 -0.022 25790 990 1 3 . 1 1 35 35 GLN H H 35 7.870 7.870 7.664 0.206 25790 991 1 3 . 1 1 36 36 ILE N N 36 120.769 120.769 121.248 -0.479 25790 992 1 3 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.674 -0.110 25790 993 1 3 . 1 1 36 36 ILE C C 36 178.273 178.273 178.146 0.127 25790 994 1 3 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.338 -0.102 25790 995 1 3 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.779 0.594 25790 996 1 3 . 1 1 36 36 ILE H H 36 7.503 7.503 7.916 -0.413 25790 997 1 3 . 1 1 37 37 LEU N N 37 121.056 121.056 121.895 -0.839 25790 998 1 3 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.393 -0.084 25790 999 1 3 . 1 1 37 37 LEU C C 37 178.348 178.348 178.891 -0.543 25790 1000 1 3 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.871 -0.137 25790 1001 1 3 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.995 -0.479 25790 1002 1 3 . 1 1 37 37 LEU H H 37 7.678 7.678 8.168 -0.490 25790 1003 1 3 . 1 1 38 38 ILE N N 38 119.334 119.334 119.681 -0.347 25790 1004 1 3 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.522 -0.181 25790 1005 1 3 . 1 1 38 38 ILE C C 38 177.371 177.371 178.073 -0.702 25790 1006 1 3 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.994 1.091 25790 1007 1 3 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.644 0.705 25790 1008 1 3 . 1 1 38 38 ILE H H 38 8.702 8.702 8.310 0.392 25790 1009 1 3 . 1 1 39 39 ARG N N 39 117.798 117.798 119.532 -1.734 25790 1010 1 3 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.321 -0.106 25790 1011 1 3 . 1 1 39 39 ARG C C 39 179.555 179.555 179.348 0.207 25790 1012 1 3 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.599 -0.140 25790 1013 1 3 . 1 1 39 39 ARG CB C 39 29.752 29.752 30.081 -0.329 25790 1014 1 3 . 1 1 39 39 ARG H H 39 7.739 7.739 8.056 -0.317 25790 1015 1 3 . 1 1 40 40 GLN N N 40 119.432 119.432 119.790 -0.358 25790 1016 1 3 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.065 0.072 25790 1017 1 3 . 1 1 40 40 GLN C C 40 179.522 179.522 178.611 0.911 25790 1018 1 3 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.059 0.201 25790 1019 1 3 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.606 -0.248 25790 1020 1 3 . 1 1 40 40 GLN H H 40 7.811 7.811 7.933 -0.122 25790 1021 1 3 . 1 1 41 41 LEU N N 41 121.592 121.592 120.398 1.194 25790 1022 1 3 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.727 -0.040 25790 1023 1 3 . 1 1 41 41 LEU C C 41 178.974 178.974 179.124 -0.150 25790 1024 1 3 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.997 -0.034 25790 1025 1 3 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.190 -1.338 25790 1026 1 3 . 1 1 41 41 LEU H H 41 8.648 8.648 8.423 0.225 25790 1027 1 3 . 1 1 42 42 GLN N N 42 119.054 119.054 117.605 1.449 25790 1028 1 3 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.250 0.294 25790 1029 1 3 . 1 1 42 42 GLN C C 42 180.176 180.176 178.685 1.491 25790 1030 1 3 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.419 -0.184 25790 1031 1 3 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.639 -0.719 25790 1032 1 3 . 1 1 42 42 GLN H H 42 8.641 8.641 8.533 0.108 25790 1033 1 3 . 1 1 43 43 GLU N N 43 121.517 121.517 120.071 1.446 25790 1034 1 3 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.084 0.152 25790 1035 1 3 . 1 1 43 43 GLU C C 43 179.721 179.721 178.841 0.880 25790 1036 1 3 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.475 0.192 25790 1037 1 3 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.491 -0.233 25790 1038 1 3 . 1 1 43 43 GLU H H 43 8.111 8.111 8.156 -0.045 25790 1039 1 3 . 1 1 44 44 GLN N N 44 119.240 119.240 118.717 0.523 25790 1040 1 3 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.052 0.064 25790 1041 1 3 . 1 1 44 44 GLN C C 44 179.012 179.012 178.818 0.194 25790 1042 1 3 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.350 0.799 25790 1043 1 3 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.407 0.448 25790 1044 1 3 . 1 1 44 44 GLN H H 44 8.372 8.372 8.110 0.262 25790 1045 1 3 . 1 1 45 45 HIS N N 45 121.705 121.705 117.950 3.755 25790 1046 1 3 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.545 -0.265 25790 1047 1 3 . 1 1 45 45 HIS C C 45 176.395 176.395 177.366 -0.971 25790 1048 1 3 . 1 1 45 45 HIS CA C 45 60.359 60.359 58.469 1.890 25790 1049 1 3 . 1 1 45 45 HIS CB C 45 32.325 32.325 29.701 2.624 25790 1050 1 3 . 1 1 45 45 HIS H H 45 9.472 9.472 8.560 0.912 25790 1051 1 3 . 1 1 46 46 TYR N N 46 119.039 119.039 122.008 -2.969 25790 1052 1 3 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.282 -0.433 25790 1053 1 3 . 1 1 46 46 TYR C C 46 176.664 176.664 177.355 -0.691 25790 1054 1 3 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.413 -0.161 25790 1055 1 3 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.433 -0.761 25790 1056 1 3 . 1 1 46 46 TYR H H 46 8.253 8.253 7.832 0.421 25790 1057 1 3 . 1 1 47 47 GLN N N 47 116.407 116.407 116.880 -0.473 25790 1058 1 3 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.957 -0.173 25790 1059 1 3 . 1 1 47 47 GLN C C 47 179.048 179.048 178.279 0.769 25790 1060 1 3 . 1 1 47 47 GLN CA C 47 58.949 58.949 58.925 0.024 25790 1061 1 3 . 1 1 47 47 GLN CB C 47 28.181 28.181 27.740 0.441 25790 1062 1 3 . 1 1 47 47 GLN H H 47 7.814 7.814 7.846 -0.032 25790 1063 1 3 . 1 1 48 48 GLN N N 48 119.803 119.803 120.570 -0.767 25790 1064 1 3 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.294 -0.317 25790 1065 1 3 . 1 1 48 48 GLN C C 48 177.741 177.741 178.533 -0.792 25790 1066 1 3 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.774 -0.460 25790 1067 1 3 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.782 -0.454 25790 1068 1 3 . 1 1 48 48 GLN H H 48 8.645 8.645 7.716 0.929 25790 1069 1 3 . 1 1 49 49 TYR N N 49 121.342 121.342 121.411 -0.069 25790 1070 1 3 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.271 -0.631 25790 1071 1 3 . 1 1 49 49 TYR C C 49 176.021 176.021 177.799 -1.778 25790 1072 1 3 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.101 1.008 25790 1073 1 3 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.161 0.746 25790 1074 1 3 . 1 1 49 49 TYR H H 49 9.105 9.105 8.498 0.607 25790 1075 1 3 . 1 1 50 50 MET N N 50 115.522 115.522 118.719 -3.197 25790 1076 1 3 . 1 1 50 50 MET HA H 50 4.040 4.040 3.782 0.258 25790 1077 1 3 . 1 1 50 50 MET C C 50 179.841 179.841 178.051 1.790 25790 1078 1 3 . 1 1 50 50 MET CA C 50 56.623 56.623 58.829 -2.206 25790 1079 1 3 . 1 1 50 50 MET CB C 50 30.099 30.099 32.237 -2.138 25790 1080 1 3 . 1 1 50 50 MET H H 50 8.060 8.060 8.077 -0.017 25790 1081 1 3 . 1 1 51 51 GLN N N 51 118.942 118.942 117.996 0.946 25790 1082 1 3 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.924 0.141 25790 1083 1 3 . 1 1 51 51 GLN C C 51 178.707 178.707 178.439 0.268 25790 1084 1 3 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.940 0.001 25790 1085 1 3 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.492 -0.003 25790 1086 1 3 . 1 1 51 51 GLN H H 51 7.830 7.830 7.883 -0.053 25790 1087 1 3 . 1 1 52 52 GLN N N 52 119.210 119.210 120.790 -1.580 25790 1088 1 3 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.273 -0.216 25790 1089 1 3 . 1 1 52 52 GLN C C 52 178.738 178.738 178.535 0.203 25790 1090 1 3 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.734 0.015 25790 1091 1 3 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.692 -0.289 25790 1092 1 3 . 1 1 52 52 GLN H H 52 8.187 8.187 8.197 -0.010 25790 1093 1 3 . 1 1 53 53 LEU N N 53 121.233 121.233 119.588 1.645 25790 1094 1 3 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.786 0.055 25790 1095 1 3 . 1 1 53 53 LEU C C 53 179.191 179.191 178.681 0.510 25790 1096 1 3 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.527 0.218 25790 1097 1 3 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.569 0.297 25790 1098 1 3 . 1 1 53 53 LEU H H 53 8.441 8.441 8.148 0.293 25790 1099 1 3 . 1 1 54 54 TYR N N 54 118.505 118.505 119.977 -1.472 25790 1100 1 3 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.057 0.261 25790 1101 1 3 . 1 1 54 54 TYR C C 54 177.535 177.535 177.055 0.480 25790 1102 1 3 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.620 -1.143 25790 1103 1 3 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.849 -0.063 25790 1104 1 3 . 1 1 54 54 TYR H H 54 7.819 7.819 7.703 0.116 25790 1105 1 3 . 1 1 55 55 GLN N N 55 117.299 117.299 118.327 -1.028 25790 1106 1 3 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.604 0.295 25790 1107 1 3 . 1 1 55 55 GLN C C 55 179.041 179.041 178.253 0.788 25790 1108 1 3 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.766 -0.057 25790 1109 1 3 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.315 -0.100 25790 1110 1 3 . 1 1 55 55 GLN H H 55 7.735 7.735 7.593 0.142 25790 1111 1 3 . 1 1 56 56 VAL N N 56 120.879 120.879 120.252 0.627 25790 1112 1 3 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.628 0.164 25790 1113 1 3 . 1 1 56 56 VAL C C 56 178.262 178.262 178.029 0.233 25790 1114 1 3 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.144 -0.202 25790 1115 1 3 . 1 1 56 56 VAL CB C 56 31.879 31.879 30.816 1.063 25790 1116 1 3 . 1 1 56 56 VAL H H 56 8.014 8.014 8.000 0.014 25790 1117 1 3 . 1 1 57 57 GLN N N 57 120.513 120.513 119.280 1.233 25790 1118 1 3 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.014 0.046 25790 1119 1 3 . 1 1 57 57 GLN C C 57 178.772 178.772 178.897 -0.125 25790 1120 1 3 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.151 -0.535 25790 1121 1 3 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.917 -0.932 25790 1122 1 3 . 1 1 57 57 GLN H H 57 8.103 8.103 8.050 0.053 25790 1123 1 3 . 1 1 58 58 LEU N N 58 121.244 121.244 117.098 4.146 25790 1124 1 3 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.085 -0.080 25790 1125 1 3 . 1 1 58 58 LEU C C 58 179.134 179.134 178.129 1.005 25790 1126 1 3 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.803 -0.297 25790 1127 1 3 . 1 1 58 58 LEU CB C 58 41.803 41.803 40.916 0.888 25790 1128 1 3 . 1 1 58 58 LEU H H 58 8.176 8.176 7.996 0.180 25790 1129 1 3 . 1 1 59 59 ALA N N 59 121.608 121.608 122.777 -1.169 25790 1130 1 3 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.822 0.343 25790 1131 1 3 . 1 1 59 59 ALA C C 59 180.497 180.497 179.683 0.814 25790 1132 1 3 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.145 -0.563 25790 1133 1 3 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.312 -0.259 25790 1134 1 3 . 1 1 59 59 ALA H H 59 7.833 7.833 7.952 -0.119 25790 1135 1 3 . 1 1 60 60 GLN N N 60 118.335 118.335 117.597 0.738 25790 1136 1 3 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.914 0.234 25790 1137 1 3 . 1 1 60 60 GLN C C 60 178.334 178.334 178.868 -0.534 25790 1138 1 3 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.903 -0.926 25790 1139 1 3 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.500 -0.065 25790 1140 1 3 . 1 1 60 60 GLN H H 60 8.081 8.081 7.807 0.274 25790 1141 1 3 . 1 1 61 61 GLN N N 61 120.206 120.206 118.706 1.500 25790 1142 1 3 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.972 0.190 25790 1143 1 3 . 1 1 61 61 GLN C C 61 178.002 178.002 178.536 -0.534 25790 1144 1 3 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.904 -0.999 25790 1145 1 3 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.351 0.228 25790 1146 1 3 . 1 1 61 61 GLN H H 61 8.111 8.111 7.733 0.378 25790 1147 1 3 . 1 1 62 62 GLN N N 62 118.980 118.980 117.978 1.002 25790 1148 1 3 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.081 0.048 25790 1149 1 3 . 1 1 62 62 GLN C C 62 177.624 177.624 178.211 -0.587 25790 1150 1 3 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.467 -0.831 25790 1151 1 3 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.104 0.532 25790 1152 1 3 . 1 1 62 62 GLN H H 62 8.203 8.203 8.092 0.111 25790 1153 1 3 . 1 1 63 63 ALA N N 63 122.712 122.712 122.931 -0.219 25790 1154 1 3 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.093 0.113 25790 1155 1 3 . 1 1 63 63 ALA C C 63 178.922 178.922 179.029 -0.107 25790 1156 1 3 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.485 -0.589 25790 1157 1 3 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.142 0.317 25790 1158 1 3 . 1 1 63 63 ALA H H 63 8.004 8.004 8.165 -0.161 25790 1159 1 3 . 1 1 64 64 ALA N N 64 120.813 120.813 120.348 0.465 25790 1160 1 3 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.164 0.068 25790 1161 1 3 . 1 1 64 64 ALA C C 64 178.732 178.732 178.563 0.169 25790 1162 1 3 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.989 -0.473 25790 1163 1 3 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.211 -0.581 25790 1164 1 3 . 1 1 64 64 ALA H H 64 7.837 7.837 7.780 0.057 25790 1165 1 3 . 1 1 65 65 LEU N N 65 119.196 119.196 117.192 2.004 25790 1166 1 3 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.294 -0.037 25790 1167 1 3 . 1 1 65 65 LEU C C 65 178.038 178.038 177.620 0.418 25790 1168 1 3 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.308 0.514 25790 1169 1 3 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.630 -0.366 25790 1170 1 3 . 1 1 65 65 LEU H H 65 7.765 7.765 7.106 0.659 25790 1171 1 3 . 1 1 66 66 GLN N N 66 119.365 119.365 114.489 4.876 25790 1172 1 3 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.991 0.284 25790 1173 1 3 . 1 1 66 66 GLN C C 66 176.120 176.120 175.968 0.152 25790 1174 1 3 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.087 -1.020 25790 1175 1 3 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.032 3.100 25790 1176 1 3 . 1 1 66 66 GLN H H 66 7.967 7.967 8.296 -0.329 25790 1177 1 3 . 1 1 67 67 LYS N N 67 121.521 121.521 117.471 4.050 25790 1178 1 3 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.304 0.005 25790 1179 1 3 . 1 1 67 67 LYS C C 67 176.437 176.437 176.061 0.376 25790 1180 1 3 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.391 -0.002 25790 1181 1 3 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.574 0.467 25790 1182 1 3 . 1 1 67 67 LYS H H 67 8.053 8.053 8.256 -0.203 25790 1183 1 3 . 1 1 68 68 GLN N N 68 121.970 121.970 118.857 3.113 25790 1184 1 3 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.397 -0.058 25790 1185 1 3 . 1 1 68 68 GLN C C 68 175.120 175.120 175.463 -0.343 25790 1186 1 3 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.074 0.926 25790 1187 1 3 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.762 1.736 25790 1188 1 3 . 1 1 68 68 GLN H H 68 8.314 8.314 8.104 0.210 25790 1189 1 4 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.573 -0.126 25790 1190 1 4 . 1 1 2 2 GLN C C 2 176.144 176.144 175.511 0.633 25790 1191 1 4 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.824 0.385 25790 1192 1 4 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.310 0.149 25790 1193 1 4 . 1 1 3 3 GLN N N 3 122.052 122.052 120.391 1.661 25790 1194 1 4 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.277 0.046 25790 1195 1 4 . 1 1 3 3 GLN C C 3 176.988 176.988 175.600 1.388 25790 1196 1 4 . 1 1 3 3 GLN CA C 3 57.403 57.403 56.297 1.106 25790 1197 1 4 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.976 0.263 25790 1198 1 4 . 1 1 3 3 GLN H H 3 8.780 8.780 8.169 0.611 25790 1199 1 4 . 1 1 4 4 LYS N N 4 121.855 121.855 123.117 -1.262 25790 1200 1 4 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.600 -0.596 25790 1201 1 4 . 1 1 4 4 LYS C C 4 177.638 177.638 178.046 -0.408 25790 1202 1 4 . 1 1 4 4 LYS CA C 4 60.239 60.239 57.488 2.751 25790 1203 1 4 . 1 1 4 4 LYS CB C 4 32.699 32.699 33.895 -1.196 25790 1204 1 4 . 1 1 4 4 LYS H H 4 8.528 8.528 8.632 -0.104 25790 1205 1 4 . 1 1 5 5 GLN N N 5 116.397 116.397 120.074 -3.677 25790 1206 1 4 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.907 0.034 25790 1207 1 4 . 1 1 5 5 GLN C C 5 178.761 178.761 178.100 0.661 25790 1208 1 4 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.333 0.016 25790 1209 1 4 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.866 0.084 25790 1210 1 4 . 1 1 5 5 GLN H H 5 8.223 8.223 8.656 -0.433 25790 1211 1 4 . 1 1 6 6 GLN N N 6 119.262 119.262 117.709 1.553 25790 1212 1 4 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.069 0.059 25790 1213 1 4 . 1 1 6 6 GLN C C 6 179.018 179.018 178.568 0.450 25790 1214 1 4 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.831 0.258 25790 1215 1 4 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.033 0.677 25790 1216 1 4 . 1 1 6 6 GLN H H 6 7.848 7.848 8.763 -0.915 25790 1217 1 4 . 1 1 7 7 ILE N N 7 121.296 121.296 119.881 1.415 25790 1218 1 4 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.706 -0.123 25790 1219 1 4 . 1 1 7 7 ILE C C 7 177.833 177.833 177.912 -0.079 25790 1220 1 4 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.399 0.730 25790 1221 1 4 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.909 0.297 25790 1222 1 4 . 1 1 7 7 ILE H H 7 8.095 8.095 7.502 0.593 25790 1223 1 4 . 1 1 8 8 MET N N 8 117.603 117.603 119.215 -1.612 25790 1224 1 4 . 1 1 8 8 MET HA H 8 3.985 3.985 3.847 0.138 25790 1225 1 4 . 1 1 8 8 MET C C 8 177.355 177.355 178.346 -0.991 25790 1226 1 4 . 1 1 8 8 MET CA C 8 59.932 59.932 59.388 0.544 25790 1227 1 4 . 1 1 8 8 MET CB C 8 32.721 32.721 32.024 0.697 25790 1228 1 4 . 1 1 8 8 MET H H 8 8.672 8.672 7.771 0.901 25790 1229 1 4 . 1 1 9 9 ALA N N 9 118.774 118.774 121.158 -2.384 25790 1230 1 4 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.934 0.112 25790 1231 1 4 . 1 1 9 9 ALA C C 9 180.546 180.546 179.133 1.413 25790 1232 1 4 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.182 0.203 25790 1233 1 4 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.862 0.036 25790 1234 1 4 . 1 1 9 9 ALA H H 9 7.795 7.795 8.457 -0.662 25790 1235 1 4 . 1 1 10 10 ALA N N 10 120.854 120.854 120.892 -0.038 25790 1236 1 4 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.030 0.175 25790 1237 1 4 . 1 1 10 10 ALA C C 10 181.200 181.200 179.684 1.516 25790 1238 1 4 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.693 0.319 25790 1239 1 4 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.217 1.044 25790 1240 1 4 . 1 1 10 10 ALA H H 10 7.438 7.438 7.447 -0.009 25790 1241 1 4 . 1 1 11 11 LEU N N 11 120.775 120.775 118.688 2.087 25790 1242 1 4 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.779 -0.031 25790 1243 1 4 . 1 1 11 11 LEU C C 11 179.041 179.041 178.976 0.065 25790 1244 1 4 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.664 0.682 25790 1245 1 4 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.498 -1.521 25790 1246 1 4 . 1 1 11 11 LEU H H 11 8.757 8.757 7.669 1.088 25790 1247 1 4 . 1 1 12 12 ASN N N 12 116.313 116.313 117.322 -1.009 25790 1248 1 4 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.466 0.098 25790 1249 1 4 . 1 1 12 12 ASN C C 12 178.900 178.900 177.355 1.545 25790 1250 1 4 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.296 -2.231 25790 1251 1 4 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.496 -1.503 25790 1252 1 4 . 1 1 12 12 ASN H H 12 8.850 8.850 8.401 0.449 25790 1253 1 4 . 1 1 13 13 SER N N 13 114.747 114.747 114.895 -0.148 25790 1254 1 4 . 1 1 13 13 SER HA H 13 4.370 4.370 4.140 0.230 25790 1255 1 4 . 1 1 13 13 SER C C 13 176.515 176.515 177.215 -0.700 25790 1256 1 4 . 1 1 13 13 SER CA C 13 61.141 61.141 61.333 -0.192 25790 1257 1 4 . 1 1 13 13 SER CB C 13 63.044 63.044 63.067 -0.023 25790 1258 1 4 . 1 1 13 13 SER H H 13 7.672 7.672 7.616 0.056 25790 1259 1 4 . 1 1 14 14 GLN N N 14 119.954 119.954 118.938 1.016 25790 1260 1 4 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.090 0.128 25790 1261 1 4 . 1 1 14 14 GLN C C 14 178.208 178.208 177.552 0.656 25790 1262 1 4 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.955 -0.206 25790 1263 1 4 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.675 0.025 25790 1264 1 4 . 1 1 14 14 GLN H H 14 7.573 7.573 7.805 -0.232 25790 1265 1 4 . 1 1 15 15 THR N N 15 107.493 107.493 106.713 0.780 25790 1266 1 4 . 1 1 15 15 THR HA H 15 3.899 3.899 4.252 -0.353 25790 1267 1 4 . 1 1 15 15 THR C C 15 174.683 174.683 174.597 0.086 25790 1268 1 4 . 1 1 15 15 THR CA C 15 61.551 61.551 60.492 1.059 25790 1269 1 4 . 1 1 15 15 THR CB C 15 69.226 69.226 68.989 0.237 25790 1270 1 4 . 1 1 15 15 THR H H 15 7.741 7.741 7.393 0.348 25790 1271 1 4 . 1 1 16 16 ALA N N 16 124.034 124.034 126.250 -2.216 25790 1272 1 4 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.933 0.202 25790 1273 1 4 . 1 1 16 16 ALA C C 16 179.899 179.899 178.642 1.257 25790 1274 1 4 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.516 0.691 25790 1275 1 4 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.170 0.554 25790 1276 1 4 . 1 1 16 16 ALA H H 16 6.873 6.873 7.171 -0.298 25790 1277 1 4 . 1 1 17 17 VAL N N 17 117.150 117.150 118.881 -1.731 25790 1278 1 4 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.710 0.004 25790 1279 1 4 . 1 1 17 17 VAL C C 17 178.537 178.537 177.102 1.435 25790 1280 1 4 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.797 1.711 25790 1281 1 4 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.377 0.316 25790 1282 1 4 . 1 1 17 17 VAL H H 17 8.162 8.162 8.293 -0.131 25790 1283 1 4 . 1 1 18 18 GLN N N 18 119.489 119.489 120.788 -1.299 25790 1284 1 4 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.046 0.011 25790 1285 1 4 . 1 1 18 18 GLN C C 18 180.429 180.429 178.478 1.951 25790 1286 1 4 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.278 0.421 25790 1287 1 4 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.414 0.772 25790 1288 1 4 . 1 1 18 18 GLN H H 18 8.451 8.451 8.066 0.385 25790 1289 1 4 . 1 1 19 19 PHE N N 19 117.940 117.940 117.906 0.034 25790 1290 1 4 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.460 0.370 25790 1291 1 4 . 1 1 19 19 PHE C C 19 177.858 177.858 178.187 -0.329 25790 1292 1 4 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.235 -1.206 25790 1293 1 4 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.147 -2.242 25790 1294 1 4 . 1 1 19 19 PHE H H 19 8.924 8.924 8.559 0.365 25790 1295 1 4 . 1 1 20 20 GLN N N 20 120.297 120.297 120.781 -0.484 25790 1296 1 4 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.963 0.143 25790 1297 1 4 . 1 1 20 20 GLN C C 20 178.986 178.986 178.366 0.620 25790 1298 1 4 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.695 -0.132 25790 1299 1 4 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.646 -0.751 25790 1300 1 4 . 1 1 20 20 GLN H H 20 8.264 8.264 8.092 0.172 25790 1301 1 4 . 1 1 21 21 GLN N N 21 118.595 118.595 118.342 0.253 25790 1302 1 4 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.084 -0.002 25790 1303 1 4 . 1 1 21 21 GLN C C 21 178.806 178.806 178.536 0.270 25790 1304 1 4 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.676 0.494 25790 1305 1 4 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.656 -0.460 25790 1306 1 4 . 1 1 21 21 GLN H H 21 8.527 8.527 8.167 0.360 25790 1307 1 4 . 1 1 22 22 TYR N N 22 119.594 119.594 121.877 -2.283 25790 1308 1 4 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.166 0.081 25790 1309 1 4 . 1 1 22 22 TYR C C 22 177.789 177.789 177.145 0.644 25790 1310 1 4 . 1 1 22 22 TYR CA C 22 61.712 61.712 61.089 0.623 25790 1311 1 4 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.474 0.251 25790 1312 1 4 . 1 1 22 22 TYR H H 22 7.843 7.843 8.046 -0.203 25790 1313 1 4 . 1 1 23 23 ALA N N 23 120.663 120.663 119.689 0.974 25790 1314 1 4 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.845 0.012 25790 1315 1 4 . 1 1 23 23 ALA C C 23 179.319 179.319 179.063 0.256 25790 1316 1 4 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.517 1.072 25790 1317 1 4 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.304 0.178 25790 1318 1 4 . 1 1 23 23 ALA H H 23 8.612 8.612 8.399 0.213 25790 1319 1 4 . 1 1 24 24 ALA N N 24 119.002 119.002 120.546 -1.544 25790 1320 1 4 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.080 -0.142 25790 1321 1 4 . 1 1 24 24 ALA C C 24 178.987 178.987 178.615 0.372 25790 1322 1 4 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.238 0.079 25790 1323 1 4 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.495 -0.604 25790 1324 1 4 . 1 1 24 24 ALA H H 24 8.168 8.168 7.720 0.448 25790 1325 1 4 . 1 1 25 25 GLN N N 25 115.599 115.599 115.351 0.248 25790 1326 1 4 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.095 -0.091 25790 1327 1 4 . 1 1 25 25 GLN C C 25 177.818 177.818 177.105 0.713 25790 1328 1 4 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.400 0.054 25790 1329 1 4 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.860 -0.405 25790 1330 1 4 . 1 1 25 25 GLN H H 25 7.300 7.300 7.532 -0.232 25790 1331 1 4 . 1 1 26 26 GLN N N 26 116.989 116.989 117.030 -0.041 25790 1332 1 4 . 1 1 26 26 GLN HA H 26 3.704 3.704 4.049 -0.345 25790 1333 1 4 . 1 1 26 26 GLN C C 26 175.979 175.979 176.037 -0.058 25790 1334 1 4 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.633 0.155 25790 1335 1 4 . 1 1 26 26 GLN CB C 26 29.080 29.080 31.123 -2.043 25790 1336 1 4 . 1 1 26 26 GLN H H 26 7.401 7.401 7.334 0.067 25790 1337 1 4 . 1 1 27 27 TYR N N 27 114.712 114.712 118.477 -3.765 25790 1338 1 4 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.992 0.086 25790 1339 1 4 . 1 1 27 27 TYR C C 27 172.931 172.931 173.695 -0.764 25790 1340 1 4 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.028 1.139 25790 1341 1 4 . 1 1 27 27 TYR CB C 27 39.660 39.660 37.965 1.695 25790 1342 1 4 . 1 1 27 27 TYR H H 27 7.675 7.675 8.310 -0.635 25790 1343 1 4 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.359 0.003 25790 1344 1 4 . 1 1 28 28 PRO C C 28 179.333 179.333 177.942 1.391 25790 1345 1 4 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.937 0.457 25790 1346 1 4 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.487 -1.233 25790 1347 1 4 . 1 1 29 29 GLY N N 29 110.091 110.091 112.620 -2.529 25790 1348 1 4 . 1 1 29 29 GLY C C 29 173.218 173.218 174.309 -1.091 25790 1349 1 4 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.173 0.739 25790 1350 1 4 . 1 1 29 29 GLY H H 29 8.826 8.826 8.707 0.119 25790 1351 1 4 . 1 1 30 30 ASN N N 30 118.603 118.603 121.385 -2.782 25790 1352 1 4 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.042 -0.043 25790 1353 1 4 . 1 1 30 30 ASN C C 30 173.977 173.977 174.386 -0.409 25790 1354 1 4 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.977 -0.792 25790 1355 1 4 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.678 -0.252 25790 1356 1 4 . 1 1 30 30 ASN H H 30 7.293 7.293 7.781 -0.488 25790 1357 1 4 . 1 1 31 31 TYR N N 31 125.240 125.240 125.644 -0.404 25790 1358 1 4 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.329 -0.431 25790 1359 1 4 . 1 1 31 31 TYR C C 31 177.343 177.343 176.672 0.671 25790 1360 1 4 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.126 -0.315 25790 1361 1 4 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.925 -0.568 25790 1362 1 4 . 1 1 31 31 TYR H H 31 8.509 8.509 8.372 0.137 25790 1363 1 4 . 1 1 32 32 GLU N N 32 118.993 118.993 116.599 2.394 25790 1364 1 4 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.715 0.185 25790 1365 1 4 . 1 1 32 32 GLU C C 32 179.549 179.549 178.512 1.037 25790 1366 1 4 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.525 0.587 25790 1367 1 4 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.027 1.141 25790 1368 1 4 . 1 1 32 32 GLU H H 32 8.714 8.714 8.760 -0.046 25790 1369 1 4 . 1 1 33 33 GLN N N 33 117.037 117.037 118.567 -1.530 25790 1370 1 4 . 1 1 33 33 GLN HA H 33 3.733 3.733 4.064 -0.331 25790 1371 1 4 . 1 1 33 33 GLN C C 33 179.119 179.119 178.799 0.320 25790 1372 1 4 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.450 -0.748 25790 1373 1 4 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.698 -0.072 25790 1374 1 4 . 1 1 33 33 GLN H H 33 7.536 7.536 8.328 -0.792 25790 1375 1 4 . 1 1 34 34 GLN N N 34 117.723 117.723 119.755 -2.032 25790 1376 1 4 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.096 -0.285 25790 1377 1 4 . 1 1 34 34 GLN C C 34 177.634 177.634 178.644 -1.010 25790 1378 1 4 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.593 0.572 25790 1379 1 4 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.442 -0.941 25790 1380 1 4 . 1 1 34 34 GLN H H 34 7.968 7.968 8.437 -0.469 25790 1381 1 4 . 1 1 35 35 GLN N N 35 115.293 115.293 118.537 -3.244 25790 1382 1 4 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.060 -0.269 25790 1383 1 4 . 1 1 35 35 GLN C C 35 178.757 178.757 178.632 0.125 25790 1384 1 4 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.130 0.480 25790 1385 1 4 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.197 0.008 25790 1386 1 4 . 1 1 35 35 GLN H H 35 7.870 7.870 7.628 0.242 25790 1387 1 4 . 1 1 36 36 ILE N N 36 120.769 120.769 121.221 -0.452 25790 1388 1 4 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.678 -0.114 25790 1389 1 4 . 1 1 36 36 ILE C C 36 178.273 178.273 178.115 0.158 25790 1390 1 4 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.289 -0.053 25790 1391 1 4 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.779 0.594 25790 1392 1 4 . 1 1 36 36 ILE H H 36 7.503 7.503 7.808 -0.305 25790 1393 1 4 . 1 1 37 37 LEU N N 37 121.056 121.056 121.993 -0.937 25790 1394 1 4 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.184 0.125 25790 1395 1 4 . 1 1 37 37 LEU C C 37 178.348 178.348 178.734 -0.386 25790 1396 1 4 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.007 -0.273 25790 1397 1 4 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.952 -0.436 25790 1398 1 4 . 1 1 37 37 LEU H H 37 7.678 7.678 8.351 -0.673 25790 1399 1 4 . 1 1 38 38 ILE N N 38 119.334 119.334 118.933 0.401 25790 1400 1 4 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.542 -0.201 25790 1401 1 4 . 1 1 38 38 ILE C C 38 177.371 177.371 177.772 -0.401 25790 1402 1 4 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.739 1.346 25790 1403 1 4 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.570 0.779 25790 1404 1 4 . 1 1 38 38 ILE H H 38 8.702 8.702 7.959 0.743 25790 1405 1 4 . 1 1 39 39 ARG N N 39 117.798 117.798 120.226 -2.428 25790 1406 1 4 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.851 0.364 25790 1407 1 4 . 1 1 39 39 ARG C C 39 179.555 179.555 178.663 0.892 25790 1408 1 4 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.262 -0.803 25790 1409 1 4 . 1 1 39 39 ARG CB C 39 29.752 29.752 30.105 -0.353 25790 1410 1 4 . 1 1 39 39 ARG H H 39 7.739 7.739 8.217 -0.478 25790 1411 1 4 . 1 1 40 40 GLN N N 40 119.432 119.432 118.966 0.466 25790 1412 1 4 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.089 0.048 25790 1413 1 4 . 1 1 40 40 GLN C C 40 179.522 179.522 178.765 0.757 25790 1414 1 4 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.280 -0.020 25790 1415 1 4 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.453 -0.095 25790 1416 1 4 . 1 1 40 40 GLN H H 40 7.811 7.811 7.837 -0.026 25790 1417 1 4 . 1 1 41 41 LEU N N 41 121.592 121.592 120.439 1.153 25790 1418 1 4 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.852 -0.165 25790 1419 1 4 . 1 1 41 41 LEU C C 41 178.974 178.974 179.666 -0.692 25790 1420 1 4 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.835 0.128 25790 1421 1 4 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.004 -1.151 25790 1422 1 4 . 1 1 41 41 LEU H H 41 8.648 8.648 8.455 0.193 25790 1423 1 4 . 1 1 42 42 GLN N N 42 119.054 119.054 118.345 0.709 25790 1424 1 4 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.315 0.229 25790 1425 1 4 . 1 1 42 42 GLN C C 42 180.176 180.176 178.978 1.198 25790 1426 1 4 . 1 1 42 42 GLN CA C 42 59.234 59.234 58.897 0.337 25790 1427 1 4 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.299 -0.379 25790 1428 1 4 . 1 1 42 42 GLN H H 42 8.641 8.641 8.728 -0.087 25790 1429 1 4 . 1 1 43 43 GLU N N 43 121.517 121.517 119.778 1.739 25790 1430 1 4 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.081 0.155 25790 1431 1 4 . 1 1 43 43 GLU C C 43 179.721 179.721 179.044 0.677 25790 1432 1 4 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.378 0.289 25790 1433 1 4 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.359 -0.101 25790 1434 1 4 . 1 1 43 43 GLU H H 43 8.111 8.111 7.921 0.190 25790 1435 1 4 . 1 1 44 44 GLN N N 44 119.240 119.240 119.215 0.025 25790 1436 1 4 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.105 0.011 25790 1437 1 4 . 1 1 44 44 GLN C C 44 179.012 179.012 178.734 0.278 25790 1438 1 4 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.302 0.847 25790 1439 1 4 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.456 0.398 25790 1440 1 4 . 1 1 44 44 GLN H H 44 8.372 8.372 8.249 0.123 25790 1441 1 4 . 1 1 45 45 HIS N N 45 121.705 121.705 118.669 3.036 25790 1442 1 4 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.373 -0.093 25790 1443 1 4 . 1 1 45 45 HIS C C 45 176.395 176.395 177.672 -1.277 25790 1444 1 4 . 1 1 45 45 HIS CA C 45 60.359 60.359 60.062 0.297 25790 1445 1 4 . 1 1 45 45 HIS CB C 45 32.325 32.325 29.987 2.338 25790 1446 1 4 . 1 1 45 45 HIS H H 45 9.472 9.472 8.478 0.994 25790 1447 1 4 . 1 1 46 46 TYR N N 46 119.039 119.039 120.533 -1.494 25790 1448 1 4 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.225 -0.376 25790 1449 1 4 . 1 1 46 46 TYR C C 46 176.664 176.664 177.312 -0.648 25790 1450 1 4 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.347 0.904 25790 1451 1 4 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.405 -0.733 25790 1452 1 4 . 1 1 46 46 TYR H H 46 8.253 8.253 8.281 -0.028 25790 1453 1 4 . 1 1 47 47 GLN N N 47 116.407 116.407 117.336 -0.929 25790 1454 1 4 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.891 -0.107 25790 1455 1 4 . 1 1 47 47 GLN C C 47 179.048 179.048 178.463 0.585 25790 1456 1 4 . 1 1 47 47 GLN CA C 47 58.949 58.949 58.634 0.315 25790 1457 1 4 . 1 1 47 47 GLN CB C 47 28.181 28.181 27.635 0.546 25790 1458 1 4 . 1 1 47 47 GLN H H 47 7.814 7.814 7.848 -0.034 25790 1459 1 4 . 1 1 48 48 GLN N N 48 119.803 119.803 120.604 -0.801 25790 1460 1 4 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.249 -0.272 25790 1461 1 4 . 1 1 48 48 GLN C C 48 177.741 177.741 178.471 -0.730 25790 1462 1 4 . 1 1 48 48 GLN CA C 48 58.314 58.314 59.048 -0.735 25790 1463 1 4 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.300 0.027 25790 1464 1 4 . 1 1 48 48 GLN H H 48 8.645 8.645 7.832 0.813 25790 1465 1 4 . 1 1 49 49 TYR N N 49 121.342 121.342 120.773 0.569 25790 1466 1 4 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.109 -0.469 25790 1467 1 4 . 1 1 49 49 TYR C C 49 176.021 176.021 177.670 -1.649 25790 1468 1 4 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.767 0.341 25790 1469 1 4 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.413 0.494 25790 1470 1 4 . 1 1 49 49 TYR H H 49 9.105 9.105 7.565 1.540 25790 1471 1 4 . 1 1 50 50 MET N N 50 115.522 115.522 118.569 -3.047 25790 1472 1 4 . 1 1 50 50 MET HA H 50 4.040 4.040 3.889 0.151 25790 1473 1 4 . 1 1 50 50 MET C C 50 179.841 179.841 178.146 1.695 25790 1474 1 4 . 1 1 50 50 MET CA C 50 56.623 56.623 58.623 -2.000 25790 1475 1 4 . 1 1 50 50 MET CB C 50 30.099 30.099 32.308 -2.209 25790 1476 1 4 . 1 1 50 50 MET H H 50 8.060 8.060 7.953 0.107 25790 1477 1 4 . 1 1 51 51 GLN N N 51 118.942 118.942 118.084 0.858 25790 1478 1 4 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.938 0.127 25790 1479 1 4 . 1 1 51 51 GLN C C 51 178.707 178.707 178.460 0.247 25790 1480 1 4 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.952 -0.011 25790 1481 1 4 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.547 -0.058 25790 1482 1 4 . 1 1 51 51 GLN H H 51 7.830 7.830 8.359 -0.529 25790 1483 1 4 . 1 1 52 52 GLN N N 52 119.210 119.210 120.390 -1.180 25790 1484 1 4 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.056 0.001 25790 1485 1 4 . 1 1 52 52 GLN C C 52 178.738 178.738 178.260 0.478 25790 1486 1 4 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.357 0.392 25790 1487 1 4 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.090 0.313 25790 1488 1 4 . 1 1 52 52 GLN H H 52 8.187 8.187 8.104 0.083 25790 1489 1 4 . 1 1 53 53 LEU N N 53 121.233 121.233 119.513 1.720 25790 1490 1 4 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.883 -0.042 25790 1491 1 4 . 1 1 53 53 LEU C C 53 179.191 179.191 178.755 0.436 25790 1492 1 4 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.484 0.261 25790 1493 1 4 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.538 0.328 25790 1494 1 4 . 1 1 53 53 LEU H H 53 8.441 8.441 7.844 0.597 25790 1495 1 4 . 1 1 54 54 TYR N N 54 118.505 118.505 120.073 -1.568 25790 1496 1 4 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.017 0.301 25790 1497 1 4 . 1 1 54 54 TYR C C 54 177.535 177.535 177.290 0.245 25790 1498 1 4 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.576 -1.099 25790 1499 1 4 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.980 -0.194 25790 1500 1 4 . 1 1 54 54 TYR H H 54 7.819 7.819 7.801 0.018 25790 1501 1 4 . 1 1 55 55 GLN N N 55 117.299 117.299 118.550 -1.251 25790 1502 1 4 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.507 0.392 25790 1503 1 4 . 1 1 55 55 GLN C C 55 179.041 179.041 178.246 0.795 25790 1504 1 4 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.724 -0.014 25790 1505 1 4 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.588 -0.373 25790 1506 1 4 . 1 1 55 55 GLN H H 55 7.735 7.735 7.637 0.098 25790 1507 1 4 . 1 1 56 56 VAL N N 56 120.879 120.879 120.834 0.045 25790 1508 1 4 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.580 0.212 25790 1509 1 4 . 1 1 56 56 VAL C C 56 178.262 178.262 178.033 0.229 25790 1510 1 4 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.637 -0.695 25790 1511 1 4 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.130 0.749 25790 1512 1 4 . 1 1 56 56 VAL H H 56 8.014 8.014 7.903 0.111 25790 1513 1 4 . 1 1 57 57 GLN N N 57 120.513 120.513 119.200 1.313 25790 1514 1 4 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.006 0.054 25790 1515 1 4 . 1 1 57 57 GLN C C 57 178.772 178.772 178.923 -0.151 25790 1516 1 4 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.880 -0.264 25790 1517 1 4 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.681 -0.696 25790 1518 1 4 . 1 1 57 57 GLN H H 57 8.103 8.103 7.986 0.117 25790 1519 1 4 . 1 1 58 58 LEU N N 58 121.244 121.244 119.568 1.676 25790 1520 1 4 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.915 0.090 25790 1521 1 4 . 1 1 58 58 LEU C C 58 179.134 179.134 178.606 0.528 25790 1522 1 4 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.262 0.244 25790 1523 1 4 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.317 0.486 25790 1524 1 4 . 1 1 58 58 LEU H H 58 8.176 8.176 8.040 0.136 25790 1525 1 4 . 1 1 59 59 ALA N N 59 121.608 121.608 121.746 -0.138 25790 1526 1 4 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.836 0.329 25790 1527 1 4 . 1 1 59 59 ALA C C 59 180.497 180.497 179.817 0.680 25790 1528 1 4 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.209 -0.627 25790 1529 1 4 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.922 0.131 25790 1530 1 4 . 1 1 59 59 ALA H H 59 7.833 7.833 8.097 -0.264 25790 1531 1 4 . 1 1 60 60 GLN N N 60 118.335 118.335 117.702 0.633 25790 1532 1 4 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.912 0.236 25790 1533 1 4 . 1 1 60 60 GLN C C 60 178.334 178.334 178.837 -0.503 25790 1534 1 4 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.904 -0.927 25790 1535 1 4 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.614 -0.179 25790 1536 1 4 . 1 1 60 60 GLN H H 60 8.081 8.081 7.790 0.291 25790 1537 1 4 . 1 1 61 61 GLN N N 61 120.206 120.206 119.229 0.977 25790 1538 1 4 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.982 0.180 25790 1539 1 4 . 1 1 61 61 GLN C C 61 178.002 178.002 178.636 -0.634 25790 1540 1 4 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.873 -0.968 25790 1541 1 4 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.526 0.053 25790 1542 1 4 . 1 1 61 61 GLN H H 61 8.111 8.111 7.674 0.437 25790 1543 1 4 . 1 1 62 62 GLN N N 62 118.980 118.980 118.726 0.254 25790 1544 1 4 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.003 0.126 25790 1545 1 4 . 1 1 62 62 GLN C C 62 177.624 177.624 178.368 -0.744 25790 1546 1 4 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.838 -1.202 25790 1547 1 4 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.355 0.281 25790 1548 1 4 . 1 1 62 62 GLN H H 62 8.203 8.203 8.366 -0.163 25790 1549 1 4 . 1 1 63 63 ALA N N 63 122.712 122.712 121.096 1.616 25790 1550 1 4 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.003 0.203 25790 1551 1 4 . 1 1 63 63 ALA C C 63 178.922 178.922 178.544 0.378 25790 1552 1 4 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.694 -0.798 25790 1553 1 4 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.423 0.036 25790 1554 1 4 . 1 1 63 63 ALA H H 63 8.004 8.004 7.941 0.063 25790 1555 1 4 . 1 1 64 64 ALA N N 64 120.813 120.813 120.127 0.686 25790 1556 1 4 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.229 0.003 25790 1557 1 4 . 1 1 64 64 ALA C C 64 178.732 178.732 178.676 0.056 25790 1558 1 4 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.613 -0.097 25790 1559 1 4 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.381 -0.751 25790 1560 1 4 . 1 1 64 64 ALA H H 64 7.837 7.837 7.521 0.316 25790 1561 1 4 . 1 1 65 65 LEU N N 65 119.196 119.196 117.612 1.584 25790 1562 1 4 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.240 0.017 25790 1563 1 4 . 1 1 65 65 LEU C C 65 178.038 178.038 177.589 0.449 25790 1564 1 4 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.664 0.158 25790 1565 1 4 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.816 -0.553 25790 1566 1 4 . 1 1 65 65 LEU H H 65 7.765 7.765 7.727 0.038 25790 1567 1 4 . 1 1 66 66 GLN N N 66 119.365 119.365 114.576 4.789 25790 1568 1 4 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.903 0.372 25790 1569 1 4 . 1 1 66 66 GLN C C 66 176.120 176.120 175.415 0.705 25790 1570 1 4 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.529 -0.462 25790 1571 1 4 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.650 2.482 25790 1572 1 4 . 1 1 66 66 GLN H H 66 7.967 7.967 7.821 0.146 25790 1573 1 4 . 1 1 67 67 LYS N N 67 121.521 121.521 118.925 2.596 25790 1574 1 4 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.295 0.014 25790 1575 1 4 . 1 1 67 67 LYS C C 67 176.437 176.437 176.481 -0.044 25790 1576 1 4 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.362 0.027 25790 1577 1 4 . 1 1 67 67 LYS CB C 67 33.041 33.041 29.830 3.211 25790 1578 1 4 . 1 1 67 67 LYS H H 67 8.053 8.053 8.209 -0.156 25790 1579 1 4 . 1 1 68 68 GLN N N 68 121.970 121.970 120.509 1.461 25790 1580 1 4 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.343 -0.004 25790 1581 1 4 . 1 1 68 68 GLN C C 68 175.120 175.120 175.096 0.024 25790 1582 1 4 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.446 0.554 25790 1583 1 4 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.144 0.354 25790 1584 1 4 . 1 1 68 68 GLN H H 68 8.314 8.314 7.875 0.439 25790 1585 1 5 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.278 0.169 25790 1586 1 5 . 1 1 2 2 GLN C C 2 176.144 176.144 175.971 0.173 25790 1587 1 5 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.341 -0.132 25790 1588 1 5 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.172 0.286 25790 1589 1 5 . 1 1 3 3 GLN N N 3 122.052 122.052 113.765 8.287 25790 1590 1 5 . 1 1 3 3 GLN HA H 3 4.323 4.323 3.915 0.408 25790 1591 1 5 . 1 1 3 3 GLN C C 3 176.988 176.988 176.847 0.141 25790 1592 1 5 . 1 1 3 3 GLN CA C 3 57.403 57.403 57.105 0.298 25790 1593 1 5 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.400 1.839 25790 1594 1 5 . 1 1 3 3 GLN H H 3 8.780 8.780 8.667 0.113 25790 1595 1 5 . 1 1 4 4 LYS N N 4 121.855 121.855 119.767 2.088 25790 1596 1 5 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.894 0.110 25790 1597 1 5 . 1 1 4 4 LYS C C 4 177.638 177.638 178.028 -0.390 25790 1598 1 5 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.611 0.628 25790 1599 1 5 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.245 0.454 25790 1600 1 5 . 1 1 4 4 LYS H H 4 8.528 8.528 7.550 0.978 25790 1601 1 5 . 1 1 5 5 GLN N N 5 116.397 116.397 117.355 -0.958 25790 1602 1 5 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.959 -0.018 25790 1603 1 5 . 1 1 5 5 GLN C C 5 178.761 178.761 178.225 0.536 25790 1604 1 5 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.037 0.312 25790 1605 1 5 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.946 0.004 25790 1606 1 5 . 1 1 5 5 GLN H H 5 8.223 8.223 8.629 -0.406 25790 1607 1 5 . 1 1 6 6 GLN N N 6 119.262 119.262 118.289 0.973 25790 1608 1 5 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.071 0.057 25790 1609 1 5 . 1 1 6 6 GLN C C 6 179.018 179.018 178.688 0.330 25790 1610 1 5 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.813 0.276 25790 1611 1 5 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.433 0.277 25790 1612 1 5 . 1 1 6 6 GLN H H 6 7.848 7.848 7.676 0.172 25790 1613 1 5 . 1 1 7 7 ILE N N 7 121.296 121.296 119.744 1.552 25790 1614 1 5 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.733 -0.150 25790 1615 1 5 . 1 1 7 7 ILE C C 7 177.833 177.833 177.946 -0.113 25790 1616 1 5 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.925 0.204 25790 1617 1 5 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.861 0.345 25790 1618 1 5 . 1 1 7 7 ILE H H 7 8.095 8.095 7.410 0.685 25790 1619 1 5 . 1 1 8 8 MET N N 8 117.603 117.603 118.940 -1.337 25790 1620 1 5 . 1 1 8 8 MET HA H 8 3.985 3.985 3.983 0.002 25790 1621 1 5 . 1 1 8 8 MET C C 8 177.355 177.355 178.344 -0.989 25790 1622 1 5 . 1 1 8 8 MET CA C 8 59.932 59.932 59.458 0.474 25790 1623 1 5 . 1 1 8 8 MET CB C 8 32.721 32.721 32.145 0.576 25790 1624 1 5 . 1 1 8 8 MET H H 8 8.672 8.672 7.894 0.778 25790 1625 1 5 . 1 1 9 9 ALA N N 9 118.774 118.774 121.583 -2.809 25790 1626 1 5 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.973 0.073 25790 1627 1 5 . 1 1 9 9 ALA C C 9 180.546 180.546 179.206 1.340 25790 1628 1 5 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.120 0.265 25790 1629 1 5 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.792 0.106 25790 1630 1 5 . 1 1 9 9 ALA H H 9 7.795 7.795 8.191 -0.396 25790 1631 1 5 . 1 1 10 10 ALA N N 10 120.854 120.854 121.590 -0.736 25790 1632 1 5 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.009 0.196 25790 1633 1 5 . 1 1 10 10 ALA C C 10 181.200 181.200 179.598 1.602 25790 1634 1 5 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.925 0.087 25790 1635 1 5 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.134 1.127 25790 1636 1 5 . 1 1 10 10 ALA H H 10 7.438 7.438 7.467 -0.029 25790 1637 1 5 . 1 1 11 11 LEU N N 11 120.775 120.775 118.423 2.352 25790 1638 1 5 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.695 0.053 25790 1639 1 5 . 1 1 11 11 LEU C C 11 179.041 179.041 179.286 -0.245 25790 1640 1 5 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.867 0.478 25790 1641 1 5 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.208 -1.231 25790 1642 1 5 . 1 1 11 11 LEU H H 11 8.757 8.757 7.745 1.012 25790 1643 1 5 . 1 1 12 12 ASN N N 12 116.313 116.313 118.430 -2.117 25790 1644 1 5 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.565 -0.001 25790 1645 1 5 . 1 1 12 12 ASN C C 12 178.900 178.900 177.671 1.229 25790 1646 1 5 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.292 -2.227 25790 1647 1 5 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.546 -1.553 25790 1648 1 5 . 1 1 12 12 ASN H H 12 8.850 8.850 8.587 0.263 25790 1649 1 5 . 1 1 13 13 SER N N 13 114.747 114.747 115.981 -1.234 25790 1650 1 5 . 1 1 13 13 SER HA H 13 4.370 4.370 4.107 0.263 25790 1651 1 5 . 1 1 13 13 SER C C 13 176.515 176.515 176.294 0.221 25790 1652 1 5 . 1 1 13 13 SER CA C 13 61.141 61.141 60.944 0.197 25790 1653 1 5 . 1 1 13 13 SER CB C 13 63.044 63.044 63.084 -0.040 25790 1654 1 5 . 1 1 13 13 SER H H 13 7.672 7.672 7.974 -0.302 25790 1655 1 5 . 1 1 14 14 GLN N N 14 119.954 119.954 117.686 2.268 25790 1656 1 5 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.152 0.066 25790 1657 1 5 . 1 1 14 14 GLN C C 14 178.208 178.208 177.776 0.432 25790 1658 1 5 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.931 -0.182 25790 1659 1 5 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.291 -0.591 25790 1660 1 5 . 1 1 14 14 GLN H H 14 7.573 7.573 7.677 -0.104 25790 1661 1 5 . 1 1 15 15 THR N N 15 107.493 107.493 107.499 -0.006 25790 1662 1 5 . 1 1 15 15 THR HA H 15 3.899 3.899 4.299 -0.400 25790 1663 1 5 . 1 1 15 15 THR C C 15 174.683 174.683 175.319 -0.636 25790 1664 1 5 . 1 1 15 15 THR CA C 15 61.551 61.551 61.319 0.232 25790 1665 1 5 . 1 1 15 15 THR CB C 15 69.226 69.226 69.340 -0.114 25790 1666 1 5 . 1 1 15 15 THR H H 15 7.741 7.741 7.825 -0.084 25790 1667 1 5 . 1 1 16 16 ALA N N 16 124.034 124.034 126.389 -2.355 25790 1668 1 5 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.003 0.132 25790 1669 1 5 . 1 1 16 16 ALA C C 16 179.899 179.899 178.722 1.177 25790 1670 1 5 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.588 0.619 25790 1671 1 5 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.970 0.754 25790 1672 1 5 . 1 1 16 16 ALA H H 16 6.873 6.873 7.819 -0.946 25790 1673 1 5 . 1 1 17 17 VAL N N 17 117.150 117.150 118.112 -0.962 25790 1674 1 5 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.736 -0.022 25790 1675 1 5 . 1 1 17 17 VAL C C 17 178.537 178.537 177.372 1.165 25790 1676 1 5 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.523 1.985 25790 1677 1 5 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.406 0.287 25790 1678 1 5 . 1 1 17 17 VAL H H 17 8.162 8.162 8.274 -0.112 25790 1679 1 5 . 1 1 18 18 GLN N N 18 119.489 119.489 120.424 -0.935 25790 1680 1 5 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.064 -0.007 25790 1681 1 5 . 1 1 18 18 GLN C C 18 180.429 180.429 178.641 1.788 25790 1682 1 5 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.172 0.527 25790 1683 1 5 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.472 0.714 25790 1684 1 5 . 1 1 18 18 GLN H H 18 8.451 8.451 8.119 0.332 25790 1685 1 5 . 1 1 19 19 PHE N N 19 117.940 117.940 117.912 0.028 25790 1686 1 5 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.523 0.307 25790 1687 1 5 . 1 1 19 19 PHE C C 19 177.858 177.858 177.974 -0.116 25790 1688 1 5 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.864 -0.835 25790 1689 1 5 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.312 -2.406 25790 1690 1 5 . 1 1 19 19 PHE H H 19 8.924 8.924 8.672 0.252 25790 1691 1 5 . 1 1 20 20 GLN N N 20 120.297 120.297 120.982 -0.685 25790 1692 1 5 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.949 0.157 25790 1693 1 5 . 1 1 20 20 GLN C C 20 178.986 178.986 178.177 0.809 25790 1694 1 5 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.804 -0.241 25790 1695 1 5 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.583 -0.688 25790 1696 1 5 . 1 1 20 20 GLN H H 20 8.264 8.264 8.006 0.258 25790 1697 1 5 . 1 1 21 21 GLN N N 21 118.595 118.595 117.969 0.626 25790 1698 1 5 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.074 0.008 25790 1699 1 5 . 1 1 21 21 GLN C C 21 178.806 178.806 178.546 0.260 25790 1700 1 5 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.504 0.666 25790 1701 1 5 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.301 -0.105 25790 1702 1 5 . 1 1 21 21 GLN H H 21 8.527 8.527 7.874 0.653 25790 1703 1 5 . 1 1 22 22 TYR N N 22 119.594 119.594 121.484 -1.890 25790 1704 1 5 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.144 0.103 25790 1705 1 5 . 1 1 22 22 TYR C C 22 177.789 177.789 177.208 0.581 25790 1706 1 5 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.803 0.909 25790 1707 1 5 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.395 0.329 25790 1708 1 5 . 1 1 22 22 TYR H H 22 7.843 7.843 7.651 0.192 25790 1709 1 5 . 1 1 23 23 ALA N N 23 120.663 120.663 121.261 -0.598 25790 1710 1 5 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.734 0.123 25790 1711 1 5 . 1 1 23 23 ALA C C 23 179.319 179.319 178.652 0.667 25790 1712 1 5 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.905 0.684 25790 1713 1 5 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.249 0.233 25790 1714 1 5 . 1 1 23 23 ALA H H 23 8.612 8.612 8.641 -0.029 25790 1715 1 5 . 1 1 24 24 ALA N N 24 119.002 119.002 119.883 -0.881 25790 1716 1 5 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.122 -0.184 25790 1717 1 5 . 1 1 24 24 ALA C C 24 178.987 178.987 178.808 0.179 25790 1718 1 5 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.201 0.116 25790 1719 1 5 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.498 -0.607 25790 1720 1 5 . 1 1 24 24 ALA H H 24 8.168 8.168 8.143 0.025 25790 1721 1 5 . 1 1 25 25 GLN N N 25 115.599 115.599 116.027 -0.428 25790 1722 1 5 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.038 -0.034 25790 1723 1 5 . 1 1 25 25 GLN C C 25 177.818 177.818 177.092 0.726 25790 1724 1 5 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.020 -0.566 25790 1725 1 5 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.469 -0.014 25790 1726 1 5 . 1 1 25 25 GLN H H 25 7.300 7.300 7.544 -0.244 25790 1727 1 5 . 1 1 26 26 GLN N N 26 116.989 116.989 116.821 0.168 25790 1728 1 5 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.985 -0.281 25790 1729 1 5 . 1 1 26 26 GLN C C 26 175.979 175.979 176.163 -0.184 25790 1730 1 5 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.041 -0.253 25790 1731 1 5 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.578 -1.498 25790 1732 1 5 . 1 1 26 26 GLN H H 26 7.401 7.401 7.187 0.214 25790 1733 1 5 . 1 1 27 27 TYR N N 27 114.712 114.712 117.805 -3.093 25790 1734 1 5 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.987 0.091 25790 1735 1 5 . 1 1 27 27 TYR C C 27 172.931 172.931 173.711 -0.780 25790 1736 1 5 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.032 1.135 25790 1737 1 5 . 1 1 27 27 TYR CB C 27 39.660 39.660 37.977 1.683 25790 1738 1 5 . 1 1 27 27 TYR H H 27 7.675 7.675 8.228 -0.553 25790 1739 1 5 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.429 -0.067 25790 1740 1 5 . 1 1 28 28 PRO C C 28 179.333 179.333 177.850 1.483 25790 1741 1 5 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.009 0.385 25790 1742 1 5 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.483 -1.229 25790 1743 1 5 . 1 1 29 29 GLY N N 29 110.091 110.091 113.073 -2.982 25790 1744 1 5 . 1 1 29 29 GLY C C 29 173.218 173.218 174.636 -1.418 25790 1745 1 5 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.353 0.559 25790 1746 1 5 . 1 1 29 29 GLY H H 29 8.826 8.826 8.703 0.123 25790 1747 1 5 . 1 1 30 30 ASN N N 30 118.603 118.603 122.265 -3.662 25790 1748 1 5 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.972 0.027 25790 1749 1 5 . 1 1 30 30 ASN C C 30 173.977 173.977 174.990 -1.013 25790 1750 1 5 . 1 1 30 30 ASN CA C 30 51.185 51.185 52.052 -0.867 25790 1751 1 5 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.095 0.331 25790 1752 1 5 . 1 1 30 30 ASN H H 30 7.293 7.293 7.723 -0.430 25790 1753 1 5 . 1 1 31 31 TYR N N 31 125.240 125.240 126.229 -0.989 25790 1754 1 5 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.109 -0.211 25790 1755 1 5 . 1 1 31 31 TYR C C 31 177.343 177.343 176.618 0.725 25790 1756 1 5 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.553 -0.742 25790 1757 1 5 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.874 -0.517 25790 1758 1 5 . 1 1 31 31 TYR H H 31 8.509 8.509 7.979 0.530 25790 1759 1 5 . 1 1 32 32 GLU N N 32 118.993 118.993 116.695 2.298 25790 1760 1 5 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.790 0.110 25790 1761 1 5 . 1 1 32 32 GLU C C 32 179.549 179.549 178.609 0.940 25790 1762 1 5 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.596 0.516 25790 1763 1 5 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.070 1.098 25790 1764 1 5 . 1 1 32 32 GLU H H 32 8.714 8.714 8.820 -0.106 25790 1765 1 5 . 1 1 33 33 GLN N N 33 117.037 117.037 118.492 -1.455 25790 1766 1 5 . 1 1 33 33 GLN HA H 33 3.733 3.733 4.083 -0.350 25790 1767 1 5 . 1 1 33 33 GLN C C 33 179.119 179.119 178.807 0.312 25790 1768 1 5 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.330 -0.628 25790 1769 1 5 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.604 0.022 25790 1770 1 5 . 1 1 33 33 GLN H H 33 7.536 7.536 8.306 -0.770 25790 1771 1 5 . 1 1 34 34 GLN N N 34 117.723 117.723 119.901 -2.178 25790 1772 1 5 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.097 -0.286 25790 1773 1 5 . 1 1 34 34 GLN C C 34 177.634 177.634 178.623 -0.989 25790 1774 1 5 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.634 0.531 25790 1775 1 5 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.458 -0.957 25790 1776 1 5 . 1 1 34 34 GLN H H 34 7.968 7.968 8.621 -0.653 25790 1777 1 5 . 1 1 35 35 GLN N N 35 115.293 115.293 118.481 -3.188 25790 1778 1 5 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.089 -0.298 25790 1779 1 5 . 1 1 35 35 GLN C C 35 178.757 178.757 178.621 0.136 25790 1780 1 5 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.051 0.559 25790 1781 1 5 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.242 -0.037 25790 1782 1 5 . 1 1 35 35 GLN H H 35 7.870 7.870 7.585 0.285 25790 1783 1 5 . 1 1 36 36 ILE N N 36 120.769 120.769 121.183 -0.414 25790 1784 1 5 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.695 -0.131 25790 1785 1 5 . 1 1 36 36 ILE C C 36 178.273 178.273 178.241 0.032 25790 1786 1 5 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.225 0.011 25790 1787 1 5 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.740 0.633 25790 1788 1 5 . 1 1 36 36 ILE H H 36 7.503 7.503 7.802 -0.299 25790 1789 1 5 . 1 1 37 37 LEU N N 37 121.056 121.056 121.723 -0.667 25790 1790 1 5 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.096 0.213 25790 1791 1 5 . 1 1 37 37 LEU C C 37 178.348 178.348 178.252 0.096 25790 1792 1 5 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.130 -0.396 25790 1793 1 5 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.752 -0.236 25790 1794 1 5 . 1 1 37 37 LEU H H 37 7.678 7.678 8.355 -0.677 25790 1795 1 5 . 1 1 38 38 ILE N N 38 119.334 119.334 119.111 0.223 25790 1796 1 5 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.584 -0.243 25790 1797 1 5 . 1 1 38 38 ILE C C 38 177.371 177.371 177.903 -0.532 25790 1798 1 5 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.763 1.321 25790 1799 1 5 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.604 0.745 25790 1800 1 5 . 1 1 38 38 ILE H H 38 8.702 8.702 8.036 0.666 25790 1801 1 5 . 1 1 39 39 ARG N N 39 117.798 117.798 119.359 -1.561 25790 1802 1 5 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.897 0.318 25790 1803 1 5 . 1 1 39 39 ARG C C 39 179.555 179.555 178.503 1.052 25790 1804 1 5 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.208 -0.749 25790 1805 1 5 . 1 1 39 39 ARG CB C 39 29.752 29.752 30.081 -0.329 25790 1806 1 5 . 1 1 39 39 ARG H H 39 7.739 7.739 8.465 -0.726 25790 1807 1 5 . 1 1 40 40 GLN N N 40 119.432 119.432 118.699 0.733 25790 1808 1 5 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.123 0.014 25790 1809 1 5 . 1 1 40 40 GLN C C 40 179.522 179.522 178.618 0.904 25790 1810 1 5 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.728 0.532 25790 1811 1 5 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.730 -0.371 25790 1812 1 5 . 1 1 40 40 GLN H H 40 7.811 7.811 7.661 0.150 25790 1813 1 5 . 1 1 41 41 LEU N N 41 121.592 121.592 120.724 0.868 25790 1814 1 5 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.776 -0.089 25790 1815 1 5 . 1 1 41 41 LEU C C 41 178.974 178.974 179.255 -0.281 25790 1816 1 5 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.991 -0.028 25790 1817 1 5 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.099 -1.247 25790 1818 1 5 . 1 1 41 41 LEU H H 41 8.648 8.648 8.384 0.264 25790 1819 1 5 . 1 1 42 42 GLN N N 42 119.054 119.054 118.126 0.928 25790 1820 1 5 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.383 0.161 25790 1821 1 5 . 1 1 42 42 GLN C C 42 180.176 180.176 178.946 1.230 25790 1822 1 5 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.296 -0.062 25790 1823 1 5 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.793 -0.873 25790 1824 1 5 . 1 1 42 42 GLN H H 42 8.641 8.641 8.663 -0.022 25790 1825 1 5 . 1 1 43 43 GLU N N 43 121.517 121.517 120.207 1.310 25790 1826 1 5 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.178 0.058 25790 1827 1 5 . 1 1 43 43 GLU C C 43 179.721 179.721 178.988 0.733 25790 1828 1 5 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.384 0.283 25790 1829 1 5 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.461 -0.203 25790 1830 1 5 . 1 1 43 43 GLU H H 43 8.111 8.111 7.620 0.491 25790 1831 1 5 . 1 1 44 44 GLN N N 44 119.240 119.240 119.448 -0.208 25790 1832 1 5 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.078 0.038 25790 1833 1 5 . 1 1 44 44 GLN C C 44 179.012 179.012 178.288 0.724 25790 1834 1 5 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.883 0.266 25790 1835 1 5 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.658 0.196 25790 1836 1 5 . 1 1 44 44 GLN H H 44 8.372 8.372 8.389 -0.017 25790 1837 1 5 . 1 1 45 45 HIS N N 45 121.705 121.705 119.741 1.964 25790 1838 1 5 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.282 -0.002 25790 1839 1 5 . 1 1 45 45 HIS C C 45 176.395 176.395 177.373 -0.978 25790 1840 1 5 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.053 1.306 25790 1841 1 5 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.438 1.887 25790 1842 1 5 . 1 1 45 45 HIS H H 45 9.472 9.472 8.459 1.013 25790 1843 1 5 . 1 1 46 46 TYR N N 46 119.039 119.039 120.756 -1.717 25790 1844 1 5 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.057 -0.208 25790 1845 1 5 . 1 1 46 46 TYR C C 46 176.664 176.664 177.768 -1.104 25790 1846 1 5 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.920 0.330 25790 1847 1 5 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.361 -0.689 25790 1848 1 5 . 1 1 46 46 TYR H H 46 8.253 8.253 8.348 -0.095 25790 1849 1 5 . 1 1 47 47 GLN N N 47 116.407 116.407 117.619 -1.212 25790 1850 1 5 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.948 -0.164 25790 1851 1 5 . 1 1 47 47 GLN C C 47 179.048 179.048 178.614 0.434 25790 1852 1 5 . 1 1 47 47 GLN CA C 47 58.949 58.949 58.730 0.219 25790 1853 1 5 . 1 1 47 47 GLN CB C 47 28.181 28.181 27.860 0.321 25790 1854 1 5 . 1 1 47 47 GLN H H 47 7.814 7.814 8.417 -0.603 25790 1855 1 5 . 1 1 48 48 GLN N N 48 119.803 119.803 120.431 -0.628 25790 1856 1 5 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.125 -0.148 25790 1857 1 5 . 1 1 48 48 GLN C C 48 177.741 177.741 178.412 -0.671 25790 1858 1 5 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.653 -0.339 25790 1859 1 5 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.570 -0.242 25790 1860 1 5 . 1 1 48 48 GLN H H 48 8.645 8.645 8.216 0.429 25790 1861 1 5 . 1 1 49 49 TYR N N 49 121.342 121.342 121.732 -0.390 25790 1862 1 5 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.186 -0.546 25790 1863 1 5 . 1 1 49 49 TYR C C 49 176.021 176.021 177.744 -1.723 25790 1864 1 5 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.451 0.658 25790 1865 1 5 . 1 1 49 49 TYR CB C 49 38.907 38.907 37.953 0.954 25790 1866 1 5 . 1 1 49 49 TYR H H 49 9.105 9.105 8.551 0.554 25790 1867 1 5 . 1 1 50 50 MET N N 50 115.522 115.522 118.588 -3.066 25790 1868 1 5 . 1 1 50 50 MET HA H 50 4.040 4.040 3.744 0.296 25790 1869 1 5 . 1 1 50 50 MET C C 50 179.841 179.841 178.030 1.811 25790 1870 1 5 . 1 1 50 50 MET CA C 50 56.623 56.623 58.553 -1.930 25790 1871 1 5 . 1 1 50 50 MET CB C 50 30.099 30.099 32.206 -2.107 25790 1872 1 5 . 1 1 50 50 MET H H 50 8.060 8.060 8.198 -0.138 25790 1873 1 5 . 1 1 51 51 GLN N N 51 118.942 118.942 118.033 0.909 25790 1874 1 5 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.903 0.162 25790 1875 1 5 . 1 1 51 51 GLN C C 51 178.707 178.707 178.447 0.260 25790 1876 1 5 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.956 -0.015 25790 1877 1 5 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.491 -0.002 25790 1878 1 5 . 1 1 51 51 GLN H H 51 7.830 7.830 8.052 -0.222 25790 1879 1 5 . 1 1 52 52 GLN N N 52 119.210 119.210 120.534 -1.324 25790 1880 1 5 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.057 0.000 25790 1881 1 5 . 1 1 52 52 GLN C C 52 178.738 178.738 178.481 0.257 25790 1882 1 5 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.828 -0.079 25790 1883 1 5 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.694 -0.291 25790 1884 1 5 . 1 1 52 52 GLN H H 52 8.187 8.187 8.093 0.094 25790 1885 1 5 . 1 1 53 53 LEU N N 53 121.233 121.233 119.491 1.742 25790 1886 1 5 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.797 0.044 25790 1887 1 5 . 1 1 53 53 LEU C C 53 179.191 179.191 178.702 0.489 25790 1888 1 5 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.474 0.271 25790 1889 1 5 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.527 0.339 25790 1890 1 5 . 1 1 53 53 LEU H H 53 8.441 8.441 8.045 0.396 25790 1891 1 5 . 1 1 54 54 TYR N N 54 118.505 118.505 119.489 -0.984 25790 1892 1 5 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.957 0.361 25790 1893 1 5 . 1 1 54 54 TYR C C 54 177.535 177.535 177.082 0.453 25790 1894 1 5 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.079 -1.602 25790 1895 1 5 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.987 -0.201 25790 1896 1 5 . 1 1 54 54 TYR H H 54 7.819 7.819 7.859 -0.040 25790 1897 1 5 . 1 1 55 55 GLN N N 55 117.299 117.299 117.890 -0.591 25790 1898 1 5 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.620 0.279 25790 1899 1 5 . 1 1 55 55 GLN C C 55 179.041 179.041 178.184 0.857 25790 1900 1 5 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.614 0.095 25790 1901 1 5 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.496 -0.281 25790 1902 1 5 . 1 1 55 55 GLN H H 55 7.735 7.735 7.631 0.104 25790 1903 1 5 . 1 1 56 56 VAL N N 56 120.879 120.879 120.855 0.024 25790 1904 1 5 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.589 0.203 25790 1905 1 5 . 1 1 56 56 VAL C C 56 178.262 178.262 178.047 0.215 25790 1906 1 5 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.513 -0.571 25790 1907 1 5 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.116 0.763 25790 1908 1 5 . 1 1 56 56 VAL H H 56 8.014 8.014 7.766 0.248 25790 1909 1 5 . 1 1 57 57 GLN N N 57 120.513 120.513 119.223 1.290 25790 1910 1 5 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.014 0.046 25790 1911 1 5 . 1 1 57 57 GLN C C 57 178.772 178.772 178.803 -0.031 25790 1912 1 5 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.782 -0.166 25790 1913 1 5 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.785 -0.800 25790 1914 1 5 . 1 1 57 57 GLN H H 57 8.103 8.103 8.162 -0.059 25790 1915 1 5 . 1 1 58 58 LEU N N 58 121.244 121.244 117.181 4.063 25790 1916 1 5 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.098 -0.093 25790 1917 1 5 . 1 1 58 58 LEU C C 58 179.134 179.134 178.165 0.969 25790 1918 1 5 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.713 -0.207 25790 1919 1 5 . 1 1 58 58 LEU CB C 58 41.803 41.803 40.843 0.961 25790 1920 1 5 . 1 1 58 58 LEU H H 58 8.176 8.176 7.823 0.353 25790 1921 1 5 . 1 1 59 59 ALA N N 59 121.608 121.608 122.623 -1.015 25790 1922 1 5 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.805 0.360 25790 1923 1 5 . 1 1 59 59 ALA C C 59 180.497 180.497 179.710 0.787 25790 1924 1 5 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.178 -0.596 25790 1925 1 5 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.230 -0.177 25790 1926 1 5 . 1 1 59 59 ALA H H 59 7.833 7.833 7.938 -0.105 25790 1927 1 5 . 1 1 60 60 GLN N N 60 118.335 118.335 117.357 0.978 25790 1928 1 5 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.920 0.228 25790 1929 1 5 . 1 1 60 60 GLN C C 60 178.334 178.334 178.906 -0.572 25790 1930 1 5 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.843 -0.866 25790 1931 1 5 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.504 -0.069 25790 1932 1 5 . 1 1 60 60 GLN H H 60 8.081 8.081 7.670 0.411 25790 1933 1 5 . 1 1 61 61 GLN N N 61 120.206 120.206 118.446 1.760 25790 1934 1 5 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.001 0.161 25790 1935 1 5 . 1 1 61 61 GLN C C 61 178.002 178.002 178.497 -0.495 25790 1936 1 5 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.732 -0.827 25790 1937 1 5 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.340 0.239 25790 1938 1 5 . 1 1 61 61 GLN H H 61 8.111 8.111 7.518 0.593 25790 1939 1 5 . 1 1 62 62 GLN N N 62 118.980 118.980 118.338 0.642 25790 1940 1 5 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.074 0.055 25790 1941 1 5 . 1 1 62 62 GLN C C 62 177.624 177.624 178.222 -0.598 25790 1942 1 5 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.510 -0.873 25790 1943 1 5 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.070 0.566 25790 1944 1 5 . 1 1 62 62 GLN H H 62 8.203 8.203 8.366 -0.163 25790 1945 1 5 . 1 1 63 63 ALA N N 63 122.712 122.712 122.796 -0.084 25790 1946 1 5 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.052 0.154 25790 1947 1 5 . 1 1 63 63 ALA C C 63 178.922 178.922 178.645 0.277 25790 1948 1 5 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.563 -0.667 25790 1949 1 5 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.358 0.102 25790 1950 1 5 . 1 1 63 63 ALA H H 63 8.004 8.004 7.913 0.091 25790 1951 1 5 . 1 1 64 64 ALA N N 64 120.813 120.813 119.983 0.830 25790 1952 1 5 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.338 -0.106 25790 1953 1 5 . 1 1 64 64 ALA C C 64 178.732 178.732 178.836 -0.104 25790 1954 1 5 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.642 -0.126 25790 1955 1 5 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.254 -0.624 25790 1956 1 5 . 1 1 64 64 ALA H H 64 7.837 7.837 7.401 0.436 25790 1957 1 5 . 1 1 65 65 LEU N N 65 119.196 119.196 118.764 0.432 25790 1958 1 5 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.259 -0.002 25790 1959 1 5 . 1 1 65 65 LEU C C 65 178.038 178.038 176.836 1.202 25790 1960 1 5 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.417 0.405 25790 1961 1 5 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.814 -0.550 25790 1962 1 5 . 1 1 65 65 LEU H H 65 7.765 7.765 7.607 0.158 25790 1963 1 5 . 1 1 66 66 GLN N N 66 119.365 119.365 114.158 5.207 25790 1964 1 5 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.974 0.301 25790 1965 1 5 . 1 1 66 66 GLN C C 66 176.120 176.120 175.797 0.323 25790 1966 1 5 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.743 -0.676 25790 1967 1 5 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.799 2.333 25790 1968 1 5 . 1 1 66 66 GLN H H 66 7.967 7.967 7.980 -0.013 25790 1969 1 5 . 1 1 67 67 LYS N N 67 121.521 121.521 117.953 3.568 25790 1970 1 5 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.474 -0.165 25790 1971 1 5 . 1 1 67 67 LYS C C 67 176.437 176.437 176.707 -0.270 25790 1972 1 5 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.812 0.577 25790 1973 1 5 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.568 0.473 25790 1974 1 5 . 1 1 67 67 LYS H H 67 8.053 8.053 8.182 -0.129 25790 1975 1 5 . 1 1 68 68 GLN N N 68 121.970 121.970 118.929 3.041 25790 1976 1 5 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.252 0.087 25790 1977 1 5 . 1 1 68 68 GLN C C 68 175.120 175.120 176.104 -0.984 25790 1978 1 5 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.424 0.576 25790 1979 1 5 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.332 3.166 25790 1980 1 5 . 1 1 68 68 GLN H H 68 8.314 8.314 8.229 0.085 25790 1981 1 6 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.553 -0.106 25790 1982 1 6 . 1 1 2 2 GLN C C 2 176.144 176.144 175.145 0.999 25790 1983 1 6 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.630 0.579 25790 1984 1 6 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.613 -0.154 25790 1985 1 6 . 1 1 3 3 GLN N N 3 122.052 122.052 125.671 -3.619 25790 1986 1 6 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.569 -0.246 25790 1987 1 6 . 1 1 3 3 GLN C C 3 176.988 176.988 176.297 0.691 25790 1988 1 6 . 1 1 3 3 GLN CA C 3 57.403 57.403 55.270 2.133 25790 1989 1 6 . 1 1 3 3 GLN CB C 3 29.239 29.239 29.228 0.011 25790 1990 1 6 . 1 1 3 3 GLN H H 3 8.780 8.780 8.843 -0.063 25790 1991 1 6 . 1 1 4 4 LYS N N 4 121.855 121.855 124.435 -2.580 25790 1992 1 6 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.947 0.057 25790 1993 1 6 . 1 1 4 4 LYS C C 4 177.638 177.638 178.178 -0.540 25790 1994 1 6 . 1 1 4 4 LYS CA C 4 60.239 60.239 60.139 0.100 25790 1995 1 6 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.594 0.105 25790 1996 1 6 . 1 1 4 4 LYS H H 4 8.528 8.528 8.605 -0.077 25790 1997 1 6 . 1 1 5 5 GLN N N 5 116.397 116.397 117.864 -1.467 25790 1998 1 6 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.015 -0.074 25790 1999 1 6 . 1 1 5 5 GLN C C 5 178.761 178.761 178.206 0.555 25790 2000 1 6 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.269 1.080 25790 2001 1 6 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.391 0.559 25790 2002 1 6 . 1 1 5 5 GLN H H 5 8.223 8.223 8.433 -0.210 25790 2003 1 6 . 1 1 6 6 GLN N N 6 119.262 119.262 119.582 -0.320 25790 2004 1 6 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.082 0.046 25790 2005 1 6 . 1 1 6 6 GLN C C 6 179.018 179.018 178.636 0.382 25790 2006 1 6 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.724 0.365 25790 2007 1 6 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.532 0.177 25790 2008 1 6 . 1 1 6 6 GLN H H 6 7.848 7.848 7.893 -0.045 25790 2009 1 6 . 1 1 7 7 ILE N N 7 121.296 121.296 120.553 0.743 25790 2010 1 6 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.746 -0.163 25790 2011 1 6 . 1 1 7 7 ILE C C 7 177.833 177.833 177.999 -0.166 25790 2012 1 6 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.792 0.337 25790 2013 1 6 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.874 0.332 25790 2014 1 6 . 1 1 7 7 ILE H H 7 8.095 8.095 7.467 0.628 25790 2015 1 6 . 1 1 8 8 MET N N 8 117.603 117.603 118.660 -1.057 25790 2016 1 6 . 1 1 8 8 MET HA H 8 3.985 3.985 4.105 -0.120 25790 2017 1 6 . 1 1 8 8 MET C C 8 177.355 177.355 178.340 -0.985 25790 2018 1 6 . 1 1 8 8 MET CA C 8 59.932 59.932 59.298 0.634 25790 2019 1 6 . 1 1 8 8 MET CB C 8 32.721 32.721 32.176 0.545 25790 2020 1 6 . 1 1 8 8 MET H H 8 8.672 8.672 7.755 0.917 25790 2021 1 6 . 1 1 9 9 ALA N N 9 118.774 118.774 121.679 -2.905 25790 2022 1 6 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.989 0.057 25790 2023 1 6 . 1 1 9 9 ALA C C 9 180.546 180.546 179.298 1.248 25790 2024 1 6 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.106 0.279 25790 2025 1 6 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.915 -0.017 25790 2026 1 6 . 1 1 9 9 ALA H H 9 7.795 7.795 8.068 -0.273 25790 2027 1 6 . 1 1 10 10 ALA N N 10 120.854 120.854 121.630 -0.776 25790 2028 1 6 . 1 1 10 10 ALA HA H 10 4.205 4.205 3.986 0.219 25790 2029 1 6 . 1 1 10 10 ALA C C 10 181.200 181.200 179.572 1.628 25790 2030 1 6 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.818 0.194 25790 2031 1 6 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.487 0.774 25790 2032 1 6 . 1 1 10 10 ALA H H 10 7.438 7.438 7.701 -0.263 25790 2033 1 6 . 1 1 11 11 LEU N N 11 120.775 120.775 118.669 2.106 25790 2034 1 6 . 1 1 11 11 LEU HA H 11 3.748 3.748 4.126 -0.378 25790 2035 1 6 . 1 1 11 11 LEU C C 11 179.041 179.041 179.539 -0.498 25790 2036 1 6 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.270 1.075 25790 2037 1 6 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.484 -1.508 25790 2038 1 6 . 1 1 11 11 LEU H H 11 8.757 8.757 8.118 0.639 25790 2039 1 6 . 1 1 12 12 ASN N N 12 116.313 116.313 118.333 -2.020 25790 2040 1 6 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.534 0.030 25790 2041 1 6 . 1 1 12 12 ASN C C 12 178.900 178.900 177.754 1.146 25790 2042 1 6 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.644 -1.579 25790 2043 1 6 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.872 -0.879 25790 2044 1 6 . 1 1 12 12 ASN H H 12 8.850 8.850 8.466 0.384 25790 2045 1 6 . 1 1 13 13 SER N N 13 114.747 114.747 115.762 -1.015 25790 2046 1 6 . 1 1 13 13 SER HA H 13 4.370 4.370 4.152 0.218 25790 2047 1 6 . 1 1 13 13 SER C C 13 176.515 176.515 176.062 0.453 25790 2048 1 6 . 1 1 13 13 SER CA C 13 61.141 61.141 61.645 -0.504 25790 2049 1 6 . 1 1 13 13 SER CB C 13 63.044 63.044 62.891 0.153 25790 2050 1 6 . 1 1 13 13 SER H H 13 7.672 7.672 7.734 -0.062 25790 2051 1 6 . 1 1 14 14 GLN N N 14 119.954 119.954 116.853 3.101 25790 2052 1 6 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.120 0.098 25790 2053 1 6 . 1 1 14 14 GLN C C 14 178.208 178.208 176.895 1.313 25790 2054 1 6 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.709 0.040 25790 2055 1 6 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.202 -0.502 25790 2056 1 6 . 1 1 14 14 GLN H H 14 7.573 7.573 7.359 0.214 25790 2057 1 6 . 1 1 15 15 THR N N 15 107.493 107.493 106.989 0.504 25790 2058 1 6 . 1 1 15 15 THR HA H 15 3.899 3.899 4.210 -0.311 25790 2059 1 6 . 1 1 15 15 THR C C 15 174.683 174.683 175.054 -0.371 25790 2060 1 6 . 1 1 15 15 THR CA C 15 61.551 61.551 60.696 0.855 25790 2061 1 6 . 1 1 15 15 THR CB C 15 69.226 69.226 69.568 -0.342 25790 2062 1 6 . 1 1 15 15 THR H H 15 7.741 7.741 7.108 0.633 25790 2063 1 6 . 1 1 16 16 ALA N N 16 124.034 124.034 126.165 -2.131 25790 2064 1 6 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.006 0.129 25790 2065 1 6 . 1 1 16 16 ALA C C 16 179.899 179.899 178.949 0.950 25790 2066 1 6 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.427 0.780 25790 2067 1 6 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.893 0.831 25790 2068 1 6 . 1 1 16 16 ALA H H 16 6.873 6.873 7.668 -0.795 25790 2069 1 6 . 1 1 17 17 VAL N N 17 117.150 117.150 117.714 -0.564 25790 2070 1 6 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.862 -0.148 25790 2071 1 6 . 1 1 17 17 VAL C C 17 178.537 178.537 177.568 0.969 25790 2072 1 6 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.564 1.944 25790 2073 1 6 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.940 -0.247 25790 2074 1 6 . 1 1 17 17 VAL H H 17 8.162 8.162 8.449 -0.287 25790 2075 1 6 . 1 1 18 18 GLN N N 18 119.489 119.489 119.829 -0.340 25790 2076 1 6 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.049 0.008 25790 2077 1 6 . 1 1 18 18 GLN C C 18 180.429 180.429 178.477 1.952 25790 2078 1 6 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.425 0.274 25790 2079 1 6 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.057 1.129 25790 2080 1 6 . 1 1 18 18 GLN H H 18 8.451 8.451 8.264 0.187 25790 2081 1 6 . 1 1 19 19 PHE N N 19 117.940 117.940 117.596 0.344 25790 2082 1 6 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.621 0.209 25790 2083 1 6 . 1 1 19 19 PHE C C 19 177.858 177.858 177.919 -0.061 25790 2084 1 6 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.395 -0.366 25790 2085 1 6 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.514 -2.609 25790 2086 1 6 . 1 1 19 19 PHE H H 19 8.924 8.924 8.542 0.382 25790 2087 1 6 . 1 1 20 20 GLN N N 20 120.297 120.297 121.551 -1.254 25790 2088 1 6 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.982 0.124 25790 2089 1 6 . 1 1 20 20 GLN C C 20 178.986 178.986 178.090 0.896 25790 2090 1 6 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.900 -0.337 25790 2091 1 6 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.467 -0.572 25790 2092 1 6 . 1 1 20 20 GLN H H 20 8.264 8.264 7.847 0.417 25790 2093 1 6 . 1 1 21 21 GLN N N 21 118.595 118.595 118.136 0.459 25790 2094 1 6 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.016 0.066 25790 2095 1 6 . 1 1 21 21 GLN C C 21 178.806 178.806 178.655 0.151 25790 2096 1 6 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.788 0.382 25790 2097 1 6 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.732 -0.536 25790 2098 1 6 . 1 1 21 21 GLN H H 21 8.527 8.527 7.872 0.655 25790 2099 1 6 . 1 1 22 22 TYR N N 22 119.594 119.594 120.614 -1.020 25790 2100 1 6 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.092 0.155 25790 2101 1 6 . 1 1 22 22 TYR C C 22 177.789 177.789 176.825 0.964 25790 2102 1 6 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.828 0.885 25790 2103 1 6 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.494 0.230 25790 2104 1 6 . 1 1 22 22 TYR H H 22 7.843 7.843 7.603 0.240 25790 2105 1 6 . 1 1 23 23 ALA N N 23 120.663 120.663 121.446 -0.783 25790 2106 1 6 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.751 0.106 25790 2107 1 6 . 1 1 23 23 ALA C C 23 179.319 179.319 178.663 0.656 25790 2108 1 6 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.902 0.687 25790 2109 1 6 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.240 0.242 25790 2110 1 6 . 1 1 23 23 ALA H H 23 8.612 8.612 8.588 0.024 25790 2111 1 6 . 1 1 24 24 ALA N N 24 119.002 119.002 119.047 -0.045 25790 2112 1 6 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.104 -0.166 25790 2113 1 6 . 1 1 24 24 ALA C C 24 178.987 178.987 178.916 0.071 25790 2114 1 6 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.285 0.032 25790 2115 1 6 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.485 -0.595 25790 2116 1 6 . 1 1 24 24 ALA H H 24 8.168 8.168 8.175 -0.007 25790 2117 1 6 . 1 1 25 25 GLN N N 25 115.599 115.599 116.249 -0.650 25790 2118 1 6 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.101 -0.097 25790 2119 1 6 . 1 1 25 25 GLN C C 25 177.818 177.818 177.482 0.336 25790 2120 1 6 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.886 -0.432 25790 2121 1 6 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.592 -0.137 25790 2122 1 6 . 1 1 25 25 GLN H H 25 7.300 7.300 7.474 -0.174 25790 2123 1 6 . 1 1 26 26 GLN N N 26 116.989 116.989 116.822 0.167 25790 2124 1 6 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.932 -0.228 25790 2125 1 6 . 1 1 26 26 GLN C C 26 175.979 175.979 175.995 -0.016 25790 2126 1 6 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.891 -0.103 25790 2127 1 6 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.049 -0.969 25790 2128 1 6 . 1 1 26 26 GLN H H 26 7.401 7.401 7.191 0.210 25790 2129 1 6 . 1 1 27 27 TYR N N 27 114.712 114.712 117.739 -3.027 25790 2130 1 6 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.982 0.096 25790 2131 1 6 . 1 1 27 27 TYR C C 27 172.931 172.931 173.713 -0.782 25790 2132 1 6 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.189 0.978 25790 2133 1 6 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.103 1.557 25790 2134 1 6 . 1 1 27 27 TYR H H 27 7.675 7.675 8.190 -0.515 25790 2135 1 6 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.578 -0.216 25790 2136 1 6 . 1 1 28 28 PRO C C 28 179.333 179.333 178.022 1.311 25790 2137 1 6 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.944 0.450 25790 2138 1 6 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.190 -0.936 25790 2139 1 6 . 1 1 29 29 GLY N N 29 110.091 110.091 112.423 -2.332 25790 2140 1 6 . 1 1 29 29 GLY C C 29 173.218 173.218 174.413 -1.195 25790 2141 1 6 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.317 0.595 25790 2142 1 6 . 1 1 29 29 GLY H H 29 8.826 8.826 8.886 -0.060 25790 2143 1 6 . 1 1 30 30 ASN N N 30 118.603 118.603 121.137 -2.534 25790 2144 1 6 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.067 -0.068 25790 2145 1 6 . 1 1 30 30 ASN C C 30 173.977 173.977 174.413 -0.436 25790 2146 1 6 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.748 -0.563 25790 2147 1 6 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.152 0.274 25790 2148 1 6 . 1 1 30 30 ASN H H 30 7.293 7.293 7.784 -0.491 25790 2149 1 6 . 1 1 31 31 TYR N N 31 125.240 125.240 126.263 -1.023 25790 2150 1 6 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.022 -0.124 25790 2151 1 6 . 1 1 31 31 TYR C C 31 177.343 177.343 176.685 0.658 25790 2152 1 6 . 1 1 31 31 TYR CA C 31 61.811 61.811 63.053 -1.242 25790 2153 1 6 . 1 1 31 31 TYR CB C 31 38.357 38.357 39.046 -0.689 25790 2154 1 6 . 1 1 31 31 TYR H H 31 8.509 8.509 8.083 0.426 25790 2155 1 6 . 1 1 32 32 GLU N N 32 118.993 118.993 117.164 1.829 25790 2156 1 6 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.644 0.256 25790 2157 1 6 . 1 1 32 32 GLU C C 32 179.549 179.549 178.549 1.000 25790 2158 1 6 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.304 0.808 25790 2159 1 6 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.055 1.113 25790 2160 1 6 . 1 1 32 32 GLU H H 32 8.714 8.714 8.831 -0.117 25790 2161 1 6 . 1 1 33 33 GLN N N 33 117.037 117.037 118.754 -1.717 25790 2162 1 6 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.968 -0.235 25790 2163 1 6 . 1 1 33 33 GLN C C 33 179.119 179.119 178.740 0.379 25790 2164 1 6 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.619 -0.917 25790 2165 1 6 . 1 1 33 33 GLN CB C 33 27.626 27.626 28.080 -0.454 25790 2166 1 6 . 1 1 33 33 GLN H H 33 7.536 7.536 8.220 -0.684 25790 2167 1 6 . 1 1 34 34 GLN N N 34 117.723 117.723 119.420 -1.697 25790 2168 1 6 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.107 -0.296 25790 2169 1 6 . 1 1 34 34 GLN C C 34 177.634 177.634 178.624 -0.990 25790 2170 1 6 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.606 0.559 25790 2171 1 6 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.545 -1.044 25790 2172 1 6 . 1 1 34 34 GLN H H 34 7.968 7.968 8.458 -0.490 25790 2173 1 6 . 1 1 35 35 GLN N N 35 115.293 115.293 118.375 -3.082 25790 2174 1 6 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.031 -0.240 25790 2175 1 6 . 1 1 35 35 GLN C C 35 178.757 178.757 178.452 0.305 25790 2176 1 6 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.237 0.373 25790 2177 1 6 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.392 -0.187 25790 2178 1 6 . 1 1 35 35 GLN H H 35 7.870 7.870 7.539 0.331 25790 2179 1 6 . 1 1 36 36 ILE N N 36 120.769 120.769 120.907 -0.138 25790 2180 1 6 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.681 -0.117 25790 2181 1 6 . 1 1 36 36 ILE C C 36 178.273 178.273 178.206 0.067 25790 2182 1 6 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.165 0.071 25790 2183 1 6 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.753 0.620 25790 2184 1 6 . 1 1 36 36 ILE H H 36 7.503 7.503 7.713 -0.209 25790 2185 1 6 . 1 1 37 37 LEU N N 37 121.056 121.056 122.162 -1.106 25790 2186 1 6 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.225 0.084 25790 2187 1 6 . 1 1 37 37 LEU C C 37 178.348 178.348 178.665 -0.317 25790 2188 1 6 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.876 -0.142 25790 2189 1 6 . 1 1 37 37 LEU CB C 37 41.516 41.516 42.022 -0.506 25790 2190 1 6 . 1 1 37 37 LEU H H 37 7.678 7.678 8.310 -0.632 25790 2191 1 6 . 1 1 38 38 ILE N N 38 119.334 119.334 119.355 -0.021 25790 2192 1 6 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.609 -0.268 25790 2193 1 6 . 1 1 38 38 ILE C C 38 177.371 177.371 177.948 -0.577 25790 2194 1 6 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.880 1.205 25790 2195 1 6 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.592 0.757 25790 2196 1 6 . 1 1 38 38 ILE H H 38 8.702 8.702 7.977 0.725 25790 2197 1 6 . 1 1 39 39 ARG N N 39 117.798 117.798 120.375 -2.577 25790 2198 1 6 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.184 0.031 25790 2199 1 6 . 1 1 39 39 ARG C C 39 179.555 179.555 178.637 0.918 25790 2200 1 6 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.302 0.157 25790 2201 1 6 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.725 0.027 25790 2202 1 6 . 1 1 39 39 ARG H H 39 7.739 7.739 7.909 -0.170 25790 2203 1 6 . 1 1 40 40 GLN N N 40 119.432 119.432 119.322 0.110 25790 2204 1 6 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.107 0.030 25790 2205 1 6 . 1 1 40 40 GLN C C 40 179.522 179.522 178.593 0.929 25790 2206 1 6 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.136 0.124 25790 2207 1 6 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.609 -0.251 25790 2208 1 6 . 1 1 40 40 GLN H H 40 7.811 7.811 7.801 0.010 25790 2209 1 6 . 1 1 41 41 LEU N N 41 121.592 121.592 119.732 1.860 25790 2210 1 6 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.832 -0.145 25790 2211 1 6 . 1 1 41 41 LEU C C 41 178.974 178.974 179.265 -0.291 25790 2212 1 6 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.655 0.308 25790 2213 1 6 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.274 -1.422 25790 2214 1 6 . 1 1 41 41 LEU H H 41 8.648 8.648 8.453 0.195 25790 2215 1 6 . 1 1 42 42 GLN N N 42 119.054 119.054 118.711 0.343 25790 2216 1 6 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.301 0.243 25790 2217 1 6 . 1 1 42 42 GLN C C 42 180.176 180.176 178.729 1.447 25790 2218 1 6 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.472 -0.238 25790 2219 1 6 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.793 -0.873 25790 2220 1 6 . 1 1 42 42 GLN H H 42 8.641 8.641 8.717 -0.076 25790 2221 1 6 . 1 1 43 43 GLU N N 43 121.517 121.517 120.696 0.821 25790 2222 1 6 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.031 0.205 25790 2223 1 6 . 1 1 43 43 GLU C C 43 179.721 179.721 178.771 0.950 25790 2224 1 6 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.642 0.025 25790 2225 1 6 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.514 -0.256 25790 2226 1 6 . 1 1 43 43 GLU H H 43 8.111 8.111 8.235 -0.124 25790 2227 1 6 . 1 1 44 44 GLN N N 44 119.240 119.240 118.678 0.562 25790 2228 1 6 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.098 0.018 25790 2229 1 6 . 1 1 44 44 GLN C C 44 179.012 179.012 178.213 0.799 25790 2230 1 6 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.443 0.706 25790 2231 1 6 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.478 0.376 25790 2232 1 6 . 1 1 44 44 GLN H H 44 8.372 8.372 7.970 0.402 25790 2233 1 6 . 1 1 45 45 HIS N N 45 121.705 121.705 120.070 1.635 25790 2234 1 6 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.348 -0.068 25790 2235 1 6 . 1 1 45 45 HIS C C 45 176.395 176.395 177.270 -0.875 25790 2236 1 6 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.641 0.718 25790 2237 1 6 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.463 1.862 25790 2238 1 6 . 1 1 45 45 HIS H H 45 9.472 9.472 8.505 0.967 25790 2239 1 6 . 1 1 46 46 TYR N N 46 119.039 119.039 120.722 -1.683 25790 2240 1 6 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.096 -0.247 25790 2241 1 6 . 1 1 46 46 TYR C C 46 176.664 176.664 177.967 -1.303 25790 2242 1 6 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.124 0.127 25790 2243 1 6 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.348 -0.676 25790 2244 1 6 . 1 1 46 46 TYR H H 46 8.253 8.253 8.519 -0.266 25790 2245 1 6 . 1 1 47 47 GLN N N 47 116.407 116.407 117.922 -1.515 25790 2246 1 6 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.838 -0.054 25790 2247 1 6 . 1 1 47 47 GLN C C 47 179.048 179.048 178.123 0.925 25790 2248 1 6 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.192 -0.243 25790 2249 1 6 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.409 -0.228 25790 2250 1 6 . 1 1 47 47 GLN H H 47 7.814 7.814 7.843 -0.029 25790 2251 1 6 . 1 1 48 48 GLN N N 48 119.803 119.803 120.116 -0.313 25790 2252 1 6 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.967 0.010 25790 2253 1 6 . 1 1 48 48 GLN C C 48 177.741 177.741 178.195 -0.454 25790 2254 1 6 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.993 -0.679 25790 2255 1 6 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.702 -0.374 25790 2256 1 6 . 1 1 48 48 GLN H H 48 8.645 8.645 7.683 0.962 25790 2257 1 6 . 1 1 49 49 TYR N N 49 121.342 121.342 120.570 0.772 25790 2258 1 6 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.017 -0.377 25790 2259 1 6 . 1 1 49 49 TYR C C 49 176.021 176.021 177.322 -1.301 25790 2260 1 6 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.593 0.516 25790 2261 1 6 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.203 0.704 25790 2262 1 6 . 1 1 49 49 TYR H H 49 9.105 9.105 8.414 0.691 25790 2263 1 6 . 1 1 50 50 MET N N 50 115.522 115.522 118.704 -3.182 25790 2264 1 6 . 1 1 50 50 MET HA H 50 4.040 4.040 3.747 0.293 25790 2265 1 6 . 1 1 50 50 MET C C 50 179.841 179.841 177.814 2.027 25790 2266 1 6 . 1 1 50 50 MET CA C 50 56.623 56.623 58.799 -2.176 25790 2267 1 6 . 1 1 50 50 MET CB C 50 30.099 30.099 32.261 -2.163 25790 2268 1 6 . 1 1 50 50 MET H H 50 8.060 8.060 8.172 -0.112 25790 2269 1 6 . 1 1 51 51 GLN N N 51 118.942 118.942 118.789 0.153 25790 2270 1 6 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.894 0.171 25790 2271 1 6 . 1 1 51 51 GLN C C 51 178.707 178.707 178.249 0.458 25790 2272 1 6 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.269 -0.328 25790 2273 1 6 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.645 -0.156 25790 2274 1 6 . 1 1 51 51 GLN H H 51 7.830 7.830 7.997 -0.167 25790 2275 1 6 . 1 1 52 52 GLN N N 52 119.210 119.210 119.888 -0.678 25790 2276 1 6 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.057 0.000 25790 2277 1 6 . 1 1 52 52 GLN C C 52 178.738 178.738 178.527 0.211 25790 2278 1 6 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.333 0.416 25790 2279 1 6 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.307 0.096 25790 2280 1 6 . 1 1 52 52 GLN H H 52 8.187 8.187 8.132 0.055 25790 2281 1 6 . 1 1 53 53 LEU N N 53 121.233 121.233 119.847 1.386 25790 2282 1 6 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.786 0.055 25790 2283 1 6 . 1 1 53 53 LEU C C 53 179.191 179.191 178.686 0.505 25790 2284 1 6 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.643 0.102 25790 2285 1 6 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.476 0.390 25790 2286 1 6 . 1 1 53 53 LEU H H 53 8.441 8.441 8.040 0.401 25790 2287 1 6 . 1 1 54 54 TYR N N 54 118.505 118.505 119.811 -1.306 25790 2288 1 6 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.971 0.347 25790 2289 1 6 . 1 1 54 54 TYR C C 54 177.535 177.535 177.404 0.131 25790 2290 1 6 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.599 -1.122 25790 2291 1 6 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.036 -0.251 25790 2292 1 6 . 1 1 54 54 TYR H H 54 7.819 7.819 7.899 -0.080 25790 2293 1 6 . 1 1 55 55 GLN N N 55 117.299 117.299 118.417 -1.118 25790 2294 1 6 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.589 0.310 25790 2295 1 6 . 1 1 55 55 GLN C C 55 179.041 179.041 178.394 0.647 25790 2296 1 6 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.652 0.057 25790 2297 1 6 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.682 -0.467 25790 2298 1 6 . 1 1 55 55 GLN H H 55 7.735 7.735 7.671 0.064 25790 2299 1 6 . 1 1 56 56 VAL N N 56 120.879 120.879 120.862 0.017 25790 2300 1 6 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.633 0.159 25790 2301 1 6 . 1 1 56 56 VAL C C 56 178.262 178.262 178.090 0.172 25790 2302 1 6 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.237 -0.295 25790 2303 1 6 . 1 1 56 56 VAL CB C 56 31.879 31.879 30.846 1.033 25790 2304 1 6 . 1 1 56 56 VAL H H 56 8.014 8.014 8.130 -0.116 25790 2305 1 6 . 1 1 57 57 GLN N N 57 120.513 120.513 119.465 1.048 25790 2306 1 6 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.022 0.038 25790 2307 1 6 . 1 1 57 57 GLN C C 57 178.772 178.772 179.077 -0.305 25790 2308 1 6 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.944 -0.328 25790 2309 1 6 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.445 -0.460 25790 2310 1 6 . 1 1 57 57 GLN H H 57 8.103 8.103 8.082 0.021 25790 2311 1 6 . 1 1 58 58 LEU N N 58 121.244 121.244 119.587 1.657 25790 2312 1 6 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.859 0.146 25790 2313 1 6 . 1 1 58 58 LEU C C 58 179.134 179.134 178.554 0.580 25790 2314 1 6 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.440 0.066 25790 2315 1 6 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.264 0.539 25790 2316 1 6 . 1 1 58 58 LEU H H 58 8.176 8.176 7.928 0.248 25790 2317 1 6 . 1 1 59 59 ALA N N 59 121.608 121.608 121.689 -0.081 25790 2318 1 6 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.829 0.336 25790 2319 1 6 . 1 1 59 59 ALA C C 59 180.497 180.497 179.896 0.601 25790 2320 1 6 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.212 -0.630 25790 2321 1 6 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.955 0.098 25790 2322 1 6 . 1 1 59 59 ALA H H 59 7.833 7.833 8.059 -0.226 25790 2323 1 6 . 1 1 60 60 GLN N N 60 118.335 118.335 117.554 0.781 25790 2324 1 6 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.920 0.229 25790 2325 1 6 . 1 1 60 60 GLN C C 60 178.334 178.334 178.881 -0.547 25790 2326 1 6 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.912 -0.935 25790 2327 1 6 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.619 -0.184 25790 2328 1 6 . 1 1 60 60 GLN H H 60 8.081 8.081 8.046 0.035 25790 2329 1 6 . 1 1 61 61 GLN N N 61 120.206 120.206 118.992 1.214 25790 2330 1 6 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.972 0.190 25790 2331 1 6 . 1 1 61 61 GLN C C 61 178.002 178.002 178.437 -0.435 25790 2332 1 6 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.293 -1.388 25790 2333 1 6 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.629 -0.050 25790 2334 1 6 . 1 1 61 61 GLN H H 61 8.111 8.111 8.164 -0.053 25790 2335 1 6 . 1 1 62 62 GLN N N 62 118.980 118.980 118.269 0.711 25790 2336 1 6 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.099 0.030 25790 2337 1 6 . 1 1 62 62 GLN C C 62 177.624 177.624 178.233 -0.609 25790 2338 1 6 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.468 -0.832 25790 2339 1 6 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.101 0.535 25790 2340 1 6 . 1 1 62 62 GLN H H 62 8.203 8.203 8.496 -0.293 25790 2341 1 6 . 1 1 63 63 ALA N N 63 122.712 122.712 122.810 -0.098 25790 2342 1 6 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.133 0.073 25790 2343 1 6 . 1 1 63 63 ALA C C 63 178.922 178.922 178.925 -0.003 25790 2344 1 6 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.243 -0.347 25790 2345 1 6 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.109 0.350 25790 2346 1 6 . 1 1 63 63 ALA H H 63 8.004 8.004 7.852 0.152 25790 2347 1 6 . 1 1 64 64 ALA N N 64 120.813 120.813 121.259 -0.446 25790 2348 1 6 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.089 0.143 25790 2349 1 6 . 1 1 64 64 ALA C C 64 178.732 178.732 179.122 -0.390 25790 2350 1 6 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.163 -0.646 25790 2351 1 6 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.086 -0.456 25790 2352 1 6 . 1 1 64 64 ALA H H 64 7.837 7.837 7.724 0.113 25790 2353 1 6 . 1 1 65 65 LEU N N 65 119.196 119.196 119.329 -0.133 25790 2354 1 6 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.092 0.165 25790 2355 1 6 . 1 1 65 65 LEU C C 65 178.038 178.038 177.916 0.122 25790 2356 1 6 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.293 -0.471 25790 2357 1 6 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.418 -0.154 25790 2358 1 6 . 1 1 65 65 LEU H H 65 7.765 7.765 8.042 -0.277 25790 2359 1 6 . 1 1 66 66 GLN N N 66 119.365 119.365 114.703 4.662 25790 2360 1 6 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.945 0.330 25790 2361 1 6 . 1 1 66 66 GLN C C 66 176.120 176.120 175.626 0.494 25790 2362 1 6 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.026 -0.959 25790 2363 1 6 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.181 2.951 25790 2364 1 6 . 1 1 66 66 GLN H H 66 7.967 7.967 8.048 -0.081 25790 2365 1 6 . 1 1 67 67 LYS N N 67 121.521 121.521 119.016 2.505 25790 2366 1 6 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.386 -0.077 25790 2367 1 6 . 1 1 67 67 LYS C C 67 176.437 176.437 175.596 0.841 25790 2368 1 6 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.457 0.932 25790 2369 1 6 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.658 0.383 25790 2370 1 6 . 1 1 67 67 LYS H H 67 8.053 8.053 8.129 -0.076 25790 2371 1 6 . 1 1 68 68 GLN N N 68 121.970 121.970 117.110 4.860 25790 2372 1 6 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.918 0.421 25790 2373 1 6 . 1 1 68 68 GLN C C 68 175.120 175.120 174.918 0.202 25790 2374 1 6 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.436 -0.436 25790 2375 1 6 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.386 3.112 25790 2376 1 6 . 1 1 68 68 GLN H H 68 8.314 8.314 8.449 -0.135 25790 2377 1 7 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.562 -0.115 25790 2378 1 7 . 1 1 2 2 GLN C C 2 176.144 176.144 174.517 1.627 25790 2379 1 7 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.260 0.949 25790 2380 1 7 . 1 1 2 2 GLN CB C 2 29.459 29.459 30.211 -0.752 25790 2381 1 7 . 1 1 3 3 GLN N N 3 122.052 122.052 117.870 4.182 25790 2382 1 7 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.092 0.231 25790 2383 1 7 . 1 1 3 3 GLN C C 3 176.988 176.988 176.376 0.612 25790 2384 1 7 . 1 1 3 3 GLN CA C 3 57.403 57.403 56.352 1.051 25790 2385 1 7 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.540 1.699 25790 2386 1 7 . 1 1 3 3 GLN H H 3 8.780 8.780 8.670 0.110 25790 2387 1 7 . 1 1 4 4 LYS N N 4 121.855 121.855 116.711 5.144 25790 2388 1 7 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.069 -0.065 25790 2389 1 7 . 1 1 4 4 LYS C C 4 177.638 177.638 178.385 -0.747 25790 2390 1 7 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.188 1.051 25790 2391 1 7 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.366 0.333 25790 2392 1 7 . 1 1 4 4 LYS H H 4 8.528 8.528 8.200 0.328 25790 2393 1 7 . 1 1 5 5 GLN N N 5 116.397 116.397 117.898 -1.501 25790 2394 1 7 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.087 -0.146 25790 2395 1 7 . 1 1 5 5 GLN C C 5 178.761 178.761 178.195 0.566 25790 2396 1 7 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.537 0.812 25790 2397 1 7 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.520 0.430 25790 2398 1 7 . 1 1 5 5 GLN H H 5 8.223 8.223 8.388 -0.165 25790 2399 1 7 . 1 1 6 6 GLN N N 6 119.262 119.262 118.076 1.186 25790 2400 1 7 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.100 0.028 25790 2401 1 7 . 1 1 6 6 GLN C C 6 179.018 179.018 178.423 0.595 25790 2402 1 7 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.783 0.306 25790 2403 1 7 . 1 1 6 6 GLN CB C 6 28.710 28.710 27.743 0.967 25790 2404 1 7 . 1 1 6 6 GLN H H 6 7.848 7.848 7.797 0.051 25790 2405 1 7 . 1 1 7 7 ILE N N 7 121.296 121.296 120.113 1.183 25790 2406 1 7 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.845 -0.262 25790 2407 1 7 . 1 1 7 7 ILE C C 7 177.833 177.833 177.927 -0.094 25790 2408 1 7 . 1 1 7 7 ILE CA C 7 65.129 65.129 65.144 -0.015 25790 2409 1 7 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.745 0.461 25790 2410 1 7 . 1 1 7 7 ILE H H 7 8.095 8.095 7.914 0.181 25790 2411 1 7 . 1 1 8 8 MET N N 8 117.603 117.603 118.932 -1.329 25790 2412 1 7 . 1 1 8 8 MET HA H 8 3.985 3.985 4.158 -0.173 25790 2413 1 7 . 1 1 8 8 MET C C 8 177.355 177.355 178.763 -1.408 25790 2414 1 7 . 1 1 8 8 MET CA C 8 59.932 59.932 57.087 2.845 25790 2415 1 7 . 1 1 8 8 MET CB C 8 32.721 32.721 31.085 1.636 25790 2416 1 7 . 1 1 8 8 MET H H 8 8.672 8.672 7.946 0.726 25790 2417 1 7 . 1 1 9 9 ALA N N 9 118.774 118.774 121.536 -2.762 25790 2418 1 7 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.061 -0.015 25790 2419 1 7 . 1 1 9 9 ALA C C 9 180.546 180.546 179.302 1.244 25790 2420 1 7 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.036 0.349 25790 2421 1 7 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.066 -0.168 25790 2422 1 7 . 1 1 9 9 ALA H H 9 7.795 7.795 8.317 -0.522 25790 2423 1 7 . 1 1 10 10 ALA N N 10 120.854 120.854 121.795 -0.941 25790 2424 1 7 . 1 1 10 10 ALA HA H 10 4.205 4.205 3.997 0.208 25790 2425 1 7 . 1 1 10 10 ALA C C 10 181.200 181.200 179.524 1.676 25790 2426 1 7 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.735 0.277 25790 2427 1 7 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.528 0.733 25790 2428 1 7 . 1 1 10 10 ALA H H 10 7.438 7.438 7.687 -0.249 25790 2429 1 7 . 1 1 11 11 LEU N N 11 120.775 120.775 117.834 2.941 25790 2430 1 7 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.725 0.023 25790 2431 1 7 . 1 1 11 11 LEU C C 11 179.041 179.041 179.087 -0.046 25790 2432 1 7 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.638 0.708 25790 2433 1 7 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.196 -1.218 25790 2434 1 7 . 1 1 11 11 LEU H H 11 8.757 8.757 8.531 0.226 25790 2435 1 7 . 1 1 12 12 ASN N N 12 116.313 116.313 118.422 -2.109 25790 2436 1 7 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.396 0.168 25790 2437 1 7 . 1 1 12 12 ASN C C 12 178.900 178.900 177.558 1.342 25790 2438 1 7 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.548 -2.483 25790 2439 1 7 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.470 -1.477 25790 2440 1 7 . 1 1 12 12 ASN H H 12 8.850 8.850 7.968 0.882 25790 2441 1 7 . 1 1 13 13 SER N N 13 114.747 114.747 115.079 -0.332 25790 2442 1 7 . 1 1 13 13 SER HA H 13 4.370 4.370 4.192 0.178 25790 2443 1 7 . 1 1 13 13 SER C C 13 176.515 176.515 176.087 0.428 25790 2444 1 7 . 1 1 13 13 SER CA C 13 61.141 61.141 61.515 -0.374 25790 2445 1 7 . 1 1 13 13 SER CB C 13 63.044 63.044 62.829 0.215 25790 2446 1 7 . 1 1 13 13 SER H H 13 7.672 7.672 7.585 0.087 25790 2447 1 7 . 1 1 14 14 GLN N N 14 119.954 119.954 117.810 2.144 25790 2448 1 7 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.187 0.031 25790 2449 1 7 . 1 1 14 14 GLN C C 14 178.208 178.208 177.396 0.812 25790 2450 1 7 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.474 0.275 25790 2451 1 7 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.982 -0.282 25790 2452 1 7 . 1 1 14 14 GLN H H 14 7.573 7.573 7.591 -0.018 25790 2453 1 7 . 1 1 15 15 THR N N 15 107.493 107.493 107.798 -0.305 25790 2454 1 7 . 1 1 15 15 THR HA H 15 3.899 3.899 4.110 -0.211 25790 2455 1 7 . 1 1 15 15 THR C C 15 174.683 174.683 174.591 0.092 25790 2456 1 7 . 1 1 15 15 THR CA C 15 61.551 61.551 61.409 0.142 25790 2457 1 7 . 1 1 15 15 THR CB C 15 69.226 69.226 69.365 -0.139 25790 2458 1 7 . 1 1 15 15 THR H H 15 7.741 7.741 7.525 0.216 25790 2459 1 7 . 1 1 16 16 ALA N N 16 124.034 124.034 126.196 -2.162 25790 2460 1 7 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.927 0.208 25790 2461 1 7 . 1 1 16 16 ALA C C 16 179.899 179.899 178.515 1.384 25790 2462 1 7 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.846 0.361 25790 2463 1 7 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.898 0.826 25790 2464 1 7 . 1 1 16 16 ALA H H 16 6.873 6.873 7.532 -0.659 25790 2465 1 7 . 1 1 17 17 VAL N N 17 117.150 117.150 118.606 -1.456 25790 2466 1 7 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.735 -0.020 25790 2467 1 7 . 1 1 17 17 VAL C C 17 178.537 178.537 177.366 1.171 25790 2468 1 7 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.045 1.463 25790 2469 1 7 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.640 0.053 25790 2470 1 7 . 1 1 17 17 VAL H H 17 8.162 8.162 8.449 -0.287 25790 2471 1 7 . 1 1 18 18 GLN N N 18 119.489 119.489 120.316 -0.827 25790 2472 1 7 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.026 0.031 25790 2473 1 7 . 1 1 18 18 GLN C C 18 180.429 180.429 178.518 1.911 25790 2474 1 7 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.148 0.551 25790 2475 1 7 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.141 1.045 25790 2476 1 7 . 1 1 18 18 GLN H H 18 8.451 8.451 8.108 0.343 25790 2477 1 7 . 1 1 19 19 PHE N N 19 117.940 117.940 118.101 -0.161 25790 2478 1 7 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.583 0.247 25790 2479 1 7 . 1 1 19 19 PHE C C 19 177.858 177.858 178.019 -0.161 25790 2480 1 7 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.636 -0.607 25790 2481 1 7 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.561 -2.656 25790 2482 1 7 . 1 1 19 19 PHE H H 19 8.924 8.924 8.622 0.302 25790 2483 1 7 . 1 1 20 20 GLN N N 20 120.297 120.297 121.202 -0.905 25790 2484 1 7 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.916 0.190 25790 2485 1 7 . 1 1 20 20 GLN C C 20 178.986 178.986 178.163 0.823 25790 2486 1 7 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.758 -0.195 25790 2487 1 7 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.585 -0.690 25790 2488 1 7 . 1 1 20 20 GLN H H 20 8.264 8.264 8.055 0.209 25790 2489 1 7 . 1 1 21 21 GLN N N 21 118.595 118.595 117.954 0.641 25790 2490 1 7 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.040 0.042 25790 2491 1 7 . 1 1 21 21 GLN C C 21 178.806 178.806 178.525 0.281 25790 2492 1 7 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.904 0.266 25790 2493 1 7 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.460 -0.264 25790 2494 1 7 . 1 1 21 21 GLN H H 21 8.527 8.527 7.931 0.596 25790 2495 1 7 . 1 1 22 22 TYR N N 22 119.594 119.594 121.195 -1.601 25790 2496 1 7 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.209 0.038 25790 2497 1 7 . 1 1 22 22 TYR C C 22 177.789 177.789 177.208 0.581 25790 2498 1 7 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.703 1.008 25790 2499 1 7 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.437 0.287 25790 2500 1 7 . 1 1 22 22 TYR H H 22 7.843 7.843 7.669 0.174 25790 2501 1 7 . 1 1 23 23 ALA N N 23 120.663 120.663 121.235 -0.572 25790 2502 1 7 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.726 0.131 25790 2503 1 7 . 1 1 23 23 ALA C C 23 179.319 179.319 178.627 0.692 25790 2504 1 7 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.843 0.747 25790 2505 1 7 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.206 0.277 25790 2506 1 7 . 1 1 23 23 ALA H H 23 8.612 8.612 8.542 0.070 25790 2507 1 7 . 1 1 24 24 ALA N N 24 119.002 119.002 120.927 -1.925 25790 2508 1 7 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.058 -0.120 25790 2509 1 7 . 1 1 24 24 ALA C C 24 178.987 178.987 179.176 -0.189 25790 2510 1 7 . 1 1 24 24 ALA CA C 24 54.317 54.317 53.970 0.347 25790 2511 1 7 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.484 -0.593 25790 2512 1 7 . 1 1 24 24 ALA H H 24 8.168 8.168 8.034 0.134 25790 2513 1 7 . 1 1 25 25 GLN N N 25 115.599 115.599 116.639 -1.040 25790 2514 1 7 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.001 0.003 25790 2515 1 7 . 1 1 25 25 GLN C C 25 177.818 177.818 176.901 0.917 25790 2516 1 7 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.873 -0.419 25790 2517 1 7 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.882 -0.427 25790 2518 1 7 . 1 1 25 25 GLN H H 25 7.300 7.300 7.718 -0.418 25790 2519 1 7 . 1 1 26 26 GLN N N 26 116.989 116.989 116.663 0.326 25790 2520 1 7 . 1 1 26 26 GLN HA H 26 3.704 3.704 4.031 -0.327 25790 2521 1 7 . 1 1 26 26 GLN C C 26 175.979 175.979 176.180 -0.201 25790 2522 1 7 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.684 0.103 25790 2523 1 7 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.896 -1.816 25790 2524 1 7 . 1 1 26 26 GLN H H 26 7.401 7.401 7.197 0.204 25790 2525 1 7 . 1 1 27 27 TYR N N 27 114.712 114.712 118.355 -3.643 25790 2526 1 7 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.994 0.084 25790 2527 1 7 . 1 1 27 27 TYR C C 27 172.931 172.931 173.806 -0.875 25790 2528 1 7 . 1 1 27 27 TYR CA C 27 55.167 55.167 53.997 1.170 25790 2529 1 7 . 1 1 27 27 TYR CB C 27 39.660 39.660 37.941 1.719 25790 2530 1 7 . 1 1 27 27 TYR H H 27 7.675 7.675 8.318 -0.643 25790 2531 1 7 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.425 -0.063 25790 2532 1 7 . 1 1 28 28 PRO C C 28 179.333 179.333 178.076 1.257 25790 2533 1 7 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.875 0.519 25790 2534 1 7 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.754 -1.500 25790 2535 1 7 . 1 1 29 29 GLY N N 29 110.091 110.091 112.759 -2.668 25790 2536 1 7 . 1 1 29 29 GLY C C 29 173.218 173.218 174.506 -1.288 25790 2537 1 7 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.227 0.685 25790 2538 1 7 . 1 1 29 29 GLY H H 29 8.826 8.826 8.709 0.117 25790 2539 1 7 . 1 1 30 30 ASN N N 30 118.603 118.603 121.777 -3.174 25790 2540 1 7 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.083 -0.084 25790 2541 1 7 . 1 1 30 30 ASN C C 30 173.977 173.977 174.758 -0.781 25790 2542 1 7 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.748 -0.562 25790 2543 1 7 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.272 0.154 25790 2544 1 7 . 1 1 30 30 ASN H H 30 7.293 7.293 7.731 -0.438 25790 2545 1 7 . 1 1 31 31 TYR N N 31 125.240 125.240 126.152 -0.912 25790 2546 1 7 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.131 -0.233 25790 2547 1 7 . 1 1 31 31 TYR C C 31 177.343 177.343 176.743 0.600 25790 2548 1 7 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.383 -0.571 25790 2549 1 7 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.956 -0.599 25790 2550 1 7 . 1 1 31 31 TYR H H 31 8.509 8.509 8.027 0.482 25790 2551 1 7 . 1 1 32 32 GLU N N 32 118.993 118.993 117.067 1.926 25790 2552 1 7 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.779 0.121 25790 2553 1 7 . 1 1 32 32 GLU C C 32 179.549 179.549 178.662 0.887 25790 2554 1 7 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.407 0.705 25790 2555 1 7 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.134 1.034 25790 2556 1 7 . 1 1 32 32 GLU H H 32 8.714 8.714 8.884 -0.170 25790 2557 1 7 . 1 1 33 33 GLN N N 33 117.037 117.037 118.779 -1.742 25790 2558 1 7 . 1 1 33 33 GLN HA H 33 3.733 3.733 4.051 -0.318 25790 2559 1 7 . 1 1 33 33 GLN C C 33 179.119 179.119 178.823 0.296 25790 2560 1 7 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.714 -1.012 25790 2561 1 7 . 1 1 33 33 GLN CB C 33 27.626 27.626 28.188 -0.562 25790 2562 1 7 . 1 1 33 33 GLN H H 33 7.536 7.536 8.273 -0.737 25790 2563 1 7 . 1 1 34 34 GLN N N 34 117.723 117.723 119.607 -1.884 25790 2564 1 7 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.053 -0.242 25790 2565 1 7 . 1 1 34 34 GLN C C 34 177.634 177.634 178.582 -0.948 25790 2566 1 7 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.632 0.533 25790 2567 1 7 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.494 -0.993 25790 2568 1 7 . 1 1 34 34 GLN H H 34 7.968 7.968 8.521 -0.553 25790 2569 1 7 . 1 1 35 35 GLN N N 35 115.293 115.293 118.688 -3.395 25790 2570 1 7 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.039 -0.248 25790 2571 1 7 . 1 1 35 35 GLN C C 35 178.757 178.757 178.656 0.101 25790 2572 1 7 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.243 0.367 25790 2573 1 7 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.250 -0.045 25790 2574 1 7 . 1 1 35 35 GLN H H 35 7.870 7.870 7.599 0.271 25790 2575 1 7 . 1 1 36 36 ILE N N 36 120.769 120.769 120.959 -0.190 25790 2576 1 7 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.696 -0.132 25790 2577 1 7 . 1 1 36 36 ILE C C 36 178.273 178.273 178.172 0.101 25790 2578 1 7 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.198 0.038 25790 2579 1 7 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.791 0.582 25790 2580 1 7 . 1 1 36 36 ILE H H 36 7.503 7.503 7.849 -0.346 25790 2581 1 7 . 1 1 37 37 LEU N N 37 121.056 121.056 121.975 -0.919 25790 2582 1 7 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.121 0.188 25790 2583 1 7 . 1 1 37 37 LEU C C 37 178.348 178.348 178.412 -0.064 25790 2584 1 7 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.154 -0.420 25790 2585 1 7 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.821 -0.305 25790 2586 1 7 . 1 1 37 37 LEU H H 37 7.678 7.678 8.318 -0.640 25790 2587 1 7 . 1 1 38 38 ILE N N 38 119.334 119.334 119.464 -0.130 25790 2588 1 7 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.565 -0.224 25790 2589 1 7 . 1 1 38 38 ILE C C 38 177.371 177.371 177.938 -0.567 25790 2590 1 7 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.562 1.523 25790 2591 1 7 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.517 0.832 25790 2592 1 7 . 1 1 38 38 ILE H H 38 8.702 8.702 8.178 0.524 25790 2593 1 7 . 1 1 39 39 ARG N N 39 117.798 117.798 120.425 -2.627 25790 2594 1 7 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.182 0.033 25790 2595 1 7 . 1 1 39 39 ARG C C 39 179.555 179.555 178.698 0.857 25790 2596 1 7 . 1 1 39 39 ARG CA C 39 59.459 59.459 58.976 0.483 25790 2597 1 7 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.471 0.281 25790 2598 1 7 . 1 1 39 39 ARG H H 39 7.739 7.739 8.008 -0.269 25790 2599 1 7 . 1 1 40 40 GLN N N 40 119.432 119.432 119.548 -0.116 25790 2600 1 7 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.103 0.034 25790 2601 1 7 . 1 1 40 40 GLN C C 40 179.522 179.522 178.643 0.879 25790 2602 1 7 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.932 0.328 25790 2603 1 7 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.472 -0.114 25790 2604 1 7 . 1 1 40 40 GLN H H 40 7.811 7.811 7.741 0.070 25790 2605 1 7 . 1 1 41 41 LEU N N 41 121.592 121.592 119.762 1.830 25790 2606 1 7 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.699 -0.012 25790 2607 1 7 . 1 1 41 41 LEU C C 41 178.974 178.974 179.141 -0.167 25790 2608 1 7 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.625 0.338 25790 2609 1 7 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.032 -1.180 25790 2610 1 7 . 1 1 41 41 LEU H H 41 8.648 8.648 8.437 0.211 25790 2611 1 7 . 1 1 42 42 GLN N N 42 119.054 119.054 118.623 0.431 25790 2612 1 7 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.308 0.236 25790 2613 1 7 . 1 1 42 42 GLN C C 42 180.176 180.176 178.896 1.280 25790 2614 1 7 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.554 -0.320 25790 2615 1 7 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.777 -0.858 25790 2616 1 7 . 1 1 42 42 GLN H H 42 8.641 8.641 8.470 0.171 25790 2617 1 7 . 1 1 43 43 GLU N N 43 121.517 121.517 119.877 1.640 25790 2618 1 7 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.071 0.165 25790 2619 1 7 . 1 1 43 43 GLU C C 43 179.721 179.721 178.861 0.860 25790 2620 1 7 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.299 0.368 25790 2621 1 7 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.570 -0.312 25790 2622 1 7 . 1 1 43 43 GLU H H 43 8.111 8.111 7.939 0.172 25790 2623 1 7 . 1 1 44 44 GLN N N 44 119.240 119.240 119.204 0.036 25790 2624 1 7 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.144 -0.028 25790 2625 1 7 . 1 1 44 44 GLN C C 44 179.012 179.012 178.599 0.413 25790 2626 1 7 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.343 0.805 25790 2627 1 7 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.655 0.199 25790 2628 1 7 . 1 1 44 44 GLN H H 44 8.372 8.372 8.142 0.230 25790 2629 1 7 . 1 1 45 45 HIS N N 45 121.705 121.705 121.080 0.625 25790 2630 1 7 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.360 -0.080 25790 2631 1 7 . 1 1 45 45 HIS C C 45 176.395 176.395 177.139 -0.744 25790 2632 1 7 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.804 0.555 25790 2633 1 7 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.050 2.275 25790 2634 1 7 . 1 1 45 45 HIS H H 45 9.472 9.472 8.453 1.019 25790 2635 1 7 . 1 1 46 46 TYR N N 46 119.039 119.039 119.995 -0.956 25790 2636 1 7 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.177 -0.328 25790 2637 1 7 . 1 1 46 46 TYR C C 46 176.664 176.664 177.837 -1.173 25790 2638 1 7 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.359 -0.108 25790 2639 1 7 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.334 -0.661 25790 2640 1 7 . 1 1 46 46 TYR H H 46 8.253 8.253 8.355 -0.102 25790 2641 1 7 . 1 1 47 47 GLN N N 47 116.407 116.407 117.613 -1.206 25790 2642 1 7 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.917 -0.133 25790 2643 1 7 . 1 1 47 47 GLN C C 47 179.048 179.048 178.103 0.945 25790 2644 1 7 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.138 -0.189 25790 2645 1 7 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.362 -0.181 25790 2646 1 7 . 1 1 47 47 GLN H H 47 7.814 7.814 7.987 -0.173 25790 2647 1 7 . 1 1 48 48 GLN N N 48 119.803 119.803 119.972 -0.169 25790 2648 1 7 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.968 0.009 25790 2649 1 7 . 1 1 48 48 GLN C C 48 177.741 177.741 178.259 -0.518 25790 2650 1 7 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.828 -0.514 25790 2651 1 7 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.591 -0.263 25790 2652 1 7 . 1 1 48 48 GLN H H 48 8.645 8.645 7.659 0.986 25790 2653 1 7 . 1 1 49 49 TYR N N 49 121.342 121.342 120.962 0.380 25790 2654 1 7 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.014 -0.374 25790 2655 1 7 . 1 1 49 49 TYR C C 49 176.021 176.021 177.688 -1.667 25790 2656 1 7 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.621 0.488 25790 2657 1 7 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.326 0.581 25790 2658 1 7 . 1 1 49 49 TYR H H 49 9.105 9.105 8.433 0.672 25790 2659 1 7 . 1 1 50 50 MET N N 50 115.522 115.522 118.470 -2.948 25790 2660 1 7 . 1 1 50 50 MET HA H 50 4.040 4.040 3.870 0.170 25790 2661 1 7 . 1 1 50 50 MET C C 50 179.841 179.841 178.179 1.662 25790 2662 1 7 . 1 1 50 50 MET CA C 50 56.623 56.623 58.656 -2.033 25790 2663 1 7 . 1 1 50 50 MET CB C 50 30.099 30.099 32.403 -2.304 25790 2664 1 7 . 1 1 50 50 MET H H 50 8.060 8.060 8.311 -0.251 25790 2665 1 7 . 1 1 51 51 GLN N N 51 118.942 118.942 118.550 0.392 25790 2666 1 7 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.944 0.121 25790 2667 1 7 . 1 1 51 51 GLN C C 51 178.707 178.707 178.510 0.197 25790 2668 1 7 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.345 -0.404 25790 2669 1 7 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.500 -0.011 25790 2670 1 7 . 1 1 51 51 GLN H H 51 7.830 7.830 7.870 -0.040 25790 2671 1 7 . 1 1 52 52 GLN N N 52 119.210 119.210 120.152 -0.942 25790 2672 1 7 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.074 -0.017 25790 2673 1 7 . 1 1 52 52 GLN C C 52 178.738 178.738 178.547 0.191 25790 2674 1 7 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.292 0.457 25790 2675 1 7 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.252 0.151 25790 2676 1 7 . 1 1 52 52 GLN H H 52 8.187 8.187 8.048 0.139 25790 2677 1 7 . 1 1 53 53 LEU N N 53 121.233 121.233 119.862 1.371 25790 2678 1 7 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.837 0.004 25790 2679 1 7 . 1 1 53 53 LEU C C 53 179.191 179.191 178.578 0.613 25790 2680 1 7 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.275 0.470 25790 2681 1 7 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.508 0.358 25790 2682 1 7 . 1 1 53 53 LEU H H 53 8.441 8.441 7.956 0.485 25790 2683 1 7 . 1 1 54 54 TYR N N 54 118.505 118.505 119.666 -1.161 25790 2684 1 7 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.995 0.323 25790 2685 1 7 . 1 1 54 54 TYR C C 54 177.535 177.535 176.988 0.547 25790 2686 1 7 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.948 -1.471 25790 2687 1 7 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.921 -0.135 25790 2688 1 7 . 1 1 54 54 TYR H H 54 7.819 7.819 8.006 -0.187 25790 2689 1 7 . 1 1 55 55 GLN N N 55 117.299 117.299 118.128 -0.829 25790 2690 1 7 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.606 0.293 25790 2691 1 7 . 1 1 55 55 GLN C C 55 179.041 179.041 178.230 0.811 25790 2692 1 7 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.504 0.205 25790 2693 1 7 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.505 -0.289 25790 2694 1 7 . 1 1 55 55 GLN H H 55 7.735 7.735 7.534 0.201 25790 2695 1 7 . 1 1 56 56 VAL N N 56 120.879 120.879 120.550 0.329 25790 2696 1 7 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.641 0.151 25790 2697 1 7 . 1 1 56 56 VAL C C 56 178.262 178.262 178.089 0.173 25790 2698 1 7 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.081 -0.139 25790 2699 1 7 . 1 1 56 56 VAL CB C 56 31.879 31.879 30.799 1.080 25790 2700 1 7 . 1 1 56 56 VAL H H 56 8.014 8.014 7.649 0.365 25790 2701 1 7 . 1 1 57 57 GLN N N 57 120.513 120.513 119.452 1.061 25790 2702 1 7 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.000 0.060 25790 2703 1 7 . 1 1 57 57 GLN C C 57 178.772 178.772 178.773 -0.001 25790 2704 1 7 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.284 -0.668 25790 2705 1 7 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.681 -0.696 25790 2706 1 7 . 1 1 57 57 GLN H H 57 8.103 8.103 8.068 0.035 25790 2707 1 7 . 1 1 58 58 LEU N N 58 121.244 121.244 116.831 4.413 25790 2708 1 7 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.135 -0.130 25790 2709 1 7 . 1 1 58 58 LEU C C 58 179.134 179.134 178.148 0.986 25790 2710 1 7 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.639 -0.133 25790 2711 1 7 . 1 1 58 58 LEU CB C 58 41.803 41.803 40.874 0.929 25790 2712 1 7 . 1 1 58 58 LEU H H 58 8.176 8.176 7.719 0.457 25790 2713 1 7 . 1 1 59 59 ALA N N 59 121.608 121.608 122.881 -1.273 25790 2714 1 7 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.818 0.347 25790 2715 1 7 . 1 1 59 59 ALA C C 59 180.497 180.497 179.701 0.796 25790 2716 1 7 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.168 -0.586 25790 2717 1 7 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.279 -0.226 25790 2718 1 7 . 1 1 59 59 ALA H H 59 7.833 7.833 8.043 -0.210 25790 2719 1 7 . 1 1 60 60 GLN N N 60 118.335 118.335 117.393 0.942 25790 2720 1 7 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.920 0.228 25790 2721 1 7 . 1 1 60 60 GLN C C 60 178.334 178.334 178.912 -0.578 25790 2722 1 7 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.842 -0.865 25790 2723 1 7 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.492 -0.057 25790 2724 1 7 . 1 1 60 60 GLN H H 60 8.081 8.081 7.743 0.338 25790 2725 1 7 . 1 1 61 61 GLN N N 61 120.206 120.206 118.463 1.743 25790 2726 1 7 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.016 0.146 25790 2727 1 7 . 1 1 61 61 GLN C C 61 178.002 178.002 178.516 -0.514 25790 2728 1 7 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.476 -0.571 25790 2729 1 7 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.208 0.371 25790 2730 1 7 . 1 1 61 61 GLN H H 61 8.111 8.111 7.543 0.568 25790 2731 1 7 . 1 1 62 62 GLN N N 62 118.980 118.980 118.837 0.143 25790 2732 1 7 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.085 0.044 25790 2733 1 7 . 1 1 62 62 GLN C C 62 177.624 177.624 178.199 -0.575 25790 2734 1 7 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.472 -0.836 25790 2735 1 7 . 1 1 62 62 GLN CB C 62 28.636 28.636 27.863 0.773 25790 2736 1 7 . 1 1 62 62 GLN H H 62 8.203 8.203 8.223 -0.020 25790 2737 1 7 . 1 1 63 63 ALA N N 63 122.712 122.712 122.475 0.237 25790 2738 1 7 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.108 0.098 25790 2739 1 7 . 1 1 63 63 ALA C C 63 178.922 178.922 178.629 0.293 25790 2740 1 7 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.540 -0.644 25790 2741 1 7 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.018 0.441 25790 2742 1 7 . 1 1 63 63 ALA H H 63 8.004 8.004 8.264 -0.260 25790 2743 1 7 . 1 1 64 64 ALA N N 64 120.813 120.813 120.146 0.667 25790 2744 1 7 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.206 0.026 25790 2745 1 7 . 1 1 64 64 ALA C C 64 178.732 178.732 178.649 0.083 25790 2746 1 7 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.710 -0.194 25790 2747 1 7 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.344 -0.714 25790 2748 1 7 . 1 1 64 64 ALA H H 64 7.837 7.837 7.609 0.228 25790 2749 1 7 . 1 1 65 65 LEU N N 65 119.196 119.196 117.771 1.425 25790 2750 1 7 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.273 -0.016 25790 2751 1 7 . 1 1 65 65 LEU C C 65 178.038 178.038 177.557 0.481 25790 2752 1 7 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.608 0.214 25790 2753 1 7 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.761 -0.497 25790 2754 1 7 . 1 1 65 65 LEU H H 65 7.765 7.765 7.482 0.283 25790 2755 1 7 . 1 1 66 66 GLN N N 66 119.365 119.365 114.097 5.268 25790 2756 1 7 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.982 0.293 25790 2757 1 7 . 1 1 66 66 GLN C C 66 176.120 176.120 175.756 0.364 25790 2758 1 7 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.001 -0.934 25790 2759 1 7 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.272 2.860 25790 2760 1 7 . 1 1 66 66 GLN H H 66 7.967 7.967 8.276 -0.309 25790 2761 1 7 . 1 1 67 67 LYS N N 67 121.521 121.521 116.981 4.540 25790 2762 1 7 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.340 -0.031 25790 2763 1 7 . 1 1 67 67 LYS C C 67 176.437 176.437 176.963 -0.526 25790 2764 1 7 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.135 0.254 25790 2765 1 7 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.763 0.278 25790 2766 1 7 . 1 1 67 67 LYS H H 67 8.053 8.053 8.400 -0.347 25790 2767 1 7 . 1 1 68 68 GLN N N 68 121.970 121.970 118.270 3.700 25790 2768 1 7 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.543 -0.204 25790 2769 1 7 . 1 1 68 68 GLN C C 68 175.120 175.120 175.107 0.013 25790 2770 1 7 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.261 0.739 25790 2771 1 7 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.216 1.282 25790 2772 1 7 . 1 1 68 68 GLN H H 68 8.314 8.314 8.175 0.139 25790 2773 1 8 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.544 -0.097 25790 2774 1 8 . 1 1 2 2 GLN C C 2 176.144 176.144 175.188 0.956 25790 2775 1 8 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.319 0.890 25790 2776 1 8 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.067 0.392 25790 2777 1 8 . 1 1 3 3 GLN N N 3 122.052 122.052 124.099 -2.047 25790 2778 1 8 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.610 -0.287 25790 2779 1 8 . 1 1 3 3 GLN C C 3 176.988 176.988 176.093 0.895 25790 2780 1 8 . 1 1 3 3 GLN CA C 3 57.403 57.403 54.929 2.474 25790 2781 1 8 . 1 1 3 3 GLN CB C 3 29.239 29.239 29.224 0.015 25790 2782 1 8 . 1 1 3 3 GLN H H 3 8.780 8.780 8.687 0.093 25790 2783 1 8 . 1 1 4 4 LYS N N 4 121.855 121.855 125.634 -3.779 25790 2784 1 8 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.096 -0.092 25790 2785 1 8 . 1 1 4 4 LYS C C 4 177.638 177.638 177.702 -0.064 25790 2786 1 8 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.099 1.139 25790 2787 1 8 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.178 0.521 25790 2788 1 8 . 1 1 4 4 LYS H H 4 8.528 8.528 8.911 -0.383 25790 2789 1 8 . 1 1 5 5 GLN N N 5 116.397 116.397 118.343 -1.946 25790 2790 1 8 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.053 -0.112 25790 2791 1 8 . 1 1 5 5 GLN C C 5 178.761 178.761 178.645 0.116 25790 2792 1 8 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.845 0.504 25790 2793 1 8 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.181 -0.231 25790 2794 1 8 . 1 1 5 5 GLN H H 5 8.223 8.223 8.604 -0.381 25790 2795 1 8 . 1 1 6 6 GLN N N 6 119.262 119.262 118.516 0.746 25790 2796 1 8 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.092 0.036 25790 2797 1 8 . 1 1 6 6 GLN C C 6 179.018 179.018 178.303 0.715 25790 2798 1 8 . 1 1 6 6 GLN CA C 6 59.089 59.089 59.110 -0.021 25790 2799 1 8 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.433 0.276 25790 2800 1 8 . 1 1 6 6 GLN H H 6 7.848 7.848 7.866 -0.018 25790 2801 1 8 . 1 1 7 7 ILE N N 7 121.296 121.296 119.961 1.335 25790 2802 1 8 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.828 -0.245 25790 2803 1 8 . 1 1 7 7 ILE C C 7 177.833 177.833 177.871 -0.038 25790 2804 1 8 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.917 0.212 25790 2805 1 8 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.792 0.414 25790 2806 1 8 . 1 1 7 7 ILE H H 7 8.095 8.095 7.952 0.143 25790 2807 1 8 . 1 1 8 8 MET N N 8 117.603 117.603 119.189 -1.586 25790 2808 1 8 . 1 1 8 8 MET HA H 8 3.985 3.985 4.238 -0.253 25790 2809 1 8 . 1 1 8 8 MET C C 8 177.355 177.355 178.540 -1.185 25790 2810 1 8 . 1 1 8 8 MET CA C 8 59.932 59.932 57.479 2.453 25790 2811 1 8 . 1 1 8 8 MET CB C 8 32.721 32.721 31.138 1.583 25790 2812 1 8 . 1 1 8 8 MET H H 8 8.672 8.672 8.490 0.182 25790 2813 1 8 . 1 1 9 9 ALA N N 9 118.774 118.774 121.582 -2.808 25790 2814 1 8 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.003 0.043 25790 2815 1 8 . 1 1 9 9 ALA C C 9 180.546 180.546 179.254 1.292 25790 2816 1 8 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.291 0.094 25790 2817 1 8 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.930 -0.032 25790 2818 1 8 . 1 1 9 9 ALA H H 9 7.795 7.795 8.300 -0.505 25790 2819 1 8 . 1 1 10 10 ALA N N 10 120.854 120.854 121.636 -0.782 25790 2820 1 8 . 1 1 10 10 ALA HA H 10 4.205 4.205 3.992 0.213 25790 2821 1 8 . 1 1 10 10 ALA C C 10 181.200 181.200 179.509 1.691 25790 2822 1 8 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.883 0.129 25790 2823 1 8 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.439 0.822 25790 2824 1 8 . 1 1 10 10 ALA H H 10 7.438 7.438 7.590 -0.152 25790 2825 1 8 . 1 1 11 11 LEU N N 11 120.775 120.775 118.547 2.228 25790 2826 1 8 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.806 -0.058 25790 2827 1 8 . 1 1 11 11 LEU C C 11 179.041 179.041 179.573 -0.532 25790 2828 1 8 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.918 0.428 25790 2829 1 8 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.479 -1.502 25790 2830 1 8 . 1 1 11 11 LEU H H 11 8.757 8.757 8.528 0.229 25790 2831 1 8 . 1 1 12 12 ASN N N 12 116.313 116.313 118.276 -1.963 25790 2832 1 8 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.534 0.030 25790 2833 1 8 . 1 1 12 12 ASN C C 12 178.900 178.900 177.541 1.359 25790 2834 1 8 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.773 -1.708 25790 2835 1 8 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.882 -0.889 25790 2836 1 8 . 1 1 12 12 ASN H H 12 8.850 8.850 8.773 0.077 25790 2837 1 8 . 1 1 13 13 SER N N 13 114.747 114.747 115.110 -0.363 25790 2838 1 8 . 1 1 13 13 SER HA H 13 4.370 4.370 4.263 0.107 25790 2839 1 8 . 1 1 13 13 SER C C 13 176.515 176.515 176.655 -0.140 25790 2840 1 8 . 1 1 13 13 SER CA C 13 61.141 61.141 61.635 -0.494 25790 2841 1 8 . 1 1 13 13 SER CB C 13 63.044 63.044 63.244 -0.200 25790 2842 1 8 . 1 1 13 13 SER H H 13 7.672 7.672 7.804 -0.132 25790 2843 1 8 . 1 1 14 14 GLN N N 14 119.954 119.954 119.167 0.787 25790 2844 1 8 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.174 0.044 25790 2845 1 8 . 1 1 14 14 GLN C C 14 178.208 178.208 177.128 1.080 25790 2846 1 8 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.268 -0.519 25790 2847 1 8 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.781 -0.081 25790 2848 1 8 . 1 1 14 14 GLN H H 14 7.573 7.573 7.779 -0.206 25790 2849 1 8 . 1 1 15 15 THR N N 15 107.493 107.493 108.581 -1.088 25790 2850 1 8 . 1 1 15 15 THR HA H 15 3.899 3.899 4.247 -0.348 25790 2851 1 8 . 1 1 15 15 THR C C 15 174.683 174.683 173.999 0.684 25790 2852 1 8 . 1 1 15 15 THR CA C 15 61.551 61.551 60.730 0.821 25790 2853 1 8 . 1 1 15 15 THR CB C 15 69.226 69.226 69.275 -0.049 25790 2854 1 8 . 1 1 15 15 THR H H 15 7.741 7.741 7.610 0.131 25790 2855 1 8 . 1 1 16 16 ALA N N 16 124.034 124.034 126.071 -2.037 25790 2856 1 8 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.957 0.178 25790 2857 1 8 . 1 1 16 16 ALA C C 16 179.899 179.899 179.038 0.861 25790 2858 1 8 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.514 0.693 25790 2859 1 8 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.038 0.686 25790 2860 1 8 . 1 1 16 16 ALA H H 16 6.873 6.873 7.032 -0.159 25790 2861 1 8 . 1 1 17 17 VAL N N 17 117.150 117.150 118.550 -1.400 25790 2862 1 8 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.729 -0.015 25790 2863 1 8 . 1 1 17 17 VAL C C 17 178.537 178.537 177.034 1.503 25790 2864 1 8 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.067 1.441 25790 2865 1 8 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.581 0.112 25790 2866 1 8 . 1 1 17 17 VAL H H 17 8.162 8.162 8.289 -0.127 25790 2867 1 8 . 1 1 18 18 GLN N N 18 119.489 119.489 120.444 -0.955 25790 2868 1 8 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.019 0.038 25790 2869 1 8 . 1 1 18 18 GLN C C 18 180.429 180.429 178.432 1.997 25790 2870 1 8 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.261 0.438 25790 2871 1 8 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.377 0.810 25790 2872 1 8 . 1 1 18 18 GLN H H 18 8.451 8.451 8.005 0.446 25790 2873 1 8 . 1 1 19 19 PHE N N 19 117.940 117.940 118.284 -0.344 25790 2874 1 8 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.499 0.331 25790 2875 1 8 . 1 1 19 19 PHE C C 19 177.858 177.858 178.162 -0.304 25790 2876 1 8 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.492 -1.462 25790 2877 1 8 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.244 -2.339 25790 2878 1 8 . 1 1 19 19 PHE H H 19 8.924 8.924 8.546 0.378 25790 2879 1 8 . 1 1 20 20 GLN N N 20 120.297 120.297 120.477 -0.180 25790 2880 1 8 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.970 0.136 25790 2881 1 8 . 1 1 20 20 GLN C C 20 178.986 178.986 178.389 0.597 25790 2882 1 8 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.908 -0.345 25790 2883 1 8 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.474 -0.579 25790 2884 1 8 . 1 1 20 20 GLN H H 20 8.264 8.264 8.498 -0.234 25790 2885 1 8 . 1 1 21 21 GLN N N 21 118.595 118.595 118.279 0.316 25790 2886 1 8 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.046 0.036 25790 2887 1 8 . 1 1 21 21 GLN C C 21 178.806 178.806 178.590 0.216 25790 2888 1 8 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.779 0.391 25790 2889 1 8 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.740 -0.544 25790 2890 1 8 . 1 1 21 21 GLN H H 21 8.527 8.527 8.153 0.374 25790 2891 1 8 . 1 1 22 22 TYR N N 22 119.594 119.594 121.320 -1.726 25790 2892 1 8 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.186 0.061 25790 2893 1 8 . 1 1 22 22 TYR C C 22 177.789 177.789 177.177 0.612 25790 2894 1 8 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.900 0.812 25790 2895 1 8 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.493 0.231 25790 2896 1 8 . 1 1 22 22 TYR H H 22 7.843 7.843 7.733 0.110 25790 2897 1 8 . 1 1 23 23 ALA N N 23 120.663 120.663 121.167 -0.504 25790 2898 1 8 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.725 0.132 25790 2899 1 8 . 1 1 23 23 ALA C C 23 179.319 179.319 178.683 0.636 25790 2900 1 8 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.893 0.696 25790 2901 1 8 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.243 0.239 25790 2902 1 8 . 1 1 23 23 ALA H H 23 8.612 8.612 8.629 -0.017 25790 2903 1 8 . 1 1 24 24 ALA N N 24 119.002 119.002 119.781 -0.779 25790 2904 1 8 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.064 -0.126 25790 2905 1 8 . 1 1 24 24 ALA C C 24 178.987 178.987 179.116 -0.129 25790 2906 1 8 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.493 -0.176 25790 2907 1 8 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.473 -0.581 25790 2908 1 8 . 1 1 24 24 ALA H H 24 8.168 8.168 8.284 -0.116 25790 2909 1 8 . 1 1 25 25 GLN N N 25 115.599 115.599 116.261 -0.662 25790 2910 1 8 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.048 -0.044 25790 2911 1 8 . 1 1 25 25 GLN C C 25 177.818 177.818 177.381 0.437 25790 2912 1 8 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.066 -0.612 25790 2913 1 8 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.599 -0.143 25790 2914 1 8 . 1 1 25 25 GLN H H 25 7.300 7.300 7.466 -0.166 25790 2915 1 8 . 1 1 26 26 GLN N N 26 116.989 116.989 116.871 0.118 25790 2916 1 8 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.933 -0.229 25790 2917 1 8 . 1 1 26 26 GLN C C 26 175.979 175.979 176.097 -0.118 25790 2918 1 8 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.940 -0.152 25790 2919 1 8 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.775 -0.695 25790 2920 1 8 . 1 1 26 26 GLN H H 26 7.401 7.401 7.194 0.207 25790 2921 1 8 . 1 1 27 27 TYR N N 27 114.712 114.712 117.858 -3.146 25790 2922 1 8 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.952 0.126 25790 2923 1 8 . 1 1 27 27 TYR C C 27 172.931 172.931 173.631 -0.700 25790 2924 1 8 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.186 0.981 25790 2925 1 8 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.054 1.606 25790 2926 1 8 . 1 1 27 27 TYR H H 27 7.675 7.675 8.255 -0.580 25790 2927 1 8 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.496 -0.134 25790 2928 1 8 . 1 1 28 28 PRO C C 28 179.333 179.333 177.822 1.511 25790 2929 1 8 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.959 0.435 25790 2930 1 8 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.436 -1.182 25790 2931 1 8 . 1 1 29 29 GLY N N 29 110.091 110.091 112.942 -2.851 25790 2932 1 8 . 1 1 29 29 GLY C C 29 173.218 173.218 174.391 -1.173 25790 2933 1 8 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.236 0.676 25790 2934 1 8 . 1 1 29 29 GLY H H 29 8.826 8.826 8.710 0.116 25790 2935 1 8 . 1 1 30 30 ASN N N 30 118.603 118.603 121.337 -2.734 25790 2936 1 8 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.014 -0.015 25790 2937 1 8 . 1 1 30 30 ASN C C 30 173.977 173.977 174.466 -0.489 25790 2938 1 8 . 1 1 30 30 ASN CA C 30 51.185 51.185 52.000 -0.815 25790 2939 1 8 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.446 -0.020 25790 2940 1 8 . 1 1 30 30 ASN H H 30 7.293 7.293 7.767 -0.474 25790 2941 1 8 . 1 1 31 31 TYR N N 31 125.240 125.240 126.209 -0.969 25790 2942 1 8 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.075 -0.177 25790 2943 1 8 . 1 1 31 31 TYR C C 31 177.343 177.343 176.464 0.879 25790 2944 1 8 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.676 -0.865 25790 2945 1 8 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.881 -0.524 25790 2946 1 8 . 1 1 31 31 TYR H H 31 8.509 8.509 8.277 0.232 25790 2947 1 8 . 1 1 32 32 GLU N N 32 118.993 118.993 116.548 2.445 25790 2948 1 8 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.755 0.145 25790 2949 1 8 . 1 1 32 32 GLU C C 32 179.549 179.549 178.498 1.051 25790 2950 1 8 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.523 0.589 25790 2951 1 8 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.039 1.129 25790 2952 1 8 . 1 1 32 32 GLU H H 32 8.714 8.714 8.768 -0.054 25790 2953 1 8 . 1 1 33 33 GLN N N 33 117.037 117.037 118.521 -1.484 25790 2954 1 8 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.970 -0.237 25790 2955 1 8 . 1 1 33 33 GLN C C 33 179.119 179.119 178.736 0.383 25790 2956 1 8 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.262 -0.560 25790 2957 1 8 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.425 0.201 25790 2958 1 8 . 1 1 33 33 GLN H H 33 7.536 7.536 8.278 -0.742 25790 2959 1 8 . 1 1 34 34 GLN N N 34 117.723 117.723 119.671 -1.948 25790 2960 1 8 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.122 -0.311 25790 2961 1 8 . 1 1 34 34 GLN C C 34 177.634 177.634 178.647 -1.013 25790 2962 1 8 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.549 0.616 25790 2963 1 8 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.463 -0.962 25790 2964 1 8 . 1 1 34 34 GLN H H 34 7.968 7.968 8.448 -0.480 25790 2965 1 8 . 1 1 35 35 GLN N N 35 115.293 115.293 118.558 -3.265 25790 2966 1 8 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.047 -0.256 25790 2967 1 8 . 1 1 35 35 GLN C C 35 178.757 178.757 178.612 0.145 25790 2968 1 8 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.320 0.290 25790 2969 1 8 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.303 -0.098 25790 2970 1 8 . 1 1 35 35 GLN H H 35 7.870 7.870 7.628 0.242 25790 2971 1 8 . 1 1 36 36 ILE N N 36 120.769 120.769 121.153 -0.384 25790 2972 1 8 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.671 -0.107 25790 2973 1 8 . 1 1 36 36 ILE C C 36 178.273 178.273 178.132 0.141 25790 2974 1 8 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.232 0.004 25790 2975 1 8 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.736 0.637 25790 2976 1 8 . 1 1 36 36 ILE H H 36 7.503 7.503 7.823 -0.320 25790 2977 1 8 . 1 1 37 37 LEU N N 37 121.056 121.056 122.119 -1.063 25790 2978 1 8 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.189 0.120 25790 2979 1 8 . 1 1 37 37 LEU C C 37 178.348 178.348 178.679 -0.331 25790 2980 1 8 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.857 -0.123 25790 2981 1 8 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.970 -0.454 25790 2982 1 8 . 1 1 37 37 LEU H H 37 7.678 7.678 8.146 -0.468 25790 2983 1 8 . 1 1 38 38 ILE N N 38 119.334 119.334 119.343 -0.009 25790 2984 1 8 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.489 -0.148 25790 2985 1 8 . 1 1 38 38 ILE C C 38 177.371 177.371 177.891 -0.520 25790 2986 1 8 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.593 1.492 25790 2987 1 8 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.527 0.822 25790 2988 1 8 . 1 1 38 38 ILE H H 38 8.702 8.702 8.191 0.511 25790 2989 1 8 . 1 1 39 39 ARG N N 39 117.798 117.798 120.355 -2.557 25790 2990 1 8 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.187 0.028 25790 2991 1 8 . 1 1 39 39 ARG C C 39 179.555 179.555 178.859 0.696 25790 2992 1 8 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.260 0.199 25790 2993 1 8 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.706 0.046 25790 2994 1 8 . 1 1 39 39 ARG H H 39 7.739 7.739 8.198 -0.459 25790 2995 1 8 . 1 1 40 40 GLN N N 40 119.432 119.432 118.966 0.466 25790 2996 1 8 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.080 0.057 25790 2997 1 8 . 1 1 40 40 GLN C C 40 179.522 179.522 178.621 0.901 25790 2998 1 8 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.879 0.381 25790 2999 1 8 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.672 -0.314 25790 3000 1 8 . 1 1 40 40 GLN H H 40 7.811 7.811 7.742 0.069 25790 3001 1 8 . 1 1 41 41 LEU N N 41 121.592 121.592 120.360 1.232 25790 3002 1 8 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.802 -0.115 25790 3003 1 8 . 1 1 41 41 LEU C C 41 178.974 178.974 179.286 -0.312 25790 3004 1 8 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.567 0.396 25790 3005 1 8 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.828 -0.976 25790 3006 1 8 . 1 1 41 41 LEU H H 41 8.648 8.648 8.422 0.226 25790 3007 1 8 . 1 1 42 42 GLN N N 42 119.054 119.054 117.729 1.325 25790 3008 1 8 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.243 0.301 25790 3009 1 8 . 1 1 42 42 GLN C C 42 180.176 180.176 178.609 1.567 25790 3010 1 8 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.539 -0.305 25790 3011 1 8 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.599 -0.679 25790 3012 1 8 . 1 1 42 42 GLN H H 42 8.641 8.641 8.451 0.190 25790 3013 1 8 . 1 1 43 43 GLU N N 43 121.517 121.517 121.195 0.322 25790 3014 1 8 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.093 0.143 25790 3015 1 8 . 1 1 43 43 GLU C C 43 179.721 179.721 178.780 0.941 25790 3016 1 8 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.482 0.185 25790 3017 1 8 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.584 -0.326 25790 3018 1 8 . 1 1 43 43 GLU H H 43 8.111 8.111 7.896 0.215 25790 3019 1 8 . 1 1 44 44 GLN N N 44 119.240 119.240 118.823 0.417 25790 3020 1 8 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.050 0.066 25790 3021 1 8 . 1 1 44 44 GLN C C 44 179.012 179.012 178.472 0.540 25790 3022 1 8 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.094 0.055 25790 3023 1 8 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.838 0.016 25790 3024 1 8 . 1 1 44 44 GLN H H 44 8.372 8.372 8.333 0.039 25790 3025 1 8 . 1 1 45 45 HIS N N 45 121.705 121.705 120.080 1.625 25790 3026 1 8 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.400 -0.120 25790 3027 1 8 . 1 1 45 45 HIS C C 45 176.395 176.395 177.201 -0.806 25790 3028 1 8 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.468 0.891 25790 3029 1 8 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.042 2.283 25790 3030 1 8 . 1 1 45 45 HIS H H 45 9.472 9.472 8.597 0.875 25790 3031 1 8 . 1 1 46 46 TYR N N 46 119.039 119.039 120.419 -1.380 25790 3032 1 8 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.100 -0.251 25790 3033 1 8 . 1 1 46 46 TYR C C 46 176.664 176.664 177.922 -1.258 25790 3034 1 8 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.442 -0.191 25790 3035 1 8 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.493 -0.821 25790 3036 1 8 . 1 1 46 46 TYR H H 46 8.253 8.253 8.430 -0.177 25790 3037 1 8 . 1 1 47 47 GLN N N 47 116.407 116.407 117.572 -1.165 25790 3038 1 8 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.910 -0.126 25790 3039 1 8 . 1 1 47 47 GLN C C 47 179.048 179.048 178.216 0.832 25790 3040 1 8 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.568 -0.619 25790 3041 1 8 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.470 -0.289 25790 3042 1 8 . 1 1 47 47 GLN H H 47 7.814 7.814 8.039 -0.225 25790 3043 1 8 . 1 1 48 48 GLN N N 48 119.803 119.803 120.217 -0.414 25790 3044 1 8 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.006 -0.029 25790 3045 1 8 . 1 1 48 48 GLN C C 48 177.741 177.741 178.322 -0.581 25790 3046 1 8 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.906 -0.592 25790 3047 1 8 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.748 -0.421 25790 3048 1 8 . 1 1 48 48 GLN H H 48 8.645 8.645 7.913 0.732 25790 3049 1 8 . 1 1 49 49 TYR N N 49 121.342 121.342 121.069 0.273 25790 3050 1 8 . 1 1 49 49 TYR HA H 49 3.640 3.640 3.981 -0.341 25790 3051 1 8 . 1 1 49 49 TYR C C 49 176.021 176.021 177.604 -1.583 25790 3052 1 8 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.398 0.711 25790 3053 1 8 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.187 0.720 25790 3054 1 8 . 1 1 49 49 TYR H H 49 9.105 9.105 8.405 0.700 25790 3055 1 8 . 1 1 50 50 MET N N 50 115.522 115.522 118.537 -3.015 25790 3056 1 8 . 1 1 50 50 MET HA H 50 4.040 4.040 3.761 0.279 25790 3057 1 8 . 1 1 50 50 MET C C 50 179.841 179.841 178.108 1.733 25790 3058 1 8 . 1 1 50 50 MET CA C 50 56.623 56.623 58.498 -1.875 25790 3059 1 8 . 1 1 50 50 MET CB C 50 30.099 30.099 32.413 -2.314 25790 3060 1 8 . 1 1 50 50 MET H H 50 8.060 8.060 8.433 -0.373 25790 3061 1 8 . 1 1 51 51 GLN N N 51 118.942 118.942 118.810 0.132 25790 3062 1 8 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.935 0.130 25790 3063 1 8 . 1 1 51 51 GLN C C 51 178.707 178.707 178.183 0.524 25790 3064 1 8 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.315 -0.374 25790 3065 1 8 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.611 -0.122 25790 3066 1 8 . 1 1 51 51 GLN H H 51 7.830 7.830 8.253 -0.423 25790 3067 1 8 . 1 1 52 52 GLN N N 52 119.210 119.210 119.905 -0.695 25790 3068 1 8 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.024 0.033 25790 3069 1 8 . 1 1 52 52 GLN C C 52 178.738 178.738 178.542 0.196 25790 3070 1 8 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.950 -0.201 25790 3071 1 8 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.580 -0.177 25790 3072 1 8 . 1 1 52 52 GLN H H 52 8.187 8.187 8.006 0.181 25790 3073 1 8 . 1 1 53 53 LEU N N 53 121.233 121.233 119.450 1.783 25790 3074 1 8 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.809 0.032 25790 3075 1 8 . 1 1 53 53 LEU C C 53 179.191 179.191 178.753 0.438 25790 3076 1 8 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.442 0.303 25790 3077 1 8 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.517 0.349 25790 3078 1 8 . 1 1 53 53 LEU H H 53 8.441 8.441 7.988 0.453 25790 3079 1 8 . 1 1 54 54 TYR N N 54 118.505 118.505 119.263 -0.758 25790 3080 1 8 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.021 0.297 25790 3081 1 8 . 1 1 54 54 TYR C C 54 177.535 177.535 177.067 0.468 25790 3082 1 8 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.751 -1.274 25790 3083 1 8 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.927 -0.141 25790 3084 1 8 . 1 1 54 54 TYR H H 54 7.819 7.819 8.085 -0.266 25790 3085 1 8 . 1 1 55 55 GLN N N 55 117.299 117.299 118.066 -0.767 25790 3086 1 8 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.544 0.355 25790 3087 1 8 . 1 1 55 55 GLN C C 55 179.041 179.041 178.079 0.962 25790 3088 1 8 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.359 0.349 25790 3089 1 8 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.496 -0.281 25790 3090 1 8 . 1 1 55 55 GLN H H 55 7.735 7.735 7.502 0.233 25790 3091 1 8 . 1 1 56 56 VAL N N 56 120.879 120.879 121.315 -0.436 25790 3092 1 8 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.563 0.229 25790 3093 1 8 . 1 1 56 56 VAL C C 56 178.262 178.262 177.875 0.387 25790 3094 1 8 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.632 -0.690 25790 3095 1 8 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.093 0.786 25790 3096 1 8 . 1 1 56 56 VAL H H 56 8.014 8.014 7.876 0.138 25790 3097 1 8 . 1 1 57 57 GLN N N 57 120.513 120.513 119.377 1.136 25790 3098 1 8 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.984 0.076 25790 3099 1 8 . 1 1 57 57 GLN C C 57 178.772 178.772 178.987 -0.215 25790 3100 1 8 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.038 -0.422 25790 3101 1 8 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.700 -0.715 25790 3102 1 8 . 1 1 57 57 GLN H H 57 8.103 8.103 8.008 0.095 25790 3103 1 8 . 1 1 58 58 LEU N N 58 121.244 121.244 119.151 2.093 25790 3104 1 8 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.932 0.073 25790 3105 1 8 . 1 1 58 58 LEU C C 58 179.134 179.134 178.511 0.623 25790 3106 1 8 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.179 0.327 25790 3107 1 8 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.352 0.451 25790 3108 1 8 . 1 1 58 58 LEU H H 58 8.176 8.176 7.766 0.410 25790 3109 1 8 . 1 1 59 59 ALA N N 59 121.608 121.608 122.578 -0.970 25790 3110 1 8 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.908 0.257 25790 3111 1 8 . 1 1 59 59 ALA C C 59 180.497 180.497 179.746 0.751 25790 3112 1 8 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.943 -0.361 25790 3113 1 8 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.168 -0.115 25790 3114 1 8 . 1 1 59 59 ALA H H 59 7.833 7.833 8.077 -0.244 25790 3115 1 8 . 1 1 60 60 GLN N N 60 118.335 118.335 117.710 0.625 25790 3116 1 8 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.876 0.272 25790 3117 1 8 . 1 1 60 60 GLN C C 60 178.334 178.334 178.927 -0.593 25790 3118 1 8 . 1 1 60 60 GLN CA C 60 57.977 57.977 59.003 -1.026 25790 3119 1 8 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.551 -0.116 25790 3120 1 8 . 1 1 60 60 GLN H H 60 8.081 8.081 8.061 0.020 25790 3121 1 8 . 1 1 61 61 GLN N N 61 120.206 120.206 119.276 0.930 25790 3122 1 8 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.997 0.165 25790 3123 1 8 . 1 1 61 61 GLN C C 61 178.002 178.002 178.609 -0.607 25790 3124 1 8 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.842 -0.937 25790 3125 1 8 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.580 -0.001 25790 3126 1 8 . 1 1 61 61 GLN H H 61 8.111 8.111 7.536 0.575 25790 3127 1 8 . 1 1 62 62 GLN N N 62 118.980 118.980 119.234 -0.254 25790 3128 1 8 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.008 0.121 25790 3129 1 8 . 1 1 62 62 GLN C C 62 177.624 177.624 178.442 -0.818 25790 3130 1 8 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.641 -1.005 25790 3131 1 8 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.544 0.092 25790 3132 1 8 . 1 1 62 62 GLN H H 62 8.203 8.203 8.250 -0.047 25790 3133 1 8 . 1 1 63 63 ALA N N 63 122.712 122.712 121.071 1.641 25790 3134 1 8 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.025 0.181 25790 3135 1 8 . 1 1 63 63 ALA C C 63 178.922 178.922 178.502 0.420 25790 3136 1 8 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.737 -0.841 25790 3137 1 8 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.441 0.018 25790 3138 1 8 . 1 1 63 63 ALA H H 63 8.004 8.004 8.428 -0.424 25790 3139 1 8 . 1 1 64 64 ALA N N 64 120.813 120.813 120.181 0.632 25790 3140 1 8 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.209 0.023 25790 3141 1 8 . 1 1 64 64 ALA C C 64 178.732 178.732 178.695 0.037 25790 3142 1 8 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.660 -0.144 25790 3143 1 8 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.369 -0.739 25790 3144 1 8 . 1 1 64 64 ALA H H 64 7.837 7.837 7.560 0.277 25790 3145 1 8 . 1 1 65 65 LEU N N 65 119.196 119.196 118.966 0.230 25790 3146 1 8 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.164 0.093 25790 3147 1 8 . 1 1 65 65 LEU C C 65 178.038 178.038 177.868 0.170 25790 3148 1 8 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.152 -0.330 25790 3149 1 8 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.687 -0.423 25790 3150 1 8 . 1 1 65 65 LEU H H 65 7.765 7.765 7.794 -0.029 25790 3151 1 8 . 1 1 66 66 GLN N N 66 119.365 119.365 114.660 4.705 25790 3152 1 8 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.877 0.398 25790 3153 1 8 . 1 1 66 66 GLN C C 66 176.120 176.120 175.527 0.593 25790 3154 1 8 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.089 -1.022 25790 3155 1 8 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.439 2.693 25790 3156 1 8 . 1 1 66 66 GLN H H 66 7.967 7.967 8.337 -0.370 25790 3157 1 8 . 1 1 67 67 LYS N N 67 121.521 121.521 117.801 3.720 25790 3158 1 8 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.437 -0.128 25790 3159 1 8 . 1 1 67 67 LYS C C 67 176.437 176.437 175.172 1.265 25790 3160 1 8 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.422 -0.033 25790 3161 1 8 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.222 -0.181 25790 3162 1 8 . 1 1 67 67 LYS H H 67 8.053 8.053 8.082 -0.029 25790 3163 1 8 . 1 1 68 68 GLN N N 68 121.970 121.970 118.392 3.578 25790 3164 1 8 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.503 -0.164 25790 3165 1 8 . 1 1 68 68 GLN C C 68 175.120 175.120 174.283 0.837 25790 3166 1 8 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.703 0.297 25790 3167 1 8 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.447 0.051 25790 3168 1 8 . 1 1 68 68 GLN H H 68 8.314 8.314 8.355 -0.041 25790 3169 1 9 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.648 -0.201 25790 3170 1 9 . 1 1 2 2 GLN C C 2 176.144 176.144 175.782 0.362 25790 3171 1 9 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.685 0.524 25790 3172 1 9 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.765 -0.306 25790 3173 1 9 . 1 1 3 3 GLN N N 3 122.052 122.052 120.200 1.852 25790 3174 1 9 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.640 -0.317 25790 3175 1 9 . 1 1 3 3 GLN C C 3 176.988 176.988 176.358 0.630 25790 3176 1 9 . 1 1 3 3 GLN CA C 3 57.403 57.403 55.479 1.924 25790 3177 1 9 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.929 0.310 25790 3178 1 9 . 1 1 3 3 GLN H H 3 8.780 8.780 8.674 0.106 25790 3179 1 9 . 1 1 4 4 LYS N N 4 121.855 121.855 120.752 1.103 25790 3180 1 9 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.162 -0.158 25790 3181 1 9 . 1 1 4 4 LYS C C 4 177.638 177.638 178.625 -0.987 25790 3182 1 9 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.454 0.785 25790 3183 1 9 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.341 0.358 25790 3184 1 9 . 1 1 4 4 LYS H H 4 8.528 8.528 8.319 0.209 25790 3185 1 9 . 1 1 5 5 GLN N N 5 116.397 116.397 117.791 -1.394 25790 3186 1 9 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.027 -0.087 25790 3187 1 9 . 1 1 5 5 GLN C C 5 178.761 178.761 178.356 0.405 25790 3188 1 9 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.678 0.671 25790 3189 1 9 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.040 -0.090 25790 3190 1 9 . 1 1 5 5 GLN H H 5 8.223 8.223 8.461 -0.238 25790 3191 1 9 . 1 1 6 6 GLN N N 6 119.262 119.262 118.929 0.333 25790 3192 1 9 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.109 0.019 25790 3193 1 9 . 1 1 6 6 GLN C C 6 179.018 179.018 178.412 0.606 25790 3194 1 9 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.713 0.376 25790 3195 1 9 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.369 0.341 25790 3196 1 9 . 1 1 6 6 GLN H H 6 7.848 7.848 7.723 0.125 25790 3197 1 9 . 1 1 7 7 ILE N N 7 121.296 121.296 120.089 1.207 25790 3198 1 9 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.747 -0.164 25790 3199 1 9 . 1 1 7 7 ILE C C 7 177.833 177.833 177.996 -0.163 25790 3200 1 9 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.925 0.204 25790 3201 1 9 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.724 0.482 25790 3202 1 9 . 1 1 7 7 ILE H H 7 8.095 8.095 7.267 0.828 25790 3203 1 9 . 1 1 8 8 MET N N 8 117.603 117.603 118.763 -1.160 25790 3204 1 9 . 1 1 8 8 MET HA H 8 3.985 3.985 4.010 -0.025 25790 3205 1 9 . 1 1 8 8 MET C C 8 177.355 177.355 178.184 -0.829 25790 3206 1 9 . 1 1 8 8 MET CA C 8 59.932 59.932 59.379 0.553 25790 3207 1 9 . 1 1 8 8 MET CB C 8 32.721 32.721 32.062 0.659 25790 3208 1 9 . 1 1 8 8 MET H H 8 8.672 8.672 7.512 1.160 25790 3209 1 9 . 1 1 9 9 ALA N N 9 118.774 118.774 121.360 -2.586 25790 3210 1 9 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.972 0.074 25790 3211 1 9 . 1 1 9 9 ALA C C 9 180.546 180.546 179.279 1.267 25790 3212 1 9 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.169 0.216 25790 3213 1 9 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.848 0.050 25790 3214 1 9 . 1 1 9 9 ALA H H 9 7.795 7.795 7.971 -0.176 25790 3215 1 9 . 1 1 10 10 ALA N N 10 120.854 120.854 121.794 -0.940 25790 3216 1 9 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.013 0.192 25790 3217 1 9 . 1 1 10 10 ALA C C 10 181.200 181.200 179.622 1.578 25790 3218 1 9 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.762 0.250 25790 3219 1 9 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.396 0.865 25790 3220 1 9 . 1 1 10 10 ALA H H 10 7.438 7.438 7.590 -0.152 25790 3221 1 9 . 1 1 11 11 LEU N N 11 120.775 120.775 118.455 2.320 25790 3222 1 9 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.799 -0.051 25790 3223 1 9 . 1 1 11 11 LEU C C 11 179.041 179.041 179.117 -0.076 25790 3224 1 9 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.901 0.445 25790 3225 1 9 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.606 -1.629 25790 3226 1 9 . 1 1 11 11 LEU H H 11 8.757 8.757 7.834 0.923 25790 3227 1 9 . 1 1 12 12 ASN N N 12 116.313 116.313 117.416 -1.103 25790 3228 1 9 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.585 -0.021 25790 3229 1 9 . 1 1 12 12 ASN C C 12 178.900 178.900 177.585 1.315 25790 3230 1 9 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.403 -1.338 25790 3231 1 9 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.957 -0.964 25790 3232 1 9 . 1 1 12 12 ASN H H 12 8.850 8.850 8.502 0.348 25790 3233 1 9 . 1 1 13 13 SER N N 13 114.747 114.747 114.846 -0.099 25790 3234 1 9 . 1 1 13 13 SER HA H 13 4.370 4.370 4.258 0.112 25790 3235 1 9 . 1 1 13 13 SER C C 13 176.515 176.515 176.656 -0.141 25790 3236 1 9 . 1 1 13 13 SER CA C 13 61.141 61.141 61.414 -0.273 25790 3237 1 9 . 1 1 13 13 SER CB C 13 63.044 63.044 62.995 0.049 25790 3238 1 9 . 1 1 13 13 SER H H 13 7.672 7.672 8.019 -0.347 25790 3239 1 9 . 1 1 14 14 GLN N N 14 119.954 119.954 119.499 0.455 25790 3240 1 9 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.200 0.018 25790 3241 1 9 . 1 1 14 14 GLN C C 14 178.208 178.208 177.499 0.709 25790 3242 1 9 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.047 -0.298 25790 3243 1 9 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.031 -0.331 25790 3244 1 9 . 1 1 14 14 GLN H H 14 7.573 7.573 7.594 -0.021 25790 3245 1 9 . 1 1 15 15 THR N N 15 107.493 107.493 108.866 -1.373 25790 3246 1 9 . 1 1 15 15 THR HA H 15 3.899 3.899 4.295 -0.396 25790 3247 1 9 . 1 1 15 15 THR C C 15 174.683 174.683 174.386 0.297 25790 3248 1 9 . 1 1 15 15 THR CA C 15 61.551 61.551 61.224 0.327 25790 3249 1 9 . 1 1 15 15 THR CB C 15 69.226 69.226 68.280 0.946 25790 3250 1 9 . 1 1 15 15 THR H H 15 7.741 7.741 7.660 0.081 25790 3251 1 9 . 1 1 16 16 ALA N N 16 124.034 124.034 125.891 -1.857 25790 3252 1 9 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.020 0.115 25790 3253 1 9 . 1 1 16 16 ALA C C 16 179.899 179.899 179.109 0.790 25790 3254 1 9 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.592 0.615 25790 3255 1 9 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.217 0.507 25790 3256 1 9 . 1 1 16 16 ALA H H 16 6.873 6.873 7.211 -0.338 25790 3257 1 9 . 1 1 17 17 VAL N N 17 117.150 117.150 118.789 -1.639 25790 3258 1 9 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.933 -0.219 25790 3259 1 9 . 1 1 17 17 VAL C C 17 178.537 178.537 177.326 1.211 25790 3260 1 9 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.221 2.287 25790 3261 1 9 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.426 0.267 25790 3262 1 9 . 1 1 17 17 VAL H H 17 8.162 8.162 8.094 0.068 25790 3263 1 9 . 1 1 18 18 GLN N N 18 119.489 119.489 120.588 -1.099 25790 3264 1 9 . 1 1 18 18 GLN HA H 18 4.057 4.057 3.947 0.110 25790 3265 1 9 . 1 1 18 18 GLN C C 18 180.429 180.429 178.560 1.869 25790 3266 1 9 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.201 0.498 25790 3267 1 9 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.304 0.882 25790 3268 1 9 . 1 1 18 18 GLN H H 18 8.451 8.451 8.203 0.248 25790 3269 1 9 . 1 1 19 19 PHE N N 19 117.940 117.940 117.838 0.102 25790 3270 1 9 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.415 0.415 25790 3271 1 9 . 1 1 19 19 PHE C C 19 177.858 177.858 177.969 -0.111 25790 3272 1 9 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.932 -1.903 25790 3273 1 9 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.444 -2.539 25790 3274 1 9 . 1 1 19 19 PHE H H 19 8.924 8.924 8.321 0.603 25790 3275 1 9 . 1 1 20 20 GLN N N 20 120.297 120.297 120.756 -0.459 25790 3276 1 9 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.919 0.187 25790 3277 1 9 . 1 1 20 20 GLN C C 20 178.986 178.986 178.305 0.681 25790 3278 1 9 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.873 -0.310 25790 3279 1 9 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.523 -0.628 25790 3280 1 9 . 1 1 20 20 GLN H H 20 8.264 8.264 7.963 0.301 25790 3281 1 9 . 1 1 21 21 GLN N N 21 118.595 118.595 118.302 0.293 25790 3282 1 9 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.035 0.047 25790 3283 1 9 . 1 1 21 21 GLN C C 21 178.806 178.806 178.614 0.192 25790 3284 1 9 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.798 0.372 25790 3285 1 9 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.771 -0.575 25790 3286 1 9 . 1 1 21 21 GLN H H 21 8.527 8.527 8.103 0.424 25790 3287 1 9 . 1 1 22 22 TYR N N 22 119.594 119.594 121.133 -1.539 25790 3288 1 9 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.069 0.178 25790 3289 1 9 . 1 1 22 22 TYR C C 22 177.789 177.789 177.018 0.771 25790 3290 1 9 . 1 1 22 22 TYR CA C 22 61.712 61.712 61.023 0.689 25790 3291 1 9 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.529 0.195 25790 3292 1 9 . 1 1 22 22 TYR H H 22 7.843 7.843 7.650 0.193 25790 3293 1 9 . 1 1 23 23 ALA N N 23 120.663 120.663 120.537 0.126 25790 3294 1 9 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.751 0.106 25790 3295 1 9 . 1 1 23 23 ALA C C 23 179.319 179.319 179.083 0.236 25790 3296 1 9 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.799 0.790 25790 3297 1 9 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.068 0.414 25790 3298 1 9 . 1 1 23 23 ALA H H 23 8.612 8.612 8.719 -0.107 25790 3299 1 9 . 1 1 24 24 ALA N N 24 119.002 119.002 119.309 -0.307 25790 3300 1 9 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.168 -0.230 25790 3301 1 9 . 1 1 24 24 ALA C C 24 178.987 178.987 178.716 0.271 25790 3302 1 9 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.135 0.182 25790 3303 1 9 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.493 -0.602 25790 3304 1 9 . 1 1 24 24 ALA H H 24 8.168 8.168 7.940 0.228 25790 3305 1 9 . 1 1 25 25 GLN N N 25 115.599 115.599 115.751 -0.152 25790 3306 1 9 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.119 -0.115 25790 3307 1 9 . 1 1 25 25 GLN C C 25 177.818 177.818 176.851 0.967 25790 3308 1 9 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.716 -0.262 25790 3309 1 9 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.468 -0.013 25790 3310 1 9 . 1 1 25 25 GLN H H 25 7.300 7.300 7.468 -0.168 25790 3311 1 9 . 1 1 26 26 GLN N N 26 116.989 116.989 116.811 0.178 25790 3312 1 9 . 1 1 26 26 GLN HA H 26 3.704 3.704 4.014 -0.310 25790 3313 1 9 . 1 1 26 26 GLN C C 26 175.979 175.979 176.043 -0.064 25790 3314 1 9 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.458 0.330 25790 3315 1 9 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.438 -1.358 25790 3316 1 9 . 1 1 26 26 GLN H H 26 7.401 7.401 7.257 0.144 25790 3317 1 9 . 1 1 27 27 TYR N N 27 114.712 114.712 119.098 -4.386 25790 3318 1 9 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.954 0.124 25790 3319 1 9 . 1 1 27 27 TYR C C 27 172.931 172.931 173.901 -0.970 25790 3320 1 9 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.134 1.033 25790 3321 1 9 . 1 1 27 27 TYR CB C 27 39.660 39.660 37.751 1.909 25790 3322 1 9 . 1 1 27 27 TYR H H 27 7.675 7.675 8.216 -0.541 25790 3323 1 9 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.421 -0.059 25790 3324 1 9 . 1 1 28 28 PRO C C 28 179.333 179.333 177.917 1.416 25790 3325 1 9 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.944 0.450 25790 3326 1 9 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.572 -1.318 25790 3327 1 9 . 1 1 29 29 GLY N N 29 110.091 110.091 112.329 -2.238 25790 3328 1 9 . 1 1 29 29 GLY C C 29 173.218 173.218 174.643 -1.425 25790 3329 1 9 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.337 0.575 25790 3330 1 9 . 1 1 29 29 GLY H H 29 8.826 8.826 8.734 0.092 25790 3331 1 9 . 1 1 30 30 ASN N N 30 118.603 118.603 121.751 -3.148 25790 3332 1 9 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.014 -0.015 25790 3333 1 9 . 1 1 30 30 ASN C C 30 173.977 173.977 174.584 -0.607 25790 3334 1 9 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.604 -0.419 25790 3335 1 9 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.853 0.573 25790 3336 1 9 . 1 1 30 30 ASN H H 30 7.293 7.293 7.744 -0.451 25790 3337 1 9 . 1 1 31 31 TYR N N 31 125.240 125.240 126.779 -1.539 25790 3338 1 9 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.109 -0.211 25790 3339 1 9 . 1 1 31 31 TYR C C 31 177.343 177.343 176.456 0.887 25790 3340 1 9 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.362 -0.551 25790 3341 1 9 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.849 -0.492 25790 3342 1 9 . 1 1 31 31 TYR H H 31 8.509 8.509 7.999 0.510 25790 3343 1 9 . 1 1 32 32 GLU N N 32 118.993 118.993 117.313 1.680 25790 3344 1 9 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.597 0.303 25790 3345 1 9 . 1 1 32 32 GLU C C 32 179.549 179.549 178.740 0.809 25790 3346 1 9 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.263 0.849 25790 3347 1 9 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.079 1.089 25790 3348 1 9 . 1 1 32 32 GLU H H 32 8.714 8.714 8.733 -0.019 25790 3349 1 9 . 1 1 33 33 GLN N N 33 117.037 117.037 118.780 -1.743 25790 3350 1 9 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.979 -0.246 25790 3351 1 9 . 1 1 33 33 GLN C C 33 179.119 179.119 178.805 0.314 25790 3352 1 9 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.331 -0.629 25790 3353 1 9 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.558 0.068 25790 3354 1 9 . 1 1 33 33 GLN H H 33 7.536 7.536 7.775 -0.239 25790 3355 1 9 . 1 1 34 34 GLN N N 34 117.723 117.723 119.568 -1.845 25790 3356 1 9 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.106 -0.295 25790 3357 1 9 . 1 1 34 34 GLN C C 34 177.634 177.634 178.678 -1.044 25790 3358 1 9 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.516 0.649 25790 3359 1 9 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.494 -0.993 25790 3360 1 9 . 1 1 34 34 GLN H H 34 7.968 7.968 8.449 -0.481 25790 3361 1 9 . 1 1 35 35 GLN N N 35 115.293 115.293 118.467 -3.174 25790 3362 1 9 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.060 -0.269 25790 3363 1 9 . 1 1 35 35 GLN C C 35 178.757 178.757 178.615 0.142 25790 3364 1 9 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.205 0.405 25790 3365 1 9 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.217 -0.012 25790 3366 1 9 . 1 1 35 35 GLN H H 35 7.870 7.870 7.583 0.287 25790 3367 1 9 . 1 1 36 36 ILE N N 36 120.769 120.769 120.882 -0.113 25790 3368 1 9 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.676 -0.112 25790 3369 1 9 . 1 1 36 36 ILE C C 36 178.273 178.273 178.197 0.076 25790 3370 1 9 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.110 0.126 25790 3371 1 9 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.746 0.627 25790 3372 1 9 . 1 1 36 36 ILE H H 36 7.503 7.503 7.650 -0.147 25790 3373 1 9 . 1 1 37 37 LEU N N 37 121.056 121.056 121.581 -0.525 25790 3374 1 9 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.070 0.239 25790 3375 1 9 . 1 1 37 37 LEU C C 37 178.348 178.348 178.199 0.149 25790 3376 1 9 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.004 -0.270 25790 3377 1 9 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.746 -0.230 25790 3378 1 9 . 1 1 37 37 LEU H H 37 7.678 7.678 8.112 -0.434 25790 3379 1 9 . 1 1 38 38 ILE N N 38 119.334 119.334 119.170 0.164 25790 3380 1 9 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.365 -0.024 25790 3381 1 9 . 1 1 38 38 ILE C C 38 177.371 177.371 177.628 -0.257 25790 3382 1 9 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.633 1.452 25790 3383 1 9 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.552 0.797 25790 3384 1 9 . 1 1 38 38 ILE H H 38 8.702 8.702 7.771 0.931 25790 3385 1 9 . 1 1 39 39 ARG N N 39 117.798 117.798 119.747 -1.949 25790 3386 1 9 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.055 0.160 25790 3387 1 9 . 1 1 39 39 ARG C C 39 179.555 179.555 178.538 1.017 25790 3388 1 9 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.836 -0.377 25790 3389 1 9 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.936 -0.184 25790 3390 1 9 . 1 1 39 39 ARG H H 39 7.739 7.739 8.113 -0.374 25790 3391 1 9 . 1 1 40 40 GLN N N 40 119.432 119.432 118.662 0.770 25790 3392 1 9 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.091 0.046 25790 3393 1 9 . 1 1 40 40 GLN C C 40 179.522 179.522 178.258 1.264 25790 3394 1 9 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.807 0.453 25790 3395 1 9 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.562 -0.204 25790 3396 1 9 . 1 1 40 40 GLN H H 40 7.811 7.811 7.470 0.341 25790 3397 1 9 . 1 1 41 41 LEU N N 41 121.592 121.592 120.112 1.480 25790 3398 1 9 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.705 -0.018 25790 3399 1 9 . 1 1 41 41 LEU C C 41 178.974 178.974 178.946 0.028 25790 3400 1 9 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.482 0.481 25790 3401 1 9 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.858 -1.006 25790 3402 1 9 . 1 1 41 41 LEU H H 41 8.648 8.648 8.001 0.647 25790 3403 1 9 . 1 1 42 42 GLN N N 42 119.054 119.054 117.961 1.093 25790 3404 1 9 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.100 0.444 25790 3405 1 9 . 1 1 42 42 GLN C C 42 180.176 180.176 178.546 1.630 25790 3406 1 9 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.530 -0.296 25790 3407 1 9 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.582 -0.662 25790 3408 1 9 . 1 1 42 42 GLN H H 42 8.641 8.641 8.491 0.150 25790 3409 1 9 . 1 1 43 43 GLU N N 43 121.517 121.517 120.180 1.337 25790 3410 1 9 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.064 0.172 25790 3411 1 9 . 1 1 43 43 GLU C C 43 179.721 179.721 179.101 0.620 25790 3412 1 9 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.536 0.131 25790 3413 1 9 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.474 -0.216 25790 3414 1 9 . 1 1 43 43 GLU H H 43 8.111 8.111 7.651 0.460 25790 3415 1 9 . 1 1 44 44 GLN N N 44 119.240 119.240 118.014 1.226 25790 3416 1 9 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.064 0.052 25790 3417 1 9 . 1 1 44 44 GLN C C 44 179.012 179.012 179.014 -0.002 25790 3418 1 9 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.847 0.302 25790 3419 1 9 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.420 0.434 25790 3420 1 9 . 1 1 44 44 GLN H H 44 8.372 8.372 7.844 0.528 25790 3421 1 9 . 1 1 45 45 HIS N N 45 121.705 121.705 120.332 1.373 25790 3422 1 9 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.415 -0.135 25790 3423 1 9 . 1 1 45 45 HIS C C 45 176.395 176.395 177.741 -1.346 25790 3424 1 9 . 1 1 45 45 HIS CA C 45 60.359 60.359 60.200 0.159 25790 3425 1 9 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.154 2.171 25790 3426 1 9 . 1 1 45 45 HIS H H 45 9.472 9.472 8.334 1.138 25790 3427 1 9 . 1 1 46 46 TYR N N 46 119.039 119.039 121.090 -2.051 25790 3428 1 9 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.242 -0.393 25790 3429 1 9 . 1 1 46 46 TYR C C 46 176.664 176.664 177.898 -1.234 25790 3430 1 9 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.799 0.452 25790 3431 1 9 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.520 -0.848 25790 3432 1 9 . 1 1 46 46 TYR H H 46 8.253 8.253 8.503 -0.250 25790 3433 1 9 . 1 1 47 47 GLN N N 47 116.407 116.407 117.994 -1.587 25790 3434 1 9 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.868 -0.084 25790 3435 1 9 . 1 1 47 47 GLN C C 47 179.048 179.048 178.374 0.674 25790 3436 1 9 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.248 -0.299 25790 3437 1 9 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.076 0.105 25790 3438 1 9 . 1 1 47 47 GLN H H 47 7.814 7.814 8.640 -0.826 25790 3439 1 9 . 1 1 48 48 GLN N N 48 119.803 119.803 120.383 -0.580 25790 3440 1 9 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.016 -0.039 25790 3441 1 9 . 1 1 48 48 GLN C C 48 177.741 177.741 178.339 -0.598 25790 3442 1 9 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.963 -0.649 25790 3443 1 9 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.547 -0.219 25790 3444 1 9 . 1 1 48 48 GLN H H 48 8.645 8.645 8.020 0.625 25790 3445 1 9 . 1 1 49 49 TYR N N 49 121.342 121.342 120.648 0.694 25790 3446 1 9 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.120 -0.480 25790 3447 1 9 . 1 1 49 49 TYR C C 49 176.021 176.021 177.594 -1.573 25790 3448 1 9 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.726 0.383 25790 3449 1 9 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.326 0.581 25790 3450 1 9 . 1 1 49 49 TYR H H 49 9.105 9.105 7.947 1.158 25790 3451 1 9 . 1 1 50 50 MET N N 50 115.522 115.522 118.422 -2.900 25790 3452 1 9 . 1 1 50 50 MET HA H 50 4.040 4.040 3.833 0.207 25790 3453 1 9 . 1 1 50 50 MET C C 50 179.841 179.841 178.110 1.731 25790 3454 1 9 . 1 1 50 50 MET CA C 50 56.623 56.623 58.406 -1.782 25790 3455 1 9 . 1 1 50 50 MET CB C 50 30.099 30.099 32.407 -2.308 25790 3456 1 9 . 1 1 50 50 MET H H 50 8.060 8.060 8.441 -0.381 25790 3457 1 9 . 1 1 51 51 GLN N N 51 118.942 118.942 118.831 0.111 25790 3458 1 9 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.941 0.124 25790 3459 1 9 . 1 1 51 51 GLN C C 51 178.707 178.707 178.309 0.398 25790 3460 1 9 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.260 -0.319 25790 3461 1 9 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.588 -0.099 25790 3462 1 9 . 1 1 51 51 GLN H H 51 7.830 7.830 8.420 -0.590 25790 3463 1 9 . 1 1 52 52 GLN N N 52 119.210 119.210 119.937 -0.727 25790 3464 1 9 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.060 -0.003 25790 3465 1 9 . 1 1 52 52 GLN C C 52 178.738 178.738 178.466 0.272 25790 3466 1 9 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.907 -0.158 25790 3467 1 9 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.688 -0.285 25790 3468 1 9 . 1 1 52 52 GLN H H 52 8.187 8.187 7.835 0.352 25790 3469 1 9 . 1 1 53 53 LEU N N 53 121.233 121.233 120.101 1.132 25790 3470 1 9 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.812 0.029 25790 3471 1 9 . 1 1 53 53 LEU C C 53 179.191 179.191 178.755 0.436 25790 3472 1 9 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.584 0.161 25790 3473 1 9 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.560 0.306 25790 3474 1 9 . 1 1 53 53 LEU H H 53 8.441 8.441 7.898 0.543 25790 3475 1 9 . 1 1 54 54 TYR N N 54 118.505 118.505 119.648 -1.143 25790 3476 1 9 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.966 0.352 25790 3477 1 9 . 1 1 54 54 TYR C C 54 177.535 177.535 177.216 0.319 25790 3478 1 9 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.096 -1.619 25790 3479 1 9 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.910 -0.124 25790 3480 1 9 . 1 1 54 54 TYR H H 54 7.819 7.819 8.369 -0.550 25790 3481 1 9 . 1 1 55 55 GLN N N 55 117.299 117.299 117.969 -0.670 25790 3482 1 9 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.518 0.381 25790 3483 1 9 . 1 1 55 55 GLN C C 55 179.041 179.041 178.213 0.828 25790 3484 1 9 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.527 0.182 25790 3485 1 9 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.479 -0.264 25790 3486 1 9 . 1 1 55 55 GLN H H 55 7.735 7.735 7.500 0.235 25790 3487 1 9 . 1 1 56 56 VAL N N 56 120.879 120.879 120.944 -0.065 25790 3488 1 9 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.480 0.312 25790 3489 1 9 . 1 1 56 56 VAL C C 56 178.262 178.262 177.937 0.325 25790 3490 1 9 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.568 -0.626 25790 3491 1 9 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.232 0.647 25790 3492 1 9 . 1 1 56 56 VAL H H 56 8.014 8.014 8.055 -0.041 25790 3493 1 9 . 1 1 57 57 GLN N N 57 120.513 120.513 119.220 1.293 25790 3494 1 9 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.949 0.111 25790 3495 1 9 . 1 1 57 57 GLN C C 57 178.772 178.772 178.794 -0.022 25790 3496 1 9 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.484 -0.868 25790 3497 1 9 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.597 -0.612 25790 3498 1 9 . 1 1 57 57 GLN H H 57 8.103 8.103 8.103 0.000 25790 3499 1 9 . 1 1 58 58 LEU N N 58 121.244 121.244 119.067 2.177 25790 3500 1 9 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.979 0.026 25790 3501 1 9 . 1 1 58 58 LEU C C 58 179.134 179.134 178.767 0.367 25790 3502 1 9 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.226 0.280 25790 3503 1 9 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.295 0.508 25790 3504 1 9 . 1 1 58 58 LEU H H 58 8.176 8.176 7.606 0.570 25790 3505 1 9 . 1 1 59 59 ALA N N 59 121.608 121.608 122.359 -0.751 25790 3506 1 9 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.882 0.283 25790 3507 1 9 . 1 1 59 59 ALA C C 59 180.497 180.497 179.815 0.682 25790 3508 1 9 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.288 -0.706 25790 3509 1 9 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.963 0.090 25790 3510 1 9 . 1 1 59 59 ALA H H 59 7.833 7.833 8.154 -0.321 25790 3511 1 9 . 1 1 60 60 GLN N N 60 118.335 118.335 117.628 0.707 25790 3512 1 9 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.908 0.240 25790 3513 1 9 . 1 1 60 60 GLN C C 60 178.334 178.334 178.818 -0.484 25790 3514 1 9 . 1 1 60 60 GLN CA C 60 57.977 57.977 59.284 -1.307 25790 3515 1 9 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.522 -0.087 25790 3516 1 9 . 1 1 60 60 GLN H H 60 8.081 8.081 8.030 0.051 25790 3517 1 9 . 1 1 61 61 GLN N N 61 120.206 120.206 118.998 1.208 25790 3518 1 9 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.963 0.199 25790 3519 1 9 . 1 1 61 61 GLN C C 61 178.002 178.002 178.408 -0.406 25790 3520 1 9 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.103 -1.198 25790 3521 1 9 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.680 -0.101 25790 3522 1 9 . 1 1 61 61 GLN H H 61 8.111 8.111 7.983 0.128 25790 3523 1 9 . 1 1 62 62 GLN N N 62 118.980 118.980 118.551 0.429 25790 3524 1 9 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.092 0.037 25790 3525 1 9 . 1 1 62 62 GLN C C 62 177.624 177.624 178.278 -0.654 25790 3526 1 9 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.477 -0.841 25790 3527 1 9 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.165 0.471 25790 3528 1 9 . 1 1 62 62 GLN H H 62 8.203 8.203 8.399 -0.196 25790 3529 1 9 . 1 1 63 63 ALA N N 63 122.712 122.712 123.052 -0.340 25790 3530 1 9 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.033 0.173 25790 3531 1 9 . 1 1 63 63 ALA C C 63 178.922 178.922 178.898 0.024 25790 3532 1 9 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.453 -0.557 25790 3533 1 9 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.470 -0.011 25790 3534 1 9 . 1 1 63 63 ALA H H 63 8.004 8.004 8.193 -0.189 25790 3535 1 9 . 1 1 64 64 ALA N N 64 120.813 120.813 120.340 0.473 25790 3536 1 9 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.185 0.047 25790 3537 1 9 . 1 1 64 64 ALA C C 64 178.732 178.732 178.949 -0.217 25790 3538 1 9 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.781 -0.265 25790 3539 1 9 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.316 -0.686 25790 3540 1 9 . 1 1 64 64 ALA H H 64 7.837 7.837 7.601 0.236 25790 3541 1 9 . 1 1 65 65 LEU N N 65 119.196 119.196 117.623 1.573 25790 3542 1 9 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.203 0.054 25790 3543 1 9 . 1 1 65 65 LEU C C 65 178.038 178.038 177.080 0.958 25790 3544 1 9 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.392 0.430 25790 3545 1 9 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.701 -0.437 25790 3546 1 9 . 1 1 65 65 LEU H H 65 7.765 7.765 7.793 -0.028 25790 3547 1 9 . 1 1 66 66 GLN N N 66 119.365 119.365 115.722 3.643 25790 3548 1 9 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.947 0.328 25790 3549 1 9 . 1 1 66 66 GLN C C 66 176.120 176.120 176.403 -0.283 25790 3550 1 9 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.499 -0.432 25790 3551 1 9 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.126 3.006 25790 3552 1 9 . 1 1 66 66 GLN H H 66 7.967 7.967 8.028 -0.061 25790 3553 1 9 . 1 1 67 67 LYS N N 67 121.521 121.521 120.297 1.224 25790 3554 1 9 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.234 0.075 25790 3555 1 9 . 1 1 67 67 LYS C C 67 176.437 176.437 176.169 0.268 25790 3556 1 9 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.229 1.160 25790 3557 1 9 . 1 1 67 67 LYS CB C 67 33.041 33.041 29.936 3.105 25790 3558 1 9 . 1 1 67 67 LYS H H 67 8.053 8.053 8.449 -0.396 25790 3559 1 9 . 1 1 68 68 GLN N N 68 121.970 121.970 118.483 3.487 25790 3560 1 9 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.928 0.411 25790 3561 1 9 . 1 1 68 68 GLN C C 68 175.120 175.120 175.344 -0.224 25790 3562 1 9 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.309 -0.309 25790 3563 1 9 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.042 2.456 25790 3564 1 9 . 1 1 68 68 GLN H H 68 8.314 8.314 8.049 0.265 25790 3565 1 10 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.448 -0.001 25790 3566 1 10 . 1 1 2 2 GLN C C 2 176.144 176.144 175.662 0.482 25790 3567 1 10 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.748 0.461 25790 3568 1 10 . 1 1 2 2 GLN CB C 2 29.459 29.459 27.951 1.508 25790 3569 1 10 . 1 1 3 3 GLN N N 3 122.052 122.052 121.919 0.133 25790 3570 1 10 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.600 -0.277 25790 3571 1 10 . 1 1 3 3 GLN C C 3 176.988 176.988 176.379 0.609 25790 3572 1 10 . 1 1 3 3 GLN CA C 3 57.403 57.403 55.463 1.940 25790 3573 1 10 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.660 0.579 25790 3574 1 10 . 1 1 3 3 GLN H H 3 8.780 8.780 8.434 0.346 25790 3575 1 10 . 1 1 4 4 LYS N N 4 121.855 121.855 120.795 1.060 25790 3576 1 10 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.090 -0.086 25790 3577 1 10 . 1 1 4 4 LYS C C 4 177.638 177.638 178.633 -0.995 25790 3578 1 10 . 1 1 4 4 LYS CA C 4 60.239 60.239 60.427 -0.188 25790 3579 1 10 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.313 0.386 25790 3580 1 10 . 1 1 4 4 LYS H H 4 8.528 8.528 8.295 0.233 25790 3581 1 10 . 1 1 5 5 GLN N N 5 116.397 116.397 116.901 -0.504 25790 3582 1 10 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.037 -0.096 25790 3583 1 10 . 1 1 5 5 GLN C C 5 178.761 178.761 178.375 0.386 25790 3584 1 10 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.384 0.965 25790 3585 1 10 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.221 -0.271 25790 3586 1 10 . 1 1 5 5 GLN H H 5 8.223 8.223 8.542 -0.319 25790 3587 1 10 . 1 1 6 6 GLN N N 6 119.262 119.262 119.630 -0.368 25790 3588 1 10 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.070 0.058 25790 3589 1 10 . 1 1 6 6 GLN C C 6 179.018 179.018 178.527 0.491 25790 3590 1 10 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.857 0.232 25790 3591 1 10 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.619 0.091 25790 3592 1 10 . 1 1 6 6 GLN H H 6 7.848 7.848 7.605 0.243 25790 3593 1 10 . 1 1 7 7 ILE N N 7 121.296 121.296 120.485 0.811 25790 3594 1 10 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.682 -0.099 25790 3595 1 10 . 1 1 7 7 ILE C C 7 177.833 177.833 177.903 -0.070 25790 3596 1 10 . 1 1 7 7 ILE CA C 7 65.129 65.129 65.549 -0.420 25790 3597 1 10 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.899 0.307 25790 3598 1 10 . 1 1 7 7 ILE H H 7 8.095 8.095 7.508 0.587 25790 3599 1 10 . 1 1 8 8 MET N N 8 117.603 117.603 118.121 -0.518 25790 3600 1 10 . 1 1 8 8 MET HA H 8 3.985 3.985 3.924 0.061 25790 3601 1 10 . 1 1 8 8 MET C C 8 177.355 177.355 178.254 -0.899 25790 3602 1 10 . 1 1 8 8 MET CA C 8 59.932 59.932 58.885 1.047 25790 3603 1 10 . 1 1 8 8 MET CB C 8 32.721 32.721 31.991 0.730 25790 3604 1 10 . 1 1 8 8 MET H H 8 8.672 8.672 7.519 1.153 25790 3605 1 10 . 1 1 9 9 ALA N N 9 118.774 118.774 122.057 -3.283 25790 3606 1 10 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.039 0.007 25790 3607 1 10 . 1 1 9 9 ALA C C 9 180.546 180.546 179.184 1.362 25790 3608 1 10 . 1 1 9 9 ALA CA C 9 55.385 55.385 54.979 0.406 25790 3609 1 10 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.888 0.010 25790 3610 1 10 . 1 1 9 9 ALA H H 9 7.795 7.795 8.027 -0.232 25790 3611 1 10 . 1 1 10 10 ALA N N 10 120.854 120.854 121.786 -0.932 25790 3612 1 10 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.038 0.167 25790 3613 1 10 . 1 1 10 10 ALA C C 10 181.200 181.200 179.608 1.592 25790 3614 1 10 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.911 0.101 25790 3615 1 10 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.230 1.031 25790 3616 1 10 . 1 1 10 10 ALA H H 10 7.438 7.438 7.749 -0.311 25790 3617 1 10 . 1 1 11 11 LEU N N 11 120.775 120.775 118.801 1.974 25790 3618 1 10 . 1 1 11 11 LEU HA H 11 3.748 3.748 4.056 -0.308 25790 3619 1 10 . 1 1 11 11 LEU C C 11 179.041 179.041 179.257 -0.216 25790 3620 1 10 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.348 0.998 25790 3621 1 10 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.244 -1.267 25790 3622 1 10 . 1 1 11 11 LEU H H 11 8.757 8.757 8.136 0.621 25790 3623 1 10 . 1 1 12 12 ASN N N 12 116.313 116.313 118.317 -2.004 25790 3624 1 10 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.377 0.187 25790 3625 1 10 . 1 1 12 12 ASN C C 12 178.900 178.900 177.408 1.492 25790 3626 1 10 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.616 -2.551 25790 3627 1 10 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.453 -1.460 25790 3628 1 10 . 1 1 12 12 ASN H H 12 8.850 8.850 8.147 0.703 25790 3629 1 10 . 1 1 13 13 SER N N 13 114.747 114.747 115.809 -1.062 25790 3630 1 10 . 1 1 13 13 SER HA H 13 4.370 4.370 4.158 0.212 25790 3631 1 10 . 1 1 13 13 SER C C 13 176.515 176.515 177.367 -0.852 25790 3632 1 10 . 1 1 13 13 SER CA C 13 61.141 61.141 61.043 0.098 25790 3633 1 10 . 1 1 13 13 SER CB C 13 63.044 63.044 63.041 0.003 25790 3634 1 10 . 1 1 13 13 SER H H 13 7.672 7.672 7.673 -0.001 25790 3635 1 10 . 1 1 14 14 GLN N N 14 119.954 119.954 119.816 0.138 25790 3636 1 10 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.084 0.134 25790 3637 1 10 . 1 1 14 14 GLN C C 14 178.208 178.208 177.526 0.682 25790 3638 1 10 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.283 -0.534 25790 3639 1 10 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.209 -0.509 25790 3640 1 10 . 1 1 14 14 GLN H H 14 7.573 7.573 7.799 -0.226 25790 3641 1 10 . 1 1 15 15 THR N N 15 107.493 107.493 105.925 1.568 25790 3642 1 10 . 1 1 15 15 THR HA H 15 3.899 3.899 4.440 -0.541 25790 3643 1 10 . 1 1 15 15 THR C C 15 174.683 174.683 174.934 -0.251 25790 3644 1 10 . 1 1 15 15 THR CA C 15 61.551 61.551 60.501 1.050 25790 3645 1 10 . 1 1 15 15 THR CB C 15 69.226 69.226 69.396 -0.170 25790 3646 1 10 . 1 1 15 15 THR H H 15 7.741 7.741 7.561 0.180 25790 3647 1 10 . 1 1 16 16 ALA N N 16 124.034 124.034 126.669 -2.635 25790 3648 1 10 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.989 0.146 25790 3649 1 10 . 1 1 16 16 ALA C C 16 179.899 179.899 178.490 1.409 25790 3650 1 10 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.718 0.489 25790 3651 1 10 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.898 0.826 25790 3652 1 10 . 1 1 16 16 ALA H H 16 6.873 6.873 7.668 -0.795 25790 3653 1 10 . 1 1 17 17 VAL N N 17 117.150 117.150 119.114 -1.964 25790 3654 1 10 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.783 -0.069 25790 3655 1 10 . 1 1 17 17 VAL C C 17 178.537 178.537 177.309 1.228 25790 3656 1 10 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.637 1.871 25790 3657 1 10 . 1 1 17 17 VAL CB C 17 31.693 31.693 30.929 0.764 25790 3658 1 10 . 1 1 17 17 VAL H H 17 8.162 8.162 8.434 -0.272 25790 3659 1 10 . 1 1 18 18 GLN N N 18 119.489 119.489 120.787 -1.298 25790 3660 1 10 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.078 -0.021 25790 3661 1 10 . 1 1 18 18 GLN C C 18 180.429 180.429 178.537 1.892 25790 3662 1 10 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.426 0.273 25790 3663 1 10 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.527 0.659 25790 3664 1 10 . 1 1 18 18 GLN H H 18 8.451 8.451 8.131 0.320 25790 3665 1 10 . 1 1 19 19 PHE N N 19 117.940 117.940 116.920 1.020 25790 3666 1 10 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.661 0.169 25790 3667 1 10 . 1 1 19 19 PHE C C 19 177.858 177.858 178.034 -0.176 25790 3668 1 10 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.379 -0.350 25790 3669 1 10 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.398 -2.493 25790 3670 1 10 . 1 1 19 19 PHE H H 19 8.924 8.924 8.678 0.246 25790 3671 1 10 . 1 1 20 20 GLN N N 20 120.297 120.297 120.920 -0.623 25790 3672 1 10 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.039 0.067 25790 3673 1 10 . 1 1 20 20 GLN C C 20 178.986 178.986 178.357 0.629 25790 3674 1 10 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.754 -0.191 25790 3675 1 10 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.309 -0.414 25790 3676 1 10 . 1 1 20 20 GLN H H 20 8.264 8.264 8.043 0.221 25790 3677 1 10 . 1 1 21 21 GLN N N 21 118.595 118.595 118.109 0.486 25790 3678 1 10 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.080 0.002 25790 3679 1 10 . 1 1 21 21 GLN C C 21 178.806 178.806 178.548 0.258 25790 3680 1 10 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.681 0.489 25790 3681 1 10 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.475 -0.279 25790 3682 1 10 . 1 1 21 21 GLN H H 21 8.527 8.527 8.253 0.274 25790 3683 1 10 . 1 1 22 22 TYR N N 22 119.594 119.594 121.593 -1.999 25790 3684 1 10 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.174 0.073 25790 3685 1 10 . 1 1 22 22 TYR C C 22 177.789 177.789 177.331 0.458 25790 3686 1 10 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.892 0.821 25790 3687 1 10 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.439 0.285 25790 3688 1 10 . 1 1 22 22 TYR H H 22 7.843 7.843 7.570 0.273 25790 3689 1 10 . 1 1 23 23 ALA N N 23 120.663 120.663 120.904 -0.241 25790 3690 1 10 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.877 -0.020 25790 3691 1 10 . 1 1 23 23 ALA C C 23 179.319 179.319 178.745 0.574 25790 3692 1 10 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.751 0.838 25790 3693 1 10 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.400 0.082 25790 3694 1 10 . 1 1 23 23 ALA H H 23 8.612 8.612 8.601 0.011 25790 3695 1 10 . 1 1 24 24 ALA N N 24 119.002 119.002 119.811 -0.809 25790 3696 1 10 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.174 -0.236 25790 3697 1 10 . 1 1 24 24 ALA C C 24 178.987 178.987 178.408 0.579 25790 3698 1 10 . 1 1 24 24 ALA CA C 24 54.317 54.317 53.971 0.346 25790 3699 1 10 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.428 -0.537 25790 3700 1 10 . 1 1 24 24 ALA H H 24 8.168 8.168 7.992 0.176 25790 3701 1 10 . 1 1 25 25 GLN N N 25 115.599 115.599 116.029 -0.430 25790 3702 1 10 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.047 -0.043 25790 3703 1 10 . 1 1 25 25 GLN C C 25 177.818 177.818 177.113 0.705 25790 3704 1 10 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.841 -0.387 25790 3705 1 10 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.582 -0.127 25790 3706 1 10 . 1 1 25 25 GLN H H 25 7.300 7.300 7.520 -0.220 25790 3707 1 10 . 1 1 26 26 GLN N N 26 116.989 116.989 116.547 0.442 25790 3708 1 10 . 1 1 26 26 GLN HA H 26 3.704 3.704 4.021 -0.317 25790 3709 1 10 . 1 1 26 26 GLN C C 26 175.979 175.979 176.038 -0.059 25790 3710 1 10 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.666 0.122 25790 3711 1 10 . 1 1 26 26 GLN CB C 26 29.080 29.080 31.160 -2.080 25790 3712 1 10 . 1 1 26 26 GLN H H 26 7.401 7.401 7.305 0.096 25790 3713 1 10 . 1 1 27 27 TYR N N 27 114.712 114.712 118.434 -3.722 25790 3714 1 10 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.971 0.107 25790 3715 1 10 . 1 1 27 27 TYR C C 27 172.931 172.931 173.624 -0.693 25790 3716 1 10 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.398 0.769 25790 3717 1 10 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.312 1.348 25790 3718 1 10 . 1 1 27 27 TYR H H 27 7.675 7.675 8.290 -0.615 25790 3719 1 10 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.378 -0.016 25790 3720 1 10 . 1 1 28 28 PRO C C 28 179.333 179.333 177.881 1.452 25790 3721 1 10 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.016 0.377 25790 3722 1 10 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.354 -1.100 25790 3723 1 10 . 1 1 29 29 GLY N N 29 110.091 110.091 113.116 -3.025 25790 3724 1 10 . 1 1 29 29 GLY C C 29 173.218 173.218 174.461 -1.243 25790 3725 1 10 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.240 0.672 25790 3726 1 10 . 1 1 29 29 GLY H H 29 8.826 8.826 8.719 0.107 25790 3727 1 10 . 1 1 30 30 ASN N N 30 118.603 118.603 121.552 -2.949 25790 3728 1 10 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.079 -0.080 25790 3729 1 10 . 1 1 30 30 ASN C C 30 173.977 173.977 174.687 -0.710 25790 3730 1 10 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.656 -0.471 25790 3731 1 10 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.349 0.077 25790 3732 1 10 . 1 1 30 30 ASN H H 30 7.293 7.293 7.792 -0.499 25790 3733 1 10 . 1 1 31 31 TYR N N 31 125.240 125.240 126.184 -0.944 25790 3734 1 10 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.113 -0.215 25790 3735 1 10 . 1 1 31 31 TYR C C 31 177.343 177.343 176.390 0.953 25790 3736 1 10 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.422 -0.611 25790 3737 1 10 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.861 -0.504 25790 3738 1 10 . 1 1 31 31 TYR H H 31 8.509 8.509 8.183 0.326 25790 3739 1 10 . 1 1 32 32 GLU N N 32 118.993 118.993 116.814 2.179 25790 3740 1 10 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.638 0.262 25790 3741 1 10 . 1 1 32 32 GLU C C 32 179.549 179.549 178.474 1.075 25790 3742 1 10 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.386 0.726 25790 3743 1 10 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.987 1.181 25790 3744 1 10 . 1 1 32 32 GLU H H 32 8.714 8.714 8.714 0.000 25790 3745 1 10 . 1 1 33 33 GLN N N 33 117.037 117.037 118.562 -1.525 25790 3746 1 10 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.882 -0.149 25790 3747 1 10 . 1 1 33 33 GLN C C 33 179.119 179.119 178.640 0.479 25790 3748 1 10 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.599 -0.896 25790 3749 1 10 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.638 -0.012 25790 3750 1 10 . 1 1 33 33 GLN H H 33 7.536 7.536 8.214 -0.678 25790 3751 1 10 . 1 1 34 34 GLN N N 34 117.723 117.723 119.364 -1.641 25790 3752 1 10 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.139 -0.328 25790 3753 1 10 . 1 1 34 34 GLN C C 34 177.634 177.634 178.627 -0.993 25790 3754 1 10 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.570 0.595 25790 3755 1 10 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.485 -0.984 25790 3756 1 10 . 1 1 34 34 GLN H H 34 7.968 7.968 8.475 -0.507 25790 3757 1 10 . 1 1 35 35 GLN N N 35 115.293 115.293 118.089 -2.796 25790 3758 1 10 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.073 -0.282 25790 3759 1 10 . 1 1 35 35 GLN C C 35 178.757 178.757 178.624 0.133 25790 3760 1 10 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.076 0.534 25790 3761 1 10 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.308 -0.103 25790 3762 1 10 . 1 1 35 35 GLN H H 35 7.870 7.870 7.545 0.325 25790 3763 1 10 . 1 1 36 36 ILE N N 36 120.769 120.769 120.960 -0.191 25790 3764 1 10 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.663 -0.099 25790 3765 1 10 . 1 1 36 36 ILE C C 36 178.273 178.273 178.218 0.055 25790 3766 1 10 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.171 0.065 25790 3767 1 10 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.729 0.644 25790 3768 1 10 . 1 1 36 36 ILE H H 36 7.503 7.503 7.708 -0.205 25790 3769 1 10 . 1 1 37 37 LEU N N 37 121.056 121.056 121.439 -0.383 25790 3770 1 10 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.111 0.198 25790 3771 1 10 . 1 1 37 37 LEU C C 37 178.348 178.348 178.284 0.064 25790 3772 1 10 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.955 -0.221 25790 3773 1 10 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.859 -0.343 25790 3774 1 10 . 1 1 37 37 LEU H H 37 7.678 7.678 8.113 -0.434 25790 3775 1 10 . 1 1 38 38 ILE N N 38 119.334 119.334 119.256 0.078 25790 3776 1 10 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.546 -0.205 25790 3777 1 10 . 1 1 38 38 ILE C C 38 177.371 177.371 178.081 -0.710 25790 3778 1 10 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.731 1.353 25790 3779 1 10 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.638 0.711 25790 3780 1 10 . 1 1 38 38 ILE H H 38 8.702 8.702 8.218 0.484 25790 3781 1 10 . 1 1 39 39 ARG N N 39 117.798 117.798 118.843 -1.045 25790 3782 1 10 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.039 0.176 25790 3783 1 10 . 1 1 39 39 ARG C C 39 179.555 179.555 178.959 0.596 25790 3784 1 10 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.789 -0.330 25790 3785 1 10 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.839 -0.087 25790 3786 1 10 . 1 1 39 39 ARG H H 39 7.739 7.739 8.003 -0.264 25790 3787 1 10 . 1 1 40 40 GLN N N 40 119.432 119.432 119.686 -0.254 25790 3788 1 10 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.085 0.052 25790 3789 1 10 . 1 1 40 40 GLN C C 40 179.522 179.522 178.147 1.375 25790 3790 1 10 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.102 0.158 25790 3791 1 10 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.455 -0.097 25790 3792 1 10 . 1 1 40 40 GLN H H 40 7.811 7.811 7.632 0.179 25790 3793 1 10 . 1 1 41 41 LEU N N 41 121.592 121.592 119.817 1.775 25790 3794 1 10 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.784 -0.097 25790 3795 1 10 . 1 1 41 41 LEU C C 41 178.974 178.974 179.385 -0.411 25790 3796 1 10 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.703 0.260 25790 3797 1 10 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.203 -1.351 25790 3798 1 10 . 1 1 41 41 LEU H H 41 8.648 8.648 7.831 0.817 25790 3799 1 10 . 1 1 42 42 GLN N N 42 119.054 119.054 117.715 1.339 25790 3800 1 10 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.192 0.352 25790 3801 1 10 . 1 1 42 42 GLN C C 42 180.176 180.176 178.590 1.586 25790 3802 1 10 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.343 -0.109 25790 3803 1 10 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.731 -0.811 25790 3804 1 10 . 1 1 42 42 GLN H H 42 8.641 8.641 8.394 0.247 25790 3805 1 10 . 1 1 43 43 GLU N N 43 121.517 121.517 120.156 1.361 25790 3806 1 10 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.120 0.116 25790 3807 1 10 . 1 1 43 43 GLU C C 43 179.721 179.721 179.108 0.613 25790 3808 1 10 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.479 0.188 25790 3809 1 10 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.463 -0.205 25790 3810 1 10 . 1 1 43 43 GLU H H 43 8.111 8.111 8.170 -0.059 25790 3811 1 10 . 1 1 44 44 GLN N N 44 119.240 119.240 117.714 1.526 25790 3812 1 10 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.069 0.047 25790 3813 1 10 . 1 1 44 44 GLN C C 44 179.012 179.012 178.775 0.237 25790 3814 1 10 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.934 0.215 25790 3815 1 10 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.694 0.160 25790 3816 1 10 . 1 1 44 44 GLN H H 44 8.372 8.372 8.342 0.030 25790 3817 1 10 . 1 1 45 45 HIS N N 45 121.705 121.705 118.358 3.347 25790 3818 1 10 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.563 -0.283 25790 3819 1 10 . 1 1 45 45 HIS C C 45 176.395 176.395 177.313 -0.918 25790 3820 1 10 . 1 1 45 45 HIS CA C 45 60.359 60.359 58.276 2.083 25790 3821 1 10 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.598 1.728 25790 3822 1 10 . 1 1 45 45 HIS H H 45 9.472 9.472 7.956 1.516 25790 3823 1 10 . 1 1 46 46 TYR N N 46 119.039 119.039 122.100 -3.061 25790 3824 1 10 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.265 -0.416 25790 3825 1 10 . 1 1 46 46 TYR C C 46 176.664 176.664 177.490 -0.826 25790 3826 1 10 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.540 0.711 25790 3827 1 10 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.294 -0.622 25790 3828 1 10 . 1 1 46 46 TYR H H 46 8.253 8.253 8.336 -0.083 25790 3829 1 10 . 1 1 47 47 GLN N N 47 116.407 116.407 118.351 -1.944 25790 3830 1 10 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.766 0.018 25790 3831 1 10 . 1 1 47 47 GLN C C 47 179.048 179.048 178.115 0.933 25790 3832 1 10 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.724 -0.775 25790 3833 1 10 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.240 -0.059 25790 3834 1 10 . 1 1 47 47 GLN H H 47 7.814 7.814 8.419 -0.605 25790 3835 1 10 . 1 1 48 48 GLN N N 48 119.803 119.803 119.600 0.203 25790 3836 1 10 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.153 -0.176 25790 3837 1 10 . 1 1 48 48 GLN C C 48 177.741 177.741 178.272 -0.531 25790 3838 1 10 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.536 -0.222 25790 3839 1 10 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.550 -0.222 25790 3840 1 10 . 1 1 48 48 GLN H H 48 8.645 8.645 7.668 0.977 25790 3841 1 10 . 1 1 49 49 TYR N N 49 121.342 121.342 120.800 0.542 25790 3842 1 10 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.134 -0.494 25790 3843 1 10 . 1 1 49 49 TYR C C 49 176.021 176.021 177.673 -1.652 25790 3844 1 10 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.777 0.332 25790 3845 1 10 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.355 0.552 25790 3846 1 10 . 1 1 49 49 TYR H H 49 9.105 9.105 7.961 1.144 25790 3847 1 10 . 1 1 50 50 MET N N 50 115.522 115.522 118.393 -2.871 25790 3848 1 10 . 1 1 50 50 MET HA H 50 4.040 4.040 3.893 0.147 25790 3849 1 10 . 1 1 50 50 MET C C 50 179.841 179.841 178.246 1.595 25790 3850 1 10 . 1 1 50 50 MET CA C 50 56.623 56.623 58.463 -1.840 25790 3851 1 10 . 1 1 50 50 MET CB C 50 30.099 30.099 32.322 -2.223 25790 3852 1 10 . 1 1 50 50 MET H H 50 8.060 8.060 8.350 -0.290 25790 3853 1 10 . 1 1 51 51 GLN N N 51 118.942 118.942 118.424 0.518 25790 3854 1 10 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.894 0.171 25790 3855 1 10 . 1 1 51 51 GLN C C 51 178.707 178.707 178.494 0.213 25790 3856 1 10 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.160 -0.219 25790 3857 1 10 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.413 0.076 25790 3858 1 10 . 1 1 51 51 GLN H H 51 7.830 7.830 8.165 -0.335 25790 3859 1 10 . 1 1 52 52 GLN N N 52 119.210 119.210 120.110 -0.900 25790 3860 1 10 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.043 0.014 25790 3861 1 10 . 1 1 52 52 GLN C C 52 178.738 178.738 178.435 0.303 25790 3862 1 10 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.864 -0.115 25790 3863 1 10 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.654 -0.251 25790 3864 1 10 . 1 1 52 52 GLN H H 52 8.187 8.187 7.975 0.212 25790 3865 1 10 . 1 1 53 53 LEU N N 53 121.233 121.233 119.834 1.399 25790 3866 1 10 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.866 -0.025 25790 3867 1 10 . 1 1 53 53 LEU C C 53 179.191 179.191 178.733 0.458 25790 3868 1 10 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.405 0.340 25790 3869 1 10 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.694 0.172 25790 3870 1 10 . 1 1 53 53 LEU H H 53 8.441 8.441 7.767 0.674 25790 3871 1 10 . 1 1 54 54 TYR N N 54 118.505 118.505 119.734 -1.229 25790 3872 1 10 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.974 0.344 25790 3873 1 10 . 1 1 54 54 TYR C C 54 177.535 177.535 177.137 0.398 25790 3874 1 10 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.070 -1.593 25790 3875 1 10 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.927 -0.141 25790 3876 1 10 . 1 1 54 54 TYR H H 54 7.819 7.819 8.270 -0.451 25790 3877 1 10 . 1 1 55 55 GLN N N 55 117.299 117.299 118.022 -0.723 25790 3878 1 10 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.588 0.311 25790 3879 1 10 . 1 1 55 55 GLN C C 55 179.041 179.041 178.236 0.805 25790 3880 1 10 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.483 0.226 25790 3881 1 10 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.509 -0.294 25790 3882 1 10 . 1 1 55 55 GLN H H 55 7.735 7.735 7.577 0.158 25790 3883 1 10 . 1 1 56 56 VAL N N 56 120.879 120.879 121.019 -0.140 25790 3884 1 10 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.510 0.282 25790 3885 1 10 . 1 1 56 56 VAL C C 56 178.262 178.262 177.935 0.327 25790 3886 1 10 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.516 -0.574 25790 3887 1 10 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.291 0.588 25790 3888 1 10 . 1 1 56 56 VAL H H 56 8.014 8.014 7.734 0.280 25790 3889 1 10 . 1 1 57 57 GLN N N 57 120.513 120.513 119.358 1.155 25790 3890 1 10 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.997 0.063 25790 3891 1 10 . 1 1 57 57 GLN C C 57 178.772 178.772 178.955 -0.183 25790 3892 1 10 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.090 -0.474 25790 3893 1 10 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.837 -0.852 25790 3894 1 10 . 1 1 57 57 GLN H H 57 8.103 8.103 8.090 0.013 25790 3895 1 10 . 1 1 58 58 LEU N N 58 121.244 121.244 119.400 1.844 25790 3896 1 10 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.959 0.046 25790 3897 1 10 . 1 1 58 58 LEU C C 58 179.134 179.134 178.727 0.407 25790 3898 1 10 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.294 0.212 25790 3899 1 10 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.373 0.430 25790 3900 1 10 . 1 1 58 58 LEU H H 58 8.176 8.176 7.910 0.266 25790 3901 1 10 . 1 1 59 59 ALA N N 59 121.608 121.608 121.807 -0.199 25790 3902 1 10 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.852 0.313 25790 3903 1 10 . 1 1 59 59 ALA C C 59 180.497 180.497 179.856 0.641 25790 3904 1 10 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.210 -0.628 25790 3905 1 10 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.949 0.104 25790 3906 1 10 . 1 1 59 59 ALA H H 59 7.833 7.833 8.058 -0.225 25790 3907 1 10 . 1 1 60 60 GLN N N 60 118.335 118.335 117.569 0.766 25790 3908 1 10 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.938 0.210 25790 3909 1 10 . 1 1 60 60 GLN C C 60 178.334 178.334 178.798 -0.464 25790 3910 1 10 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.849 -0.872 25790 3911 1 10 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.618 -0.183 25790 3912 1 10 . 1 1 60 60 GLN H H 60 8.081 8.081 7.807 0.274 25790 3913 1 10 . 1 1 61 61 GLN N N 61 120.206 120.206 119.265 0.941 25790 3914 1 10 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.963 0.199 25790 3915 1 10 . 1 1 61 61 GLN C C 61 178.002 178.002 178.414 -0.412 25790 3916 1 10 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.199 -1.294 25790 3917 1 10 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.703 -0.123 25790 3918 1 10 . 1 1 61 61 GLN H H 61 8.111 8.111 7.993 0.118 25790 3919 1 10 . 1 1 62 62 GLN N N 62 118.980 118.980 118.323 0.657 25790 3920 1 10 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.093 0.036 25790 3921 1 10 . 1 1 62 62 GLN C C 62 177.624 177.624 178.261 -0.637 25790 3922 1 10 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.468 -0.832 25790 3923 1 10 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.105 0.531 25790 3924 1 10 . 1 1 62 62 GLN H H 62 8.203 8.203 8.488 -0.285 25790 3925 1 10 . 1 1 63 63 ALA N N 63 122.712 122.712 123.072 -0.360 25790 3926 1 10 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.082 0.124 25790 3927 1 10 . 1 1 63 63 ALA C C 63 178.922 178.922 178.833 0.089 25790 3928 1 10 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.521 -0.625 25790 3929 1 10 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.105 0.354 25790 3930 1 10 . 1 1 63 63 ALA H H 63 8.004 8.004 7.795 0.209 25790 3931 1 10 . 1 1 64 64 ALA N N 64 120.813 120.813 120.522 0.291 25790 3932 1 10 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.155 0.077 25790 3933 1 10 . 1 1 64 64 ALA C C 64 178.732 178.732 179.124 -0.392 25790 3934 1 10 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.839 -0.323 25790 3935 1 10 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.279 -0.649 25790 3936 1 10 . 1 1 64 64 ALA H H 64 7.837 7.837 7.543 0.294 25790 3937 1 10 . 1 1 65 65 LEU N N 65 119.196 119.196 117.734 1.462 25790 3938 1 10 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.119 0.138 25790 3939 1 10 . 1 1 65 65 LEU C C 65 178.038 178.038 177.413 0.625 25790 3940 1 10 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.875 -0.053 25790 3941 1 10 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.618 -0.354 25790 3942 1 10 . 1 1 65 65 LEU H H 65 7.765 7.765 8.042 -0.277 25790 3943 1 10 . 1 1 66 66 GLN N N 66 119.365 119.365 115.146 4.219 25790 3944 1 10 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.937 0.338 25790 3945 1 10 . 1 1 66 66 GLN C C 66 176.120 176.120 176.253 -0.133 25790 3946 1 10 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.783 -0.716 25790 3947 1 10 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.177 2.955 25790 3948 1 10 . 1 1 66 66 GLN H H 66 7.967 7.967 7.986 -0.019 25790 3949 1 10 . 1 1 67 67 LYS N N 67 121.521 121.521 118.831 2.690 25790 3950 1 10 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.233 0.076 25790 3951 1 10 . 1 1 67 67 LYS C C 67 176.437 176.437 176.696 -0.259 25790 3952 1 10 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.040 0.349 25790 3953 1 10 . 1 1 67 67 LYS CB C 67 33.041 33.041 30.338 2.703 25790 3954 1 10 . 1 1 67 67 LYS H H 67 8.053 8.053 8.409 -0.356 25790 3955 1 10 . 1 1 68 68 GLN N N 68 121.970 121.970 118.645 3.325 25790 3956 1 10 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.304 0.035 25790 3957 1 10 . 1 1 68 68 GLN C C 68 175.120 175.120 175.458 -0.338 25790 3958 1 10 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.109 0.891 25790 3959 1 10 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.072 2.426 25790 3960 1 10 . 1 1 68 68 GLN H H 68 8.314 8.314 7.997 0.317 25790 3961 1 11 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.316 0.131 25790 3962 1 11 . 1 1 2 2 GLN C C 2 176.144 176.144 177.424 -1.280 25790 3963 1 11 . 1 1 2 2 GLN CA C 2 56.209 56.209 57.478 -1.269 25790 3964 1 11 . 1 1 2 2 GLN CB C 2 29.459 29.459 27.910 1.549 25790 3965 1 11 . 1 1 3 3 GLN N N 3 122.052 122.052 120.084 1.968 25790 3966 1 11 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.033 0.290 25790 3967 1 11 . 1 1 3 3 GLN C C 3 176.988 176.988 177.761 -0.773 25790 3968 1 11 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.425 -1.022 25790 3969 1 11 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.875 1.364 25790 3970 1 11 . 1 1 3 3 GLN H H 3 8.780 8.780 8.742 0.038 25790 3971 1 11 . 1 1 4 4 LYS N N 4 121.855 121.855 121.199 0.656 25790 3972 1 11 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.971 0.033 25790 3973 1 11 . 1 1 4 4 LYS C C 4 177.638 177.638 178.418 -0.780 25790 3974 1 11 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.520 0.719 25790 3975 1 11 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.239 0.460 25790 3976 1 11 . 1 1 4 4 LYS H H 4 8.528 8.528 7.648 0.880 25790 3977 1 11 . 1 1 5 5 GLN N N 5 116.397 116.397 117.910 -1.513 25790 3978 1 11 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.979 -0.038 25790 3979 1 11 . 1 1 5 5 GLN C C 5 178.761 178.761 178.522 0.239 25790 3980 1 11 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.487 0.862 25790 3981 1 11 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.540 0.410 25790 3982 1 11 . 1 1 5 5 GLN H H 5 8.223 8.223 8.066 0.157 25790 3983 1 11 . 1 1 6 6 GLN N N 6 119.262 119.262 119.345 -0.083 25790 3984 1 11 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.066 0.062 25790 3985 1 11 . 1 1 6 6 GLN C C 6 179.018 179.018 178.686 0.332 25790 3986 1 11 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.801 0.288 25790 3987 1 11 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.554 0.156 25790 3988 1 11 . 1 1 6 6 GLN H H 6 7.848 7.848 8.153 -0.305 25790 3989 1 11 . 1 1 7 7 ILE N N 7 121.296 121.296 120.342 0.954 25790 3990 1 11 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.725 -0.142 25790 3991 1 11 . 1 1 7 7 ILE C C 7 177.833 177.833 177.908 -0.075 25790 3992 1 11 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.991 0.138 25790 3993 1 11 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.920 0.286 25790 3994 1 11 . 1 1 7 7 ILE H H 7 8.095 8.095 7.357 0.738 25790 3995 1 11 . 1 1 8 8 MET N N 8 117.603 117.603 119.036 -1.433 25790 3996 1 11 . 1 1 8 8 MET HA H 8 3.985 3.985 4.029 -0.044 25790 3997 1 11 . 1 1 8 8 MET C C 8 177.355 177.355 178.544 -1.189 25790 3998 1 11 . 1 1 8 8 MET CA C 8 59.932 59.932 59.389 0.543 25790 3999 1 11 . 1 1 8 8 MET CB C 8 32.721 32.721 32.246 0.475 25790 4000 1 11 . 1 1 8 8 MET H H 8 8.672 8.672 8.230 0.442 25790 4001 1 11 . 1 1 9 9 ALA N N 9 118.774 118.774 121.567 -2.793 25790 4002 1 11 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.028 0.018 25790 4003 1 11 . 1 1 9 9 ALA C C 9 180.546 180.546 179.178 1.368 25790 4004 1 11 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.092 0.293 25790 4005 1 11 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.901 -0.003 25790 4006 1 11 . 1 1 9 9 ALA H H 9 7.795 7.795 8.296 -0.501 25790 4007 1 11 . 1 1 10 10 ALA N N 10 120.854 120.854 121.850 -0.996 25790 4008 1 11 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.022 0.183 25790 4009 1 11 . 1 1 10 10 ALA C C 10 181.200 181.200 179.654 1.546 25790 4010 1 11 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.964 0.048 25790 4011 1 11 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.230 1.031 25790 4012 1 11 . 1 1 10 10 ALA H H 10 7.438 7.438 7.613 -0.175 25790 4013 1 11 . 1 1 11 11 LEU N N 11 120.775 120.775 117.785 2.990 25790 4014 1 11 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.791 -0.043 25790 4015 1 11 . 1 1 11 11 LEU C C 11 179.041 179.041 179.112 -0.071 25790 4016 1 11 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.717 0.629 25790 4017 1 11 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.286 -1.309 25790 4018 1 11 . 1 1 11 11 LEU H H 11 8.757 8.757 8.503 0.254 25790 4019 1 11 . 1 1 12 12 ASN N N 12 116.313 116.313 118.398 -2.085 25790 4020 1 11 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.357 0.207 25790 4021 1 11 . 1 1 12 12 ASN C C 12 178.900 178.900 177.551 1.349 25790 4022 1 11 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.590 -2.525 25790 4023 1 11 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.405 -1.412 25790 4024 1 11 . 1 1 12 12 ASN H H 12 8.850 8.850 8.333 0.517 25790 4025 1 11 . 1 1 13 13 SER N N 13 114.747 114.747 115.007 -0.260 25790 4026 1 11 . 1 1 13 13 SER HA H 13 4.370 4.370 4.216 0.154 25790 4027 1 11 . 1 1 13 13 SER C C 13 176.515 176.515 177.408 -0.893 25790 4028 1 11 . 1 1 13 13 SER CA C 13 61.141 61.141 61.201 -0.060 25790 4029 1 11 . 1 1 13 13 SER CB C 13 63.044 63.044 62.926 0.118 25790 4030 1 11 . 1 1 13 13 SER H H 13 7.672 7.672 7.730 -0.058 25790 4031 1 11 . 1 1 14 14 GLN N N 14 119.954 119.954 119.758 0.196 25790 4032 1 11 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.094 0.124 25790 4033 1 11 . 1 1 14 14 GLN C C 14 178.208 178.208 177.599 0.609 25790 4034 1 11 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.113 -0.364 25790 4035 1 11 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.956 -0.256 25790 4036 1 11 . 1 1 14 14 GLN H H 14 7.573 7.573 7.975 -0.402 25790 4037 1 11 . 1 1 15 15 THR N N 15 107.493 107.493 107.950 -0.457 25790 4038 1 11 . 1 1 15 15 THR HA H 15 3.899 3.899 4.164 -0.265 25790 4039 1 11 . 1 1 15 15 THR C C 15 174.683 174.683 174.738 -0.055 25790 4040 1 11 . 1 1 15 15 THR CA C 15 61.551 61.551 60.941 0.610 25790 4041 1 11 . 1 1 15 15 THR CB C 15 69.226 69.226 68.455 0.771 25790 4042 1 11 . 1 1 15 15 THR H H 15 7.741 7.741 7.761 -0.020 25790 4043 1 11 . 1 1 16 16 ALA N N 16 124.034 124.034 126.305 -2.271 25790 4044 1 11 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.918 0.217 25790 4045 1 11 . 1 1 16 16 ALA C C 16 179.899 179.899 178.523 1.376 25790 4046 1 11 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.722 0.485 25790 4047 1 11 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.811 0.914 25790 4048 1 11 . 1 1 16 16 ALA H H 16 6.873 6.873 7.474 -0.601 25790 4049 1 11 . 1 1 17 17 VAL N N 17 117.150 117.150 118.803 -1.653 25790 4050 1 11 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.806 -0.092 25790 4051 1 11 . 1 1 17 17 VAL C C 17 178.537 178.537 177.322 1.215 25790 4052 1 11 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.993 1.514 25790 4053 1 11 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.028 0.665 25790 4054 1 11 . 1 1 17 17 VAL H H 17 8.162 8.162 8.344 -0.182 25790 4055 1 11 . 1 1 18 18 GLN N N 18 119.489 119.489 120.345 -0.856 25790 4056 1 11 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.085 -0.028 25790 4057 1 11 . 1 1 18 18 GLN C C 18 180.429 180.429 178.748 1.681 25790 4058 1 11 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.290 0.409 25790 4059 1 11 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.512 0.673 25790 4060 1 11 . 1 1 18 18 GLN H H 18 8.451 8.451 8.234 0.217 25790 4061 1 11 . 1 1 19 19 PHE N N 19 117.940 117.940 117.360 0.580 25790 4062 1 11 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.629 0.201 25790 4063 1 11 . 1 1 19 19 PHE C C 19 177.858 177.858 177.865 -0.007 25790 4064 1 11 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.281 -0.252 25790 4065 1 11 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.403 -2.498 25790 4066 1 11 . 1 1 19 19 PHE H H 19 8.924 8.924 8.595 0.329 25790 4067 1 11 . 1 1 20 20 GLN N N 20 120.297 120.297 121.378 -1.081 25790 4068 1 11 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.937 0.169 25790 4069 1 11 . 1 1 20 20 GLN C C 20 178.986 178.986 178.225 0.761 25790 4070 1 11 . 1 1 20 20 GLN CA C 20 59.563 59.563 60.029 -0.466 25790 4071 1 11 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.723 -0.827 25790 4072 1 11 . 1 1 20 20 GLN H H 20 8.264 8.264 7.874 0.390 25790 4073 1 11 . 1 1 21 21 GLN N N 21 118.595 118.595 117.403 1.192 25790 4074 1 11 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.090 -0.008 25790 4075 1 11 . 1 1 21 21 GLN C C 21 178.806 178.806 178.521 0.285 25790 4076 1 11 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.285 0.885 25790 4077 1 11 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.319 -0.123 25790 4078 1 11 . 1 1 21 21 GLN H H 21 8.527 8.527 7.931 0.596 25790 4079 1 11 . 1 1 22 22 TYR N N 22 119.594 119.594 121.864 -2.270 25790 4080 1 11 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.189 0.058 25790 4081 1 11 . 1 1 22 22 TYR C C 22 177.789 177.789 177.205 0.584 25790 4082 1 11 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.808 0.904 25790 4083 1 11 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.383 0.341 25790 4084 1 11 . 1 1 22 22 TYR H H 22 7.843 7.843 7.627 0.216 25790 4085 1 11 . 1 1 23 23 ALA N N 23 120.663 120.663 120.689 -0.026 25790 4086 1 11 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.716 0.141 25790 4087 1 11 . 1 1 23 23 ALA C C 23 179.319 179.319 179.104 0.215 25790 4088 1 11 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.723 0.866 25790 4089 1 11 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.036 0.446 25790 4090 1 11 . 1 1 23 23 ALA H H 23 8.612 8.612 8.381 0.231 25790 4091 1 11 . 1 1 24 24 ALA N N 24 119.002 119.002 119.440 -0.438 25790 4092 1 11 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.106 -0.168 25790 4093 1 11 . 1 1 24 24 ALA C C 24 178.987 178.987 178.836 0.151 25790 4094 1 11 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.170 0.147 25790 4095 1 11 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.466 -0.575 25790 4096 1 11 . 1 1 24 24 ALA H H 24 8.168 8.168 8.091 0.077 25790 4097 1 11 . 1 1 25 25 GLN N N 25 115.599 115.599 115.971 -0.372 25790 4098 1 11 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.059 -0.055 25790 4099 1 11 . 1 1 25 25 GLN C C 25 177.818 177.818 177.236 0.582 25790 4100 1 11 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.818 -0.364 25790 4101 1 11 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.706 -0.251 25790 4102 1 11 . 1 1 25 25 GLN H H 25 7.300 7.300 7.446 -0.146 25790 4103 1 11 . 1 1 26 26 GLN N N 26 116.989 116.989 116.760 0.229 25790 4104 1 11 . 1 1 26 26 GLN HA H 26 3.704 3.704 4.077 -0.373 25790 4105 1 11 . 1 1 26 26 GLN C C 26 175.979 175.979 176.351 -0.372 25790 4106 1 11 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.765 0.023 25790 4107 1 11 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.640 -1.560 25790 4108 1 11 . 1 1 26 26 GLN H H 26 7.401 7.401 7.249 0.152 25790 4109 1 11 . 1 1 27 27 TYR N N 27 114.712 114.712 118.334 -3.622 25790 4110 1 11 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.981 0.097 25790 4111 1 11 . 1 1 27 27 TYR C C 27 172.931 172.931 173.699 -0.768 25790 4112 1 11 . 1 1 27 27 TYR CA C 27 55.167 55.167 53.809 1.359 25790 4113 1 11 . 1 1 27 27 TYR CB C 27 39.660 39.660 37.768 1.892 25790 4114 1 11 . 1 1 27 27 TYR H H 27 7.675 7.675 8.265 -0.590 25790 4115 1 11 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.411 -0.049 25790 4116 1 11 . 1 1 28 28 PRO C C 28 179.333 179.333 177.908 1.425 25790 4117 1 11 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.094 0.300 25790 4118 1 11 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.447 -1.193 25790 4119 1 11 . 1 1 29 29 GLY N N 29 110.091 110.091 112.857 -2.766 25790 4120 1 11 . 1 1 29 29 GLY C C 29 173.218 173.218 174.539 -1.321 25790 4121 1 11 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.258 0.654 25790 4122 1 11 . 1 1 29 29 GLY H H 29 8.826 8.826 8.719 0.107 25790 4123 1 11 . 1 1 30 30 ASN N N 30 118.603 118.603 121.551 -2.948 25790 4124 1 11 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.023 -0.024 25790 4125 1 11 . 1 1 30 30 ASN C C 30 173.977 173.977 174.467 -0.490 25790 4126 1 11 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.847 -0.662 25790 4127 1 11 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.945 0.481 25790 4128 1 11 . 1 1 30 30 ASN H H 30 7.293 7.293 7.829 -0.536 25790 4129 1 11 . 1 1 31 31 TYR N N 31 125.240 125.240 125.288 -0.048 25790 4130 1 11 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.005 -0.107 25790 4131 1 11 . 1 1 31 31 TYR C C 31 177.343 177.343 176.762 0.581 25790 4132 1 11 . 1 1 31 31 TYR CA C 31 61.811 61.811 63.180 -1.369 25790 4133 1 11 . 1 1 31 31 TYR CB C 31 38.357 38.357 39.031 -0.674 25790 4134 1 11 . 1 1 31 31 TYR H H 31 8.509 8.509 7.874 0.635 25790 4135 1 11 . 1 1 32 32 GLU N N 32 118.993 118.993 116.608 2.385 25790 4136 1 11 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.752 0.148 25790 4137 1 11 . 1 1 32 32 GLU C C 32 179.549 179.549 178.535 1.014 25790 4138 1 11 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.502 0.610 25790 4139 1 11 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.062 1.106 25790 4140 1 11 . 1 1 32 32 GLU H H 32 8.714 8.714 8.798 -0.084 25790 4141 1 11 . 1 1 33 33 GLN N N 33 117.037 117.037 118.610 -1.573 25790 4142 1 11 . 1 1 33 33 GLN HA H 33 3.733 3.733 4.107 -0.374 25790 4143 1 11 . 1 1 33 33 GLN C C 33 179.119 179.119 178.821 0.298 25790 4144 1 11 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.419 -0.716 25790 4145 1 11 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.766 -0.140 25790 4146 1 11 . 1 1 33 33 GLN H H 33 7.536 7.536 8.321 -0.785 25790 4147 1 11 . 1 1 34 34 GLN N N 34 117.723 117.723 119.764 -2.041 25790 4148 1 11 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.083 -0.272 25790 4149 1 11 . 1 1 34 34 GLN C C 34 177.634 177.634 178.579 -0.945 25790 4150 1 11 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.638 0.527 25790 4151 1 11 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.463 -0.962 25790 4152 1 11 . 1 1 34 34 GLN H H 34 7.968 7.968 8.568 -0.600 25790 4153 1 11 . 1 1 35 35 GLN N N 35 115.293 115.293 118.583 -3.290 25790 4154 1 11 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.077 -0.286 25790 4155 1 11 . 1 1 35 35 GLN C C 35 178.757 178.757 178.630 0.127 25790 4156 1 11 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.134 0.476 25790 4157 1 11 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.237 -0.032 25790 4158 1 11 . 1 1 35 35 GLN H H 35 7.870 7.870 7.600 0.270 25790 4159 1 11 . 1 1 36 36 ILE N N 36 120.769 120.769 121.041 -0.272 25790 4160 1 11 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.693 -0.129 25790 4161 1 11 . 1 1 36 36 ILE C C 36 178.273 178.273 178.194 0.079 25790 4162 1 11 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.231 0.006 25790 4163 1 11 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.775 0.598 25790 4164 1 11 . 1 1 36 36 ILE H H 36 7.503 7.503 7.785 -0.282 25790 4165 1 11 . 1 1 37 37 LEU N N 37 121.056 121.056 121.752 -0.696 25790 4166 1 11 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.075 0.234 25790 4167 1 11 . 1 1 37 37 LEU C C 37 178.348 178.348 178.264 0.084 25790 4168 1 11 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.125 -0.391 25790 4169 1 11 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.708 -0.192 25790 4170 1 11 . 1 1 37 37 LEU H H 37 7.678 7.678 8.346 -0.668 25790 4171 1 11 . 1 1 38 38 ILE N N 38 119.334 119.334 119.442 -0.108 25790 4172 1 11 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.627 -0.286 25790 4173 1 11 . 1 1 38 38 ILE C C 38 177.371 177.371 177.905 -0.534 25790 4174 1 11 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.708 1.377 25790 4175 1 11 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.542 0.807 25790 4176 1 11 . 1 1 38 38 ILE H H 38 8.702 8.702 8.276 0.426 25790 4177 1 11 . 1 1 39 39 ARG N N 39 117.798 117.798 120.419 -2.621 25790 4178 1 11 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.172 0.043 25790 4179 1 11 . 1 1 39 39 ARG C C 39 179.555 179.555 178.799 0.756 25790 4180 1 11 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.531 -0.072 25790 4181 1 11 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.811 -0.059 25790 4182 1 11 . 1 1 39 39 ARG H H 39 7.739 7.739 8.119 -0.380 25790 4183 1 11 . 1 1 40 40 GLN N N 40 119.432 119.432 118.565 0.867 25790 4184 1 11 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.089 0.048 25790 4185 1 11 . 1 1 40 40 GLN C C 40 179.522 179.522 178.702 0.820 25790 4186 1 11 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.047 0.213 25790 4187 1 11 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.673 -0.315 25790 4188 1 11 . 1 1 40 40 GLN H H 40 7.811 7.811 7.726 0.085 25790 4189 1 11 . 1 1 41 41 LEU N N 41 121.592 121.592 120.289 1.303 25790 4190 1 11 . 1 1 41 41 LEU HA H 41 3.687 3.687 4.152 -0.465 25790 4191 1 11 . 1 1 41 41 LEU C C 41 178.974 178.974 179.695 -0.721 25790 4192 1 11 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.532 0.431 25790 4193 1 11 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.290 -1.438 25790 4194 1 11 . 1 1 41 41 LEU H H 41 8.648 8.648 8.457 0.191 25790 4195 1 11 . 1 1 42 42 GLN N N 42 119.054 119.054 118.376 0.678 25790 4196 1 11 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.271 0.273 25790 4197 1 11 . 1 1 42 42 GLN C C 42 180.176 180.176 178.606 1.570 25790 4198 1 11 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.551 -0.317 25790 4199 1 11 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.674 -0.754 25790 4200 1 11 . 1 1 42 42 GLN H H 42 8.641 8.641 8.722 -0.081 25790 4201 1 11 . 1 1 43 43 GLU N N 43 121.517 121.517 120.784 0.733 25790 4202 1 11 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.048 0.188 25790 4203 1 11 . 1 1 43 43 GLU C C 43 179.721 179.721 179.067 0.654 25790 4204 1 11 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.495 0.173 25790 4205 1 11 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.520 -0.262 25790 4206 1 11 . 1 1 43 43 GLU H H 43 8.111 8.111 8.048 0.063 25790 4207 1 11 . 1 1 44 44 GLN N N 44 119.240 119.240 118.345 0.895 25790 4208 1 11 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.277 -0.161 25790 4209 1 11 . 1 1 44 44 GLN C C 44 179.012 179.012 178.690 0.322 25790 4210 1 11 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.704 0.445 25790 4211 1 11 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.936 -0.083 25790 4212 1 11 . 1 1 44 44 GLN H H 44 8.372 8.372 8.213 0.159 25790 4213 1 11 . 1 1 45 45 HIS N N 45 121.705 121.705 120.293 1.412 25790 4214 1 11 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.365 -0.085 25790 4215 1 11 . 1 1 45 45 HIS C C 45 176.395 176.395 177.212 -0.817 25790 4216 1 11 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.492 0.867 25790 4217 1 11 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.054 2.271 25790 4218 1 11 . 1 1 45 45 HIS H H 45 9.472 9.472 8.552 0.920 25790 4219 1 11 . 1 1 46 46 TYR N N 46 119.039 119.039 119.926 -0.887 25790 4220 1 11 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.199 -0.350 25790 4221 1 11 . 1 1 46 46 TYR C C 46 176.664 176.664 177.629 -0.965 25790 4222 1 11 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.257 -0.006 25790 4223 1 11 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.436 -0.764 25790 4224 1 11 . 1 1 46 46 TYR H H 46 8.253 8.253 8.441 -0.188 25790 4225 1 11 . 1 1 47 47 GLN N N 47 116.407 116.407 118.060 -1.653 25790 4226 1 11 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.886 -0.102 25790 4227 1 11 . 1 1 47 47 GLN C C 47 179.048 179.048 178.065 0.983 25790 4228 1 11 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.104 -0.155 25790 4229 1 11 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.310 -0.129 25790 4230 1 11 . 1 1 47 47 GLN H H 47 7.814 7.814 7.874 -0.060 25790 4231 1 11 . 1 1 48 48 GLN N N 48 119.803 119.803 120.265 -0.462 25790 4232 1 11 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.966 0.011 25790 4233 1 11 . 1 1 48 48 GLN C C 48 177.741 177.741 178.180 -0.439 25790 4234 1 11 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.869 -0.555 25790 4235 1 11 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.612 -0.284 25790 4236 1 11 . 1 1 48 48 GLN H H 48 8.645 8.645 7.647 0.998 25790 4237 1 11 . 1 1 49 49 TYR N N 49 121.342 121.342 120.945 0.397 25790 4238 1 11 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.100 -0.460 25790 4239 1 11 . 1 1 49 49 TYR C C 49 176.021 176.021 177.816 -1.795 25790 4240 1 11 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.456 0.653 25790 4241 1 11 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.178 0.729 25790 4242 1 11 . 1 1 49 49 TYR H H 49 9.105 9.105 8.091 1.014 25790 4243 1 11 . 1 1 50 50 MET N N 50 115.522 115.522 119.012 -3.490 25790 4244 1 11 . 1 1 50 50 MET HA H 50 4.040 4.040 3.850 0.190 25790 4245 1 11 . 1 1 50 50 MET C C 50 179.841 179.841 177.806 2.035 25790 4246 1 11 . 1 1 50 50 MET CA C 50 56.623 56.623 58.513 -1.890 25790 4247 1 11 . 1 1 50 50 MET CB C 50 30.099 30.099 32.331 -2.232 25790 4248 1 11 . 1 1 50 50 MET H H 50 8.060 8.060 8.277 -0.217 25790 4249 1 11 . 1 1 51 51 GLN N N 51 118.942 118.942 118.688 0.254 25790 4250 1 11 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.926 0.139 25790 4251 1 11 . 1 1 51 51 GLN C C 51 178.707 178.707 178.296 0.411 25790 4252 1 11 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.145 -0.204 25790 4253 1 11 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.576 -0.087 25790 4254 1 11 . 1 1 51 51 GLN H H 51 7.830 7.830 8.075 -0.245 25790 4255 1 11 . 1 1 52 52 GLN N N 52 119.210 119.210 119.948 -0.738 25790 4256 1 11 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.026 0.031 25790 4257 1 11 . 1 1 52 52 GLN C C 52 178.738 178.738 178.450 0.288 25790 4258 1 11 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.898 -0.149 25790 4259 1 11 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.553 -0.150 25790 4260 1 11 . 1 1 52 52 GLN H H 52 8.187 8.187 7.844 0.343 25790 4261 1 11 . 1 1 53 53 LEU N N 53 121.233 121.233 119.758 1.475 25790 4262 1 11 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.833 0.008 25790 4263 1 11 . 1 1 53 53 LEU C C 53 179.191 179.191 178.743 0.448 25790 4264 1 11 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.455 0.290 25790 4265 1 11 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.679 0.187 25790 4266 1 11 . 1 1 53 53 LEU H H 53 8.441 8.441 7.898 0.543 25790 4267 1 11 . 1 1 54 54 TYR N N 54 118.505 118.505 119.561 -1.056 25790 4268 1 11 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.993 0.325 25790 4269 1 11 . 1 1 54 54 TYR C C 54 177.535 177.535 177.130 0.405 25790 4270 1 11 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.961 -1.484 25790 4271 1 11 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.938 -0.152 25790 4272 1 11 . 1 1 54 54 TYR H H 54 7.819 7.819 8.206 -0.387 25790 4273 1 11 . 1 1 55 55 GLN N N 55 117.299 117.299 118.307 -1.008 25790 4274 1 11 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.553 0.346 25790 4275 1 11 . 1 1 55 55 GLN C C 55 179.041 179.041 178.176 0.865 25790 4276 1 11 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.532 0.177 25790 4277 1 11 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.511 -0.296 25790 4278 1 11 . 1 1 55 55 GLN H H 55 7.735 7.735 7.545 0.190 25790 4279 1 11 . 1 1 56 56 VAL N N 56 120.879 120.879 120.950 -0.071 25790 4280 1 11 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.495 0.297 25790 4281 1 11 . 1 1 56 56 VAL C C 56 178.262 178.262 177.961 0.301 25790 4282 1 11 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.456 -0.514 25790 4283 1 11 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.246 0.633 25790 4284 1 11 . 1 1 56 56 VAL H H 56 8.014 8.014 7.761 0.253 25790 4285 1 11 . 1 1 57 57 GLN N N 57 120.513 120.513 119.233 1.280 25790 4286 1 11 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.955 0.105 25790 4287 1 11 . 1 1 57 57 GLN C C 57 178.772 178.772 178.757 0.015 25790 4288 1 11 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.274 -0.658 25790 4289 1 11 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.538 -0.553 25790 4290 1 11 . 1 1 57 57 GLN H H 57 8.103 8.103 7.952 0.151 25790 4291 1 11 . 1 1 58 58 LEU N N 58 121.244 121.244 119.614 1.630 25790 4292 1 11 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.874 0.131 25790 4293 1 11 . 1 1 58 58 LEU C C 58 179.134 179.134 178.584 0.550 25790 4294 1 11 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.442 0.064 25790 4295 1 11 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.260 0.543 25790 4296 1 11 . 1 1 58 58 LEU H H 58 8.176 8.176 7.898 0.278 25790 4297 1 11 . 1 1 59 59 ALA N N 59 121.608 121.608 121.608 0.000 25790 4298 1 11 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.882 0.283 25790 4299 1 11 . 1 1 59 59 ALA C C 59 180.497 180.497 179.917 0.580 25790 4300 1 11 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.950 -0.368 25790 4301 1 11 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.115 -0.062 25790 4302 1 11 . 1 1 59 59 ALA H H 59 7.833 7.833 7.930 -0.097 25790 4303 1 11 . 1 1 60 60 GLN N N 60 118.335 118.335 117.398 0.937 25790 4304 1 11 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.986 0.162 25790 4305 1 11 . 1 1 60 60 GLN C C 60 178.334 178.334 178.751 -0.417 25790 4306 1 11 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.730 -0.752 25790 4307 1 11 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.707 -0.272 25790 4308 1 11 . 1 1 60 60 GLN H H 60 8.081 8.081 7.784 0.297 25790 4309 1 11 . 1 1 61 61 GLN N N 61 120.206 120.206 119.313 0.893 25790 4310 1 11 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.959 0.203 25790 4311 1 11 . 1 1 61 61 GLN C C 61 178.002 178.002 178.477 -0.475 25790 4312 1 11 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.340 -1.435 25790 4313 1 11 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.544 0.035 25790 4314 1 11 . 1 1 61 61 GLN H H 61 8.111 8.111 8.316 -0.205 25790 4315 1 11 . 1 1 62 62 GLN N N 62 118.980 118.980 117.972 1.008 25790 4316 1 11 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.070 0.059 25790 4317 1 11 . 1 1 62 62 GLN C C 62 177.624 177.624 178.175 -0.551 25790 4318 1 11 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.565 -0.929 25790 4319 1 11 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.049 0.587 25790 4320 1 11 . 1 1 62 62 GLN H H 62 8.203 8.203 8.566 -0.363 25790 4321 1 11 . 1 1 63 63 ALA N N 63 122.712 122.712 122.871 -0.159 25790 4322 1 11 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.123 0.083 25790 4323 1 11 . 1 1 63 63 ALA C C 63 178.922 178.922 179.064 -0.142 25790 4324 1 11 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.213 -0.317 25790 4325 1 11 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.183 0.276 25790 4326 1 11 . 1 1 63 63 ALA H H 63 8.004 8.004 7.544 0.460 25790 4327 1 11 . 1 1 64 64 ALA N N 64 120.813 120.813 120.972 -0.159 25790 4328 1 11 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.102 0.130 25790 4329 1 11 . 1 1 64 64 ALA C C 64 178.732 178.732 179.137 -0.405 25790 4330 1 11 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.170 -0.654 25790 4331 1 11 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.165 -0.535 25790 4332 1 11 . 1 1 64 64 ALA H H 64 7.837 7.837 7.839 -0.002 25790 4333 1 11 . 1 1 65 65 LEU N N 65 119.196 119.196 117.327 1.869 25790 4334 1 11 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.187 0.070 25790 4335 1 11 . 1 1 65 65 LEU C C 65 178.038 178.038 177.284 0.754 25790 4336 1 11 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.426 0.396 25790 4337 1 11 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.633 -0.368 25790 4338 1 11 . 1 1 65 65 LEU H H 65 7.765 7.765 7.932 -0.167 25790 4339 1 11 . 1 1 66 66 GLN N N 66 119.365 119.365 115.379 3.986 25790 4340 1 11 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.979 0.296 25790 4341 1 11 . 1 1 66 66 GLN C C 66 176.120 176.120 175.733 0.387 25790 4342 1 11 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.805 -0.738 25790 4343 1 11 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.235 2.897 25790 4344 1 11 . 1 1 66 66 GLN H H 66 7.967 7.967 7.941 0.026 25790 4345 1 11 . 1 1 67 67 LYS N N 67 121.521 121.521 113.816 7.705 25790 4346 1 11 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.227 0.082 25790 4347 1 11 . 1 1 67 67 LYS C C 67 176.437 176.437 177.273 -0.836 25790 4348 1 11 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.900 -0.511 25790 4349 1 11 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.209 0.832 25790 4350 1 11 . 1 1 67 67 LYS H H 67 8.053 8.053 8.258 -0.205 25790 4351 1 11 . 1 1 68 68 GLN N N 68 121.970 121.970 119.022 2.948 25790 4352 1 11 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.424 -0.085 25790 4353 1 11 . 1 1 68 68 GLN C C 68 175.120 175.120 175.614 -0.494 25790 4354 1 11 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.124 0.876 25790 4355 1 11 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.355 3.143 25790 4356 1 11 . 1 1 68 68 GLN H H 68 8.314 8.314 7.946 0.368 25790 4357 1 12 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.307 0.140 25790 4358 1 12 . 1 1 2 2 GLN C C 2 176.144 176.144 175.128 1.016 25790 4359 1 12 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.236 -0.027 25790 4360 1 12 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.711 0.748 25790 4361 1 12 . 1 1 3 3 GLN N N 3 122.052 122.052 118.155 3.897 25790 4362 1 12 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.571 -0.248 25790 4363 1 12 . 1 1 3 3 GLN C C 3 176.988 176.988 175.957 1.031 25790 4364 1 12 . 1 1 3 3 GLN CA C 3 57.403 57.403 55.752 1.651 25790 4365 1 12 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.667 0.572 25790 4366 1 12 . 1 1 3 3 GLN H H 3 8.780 8.780 8.751 0.029 25790 4367 1 12 . 1 1 4 4 LYS N N 4 121.855 121.855 120.669 1.186 25790 4368 1 12 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.123 -0.119 25790 4369 1 12 . 1 1 4 4 LYS C C 4 177.638 177.638 178.650 -1.012 25790 4370 1 12 . 1 1 4 4 LYS CA C 4 60.239 60.239 60.223 0.016 25790 4371 1 12 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.288 0.411 25790 4372 1 12 . 1 1 4 4 LYS H H 4 8.528 8.528 8.306 0.222 25790 4373 1 12 . 1 1 5 5 GLN N N 5 116.397 116.397 116.996 -0.599 25790 4374 1 12 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.075 -0.134 25790 4375 1 12 . 1 1 5 5 GLN C C 5 178.761 178.761 177.853 0.908 25790 4376 1 12 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.250 1.099 25790 4377 1 12 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.608 0.342 25790 4378 1 12 . 1 1 5 5 GLN H H 5 8.223 8.223 8.550 -0.327 25790 4379 1 12 . 1 1 6 6 GLN N N 6 119.262 119.262 119.724 -0.462 25790 4380 1 12 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.122 0.006 25790 4381 1 12 . 1 1 6 6 GLN C C 6 179.018 179.018 178.677 0.341 25790 4382 1 12 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.398 0.691 25790 4383 1 12 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.711 -0.001 25790 4384 1 12 . 1 1 6 6 GLN H H 6 7.848 7.848 7.613 0.235 25790 4385 1 12 . 1 1 7 7 ILE N N 7 121.296 121.296 121.083 0.213 25790 4386 1 12 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.744 -0.161 25790 4387 1 12 . 1 1 7 7 ILE C C 7 177.833 177.833 177.792 0.041 25790 4388 1 12 . 1 1 7 7 ILE CA C 7 65.129 65.129 65.731 -0.603 25790 4389 1 12 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.971 0.235 25790 4390 1 12 . 1 1 7 7 ILE H H 7 8.095 8.095 7.577 0.518 25790 4391 1 12 . 1 1 8 8 MET N N 8 117.603 117.603 118.781 -1.178 25790 4392 1 12 . 1 1 8 8 MET HA H 8 3.985 3.985 4.103 -0.118 25790 4393 1 12 . 1 1 8 8 MET C C 8 177.355 177.355 178.466 -1.111 25790 4394 1 12 . 1 1 8 8 MET CA C 8 59.932 59.932 57.112 2.820 25790 4395 1 12 . 1 1 8 8 MET CB C 8 32.721 32.721 31.087 1.634 25790 4396 1 12 . 1 1 8 8 MET H H 8 8.672 8.672 7.748 0.924 25790 4397 1 12 . 1 1 9 9 ALA N N 9 118.774 118.774 122.208 -3.434 25790 4398 1 12 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.943 0.103 25790 4399 1 12 . 1 1 9 9 ALA C C 9 180.546 180.546 178.715 1.831 25790 4400 1 12 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.172 0.213 25790 4401 1 12 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.115 -0.217 25790 4402 1 12 . 1 1 9 9 ALA H H 9 7.795 7.795 8.200 -0.405 25790 4403 1 12 . 1 1 10 10 ALA N N 10 120.854 120.854 121.374 -0.520 25790 4404 1 12 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.041 0.164 25790 4405 1 12 . 1 1 10 10 ALA C C 10 181.200 181.200 179.566 1.634 25790 4406 1 12 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.952 0.060 25790 4407 1 12 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.211 1.050 25790 4408 1 12 . 1 1 10 10 ALA H H 10 7.438 7.438 7.646 -0.208 25790 4409 1 12 . 1 1 11 11 LEU N N 11 120.775 120.775 119.092 1.683 25790 4410 1 12 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.792 -0.044 25790 4411 1 12 . 1 1 11 11 LEU C C 11 179.041 179.041 178.961 0.080 25790 4412 1 12 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.871 0.475 25790 4413 1 12 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.255 -1.278 25790 4414 1 12 . 1 1 11 11 LEU H H 11 8.757 8.757 8.316 0.441 25790 4415 1 12 . 1 1 12 12 ASN N N 12 116.313 116.313 117.816 -1.503 25790 4416 1 12 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.387 0.177 25790 4417 1 12 . 1 1 12 12 ASN C C 12 178.900 178.900 177.493 1.407 25790 4418 1 12 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.549 -2.484 25790 4419 1 12 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.663 -1.671 25790 4420 1 12 . 1 1 12 12 ASN H H 12 8.850 8.850 8.652 0.198 25790 4421 1 12 . 1 1 13 13 SER N N 13 114.747 114.747 115.513 -0.766 25790 4422 1 12 . 1 1 13 13 SER HA H 13 4.370 4.370 4.200 0.170 25790 4423 1 12 . 1 1 13 13 SER C C 13 176.515 176.515 176.989 -0.474 25790 4424 1 12 . 1 1 13 13 SER CA C 13 61.141 61.141 61.535 -0.394 25790 4425 1 12 . 1 1 13 13 SER CB C 13 63.044 63.044 63.111 -0.067 25790 4426 1 12 . 1 1 13 13 SER H H 13 7.672 7.672 7.818 -0.146 25790 4427 1 12 . 1 1 14 14 GLN N N 14 119.954 119.954 119.041 0.913 25790 4428 1 12 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.148 0.070 25790 4429 1 12 . 1 1 14 14 GLN C C 14 178.208 178.208 177.014 1.194 25790 4430 1 12 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.371 -0.622 25790 4431 1 12 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.694 0.006 25790 4432 1 12 . 1 1 14 14 GLN H H 14 7.573 7.573 8.165 -0.592 25790 4433 1 12 . 1 1 15 15 THR N N 15 107.493 107.493 108.015 -0.522 25790 4434 1 12 . 1 1 15 15 THR HA H 15 3.899 3.899 4.290 -0.391 25790 4435 1 12 . 1 1 15 15 THR C C 15 174.683 174.683 174.622 0.061 25790 4436 1 12 . 1 1 15 15 THR CA C 15 61.551 61.551 61.331 0.220 25790 4437 1 12 . 1 1 15 15 THR CB C 15 69.226 69.226 70.025 -0.799 25790 4438 1 12 . 1 1 15 15 THR H H 15 7.741 7.741 7.627 0.114 25790 4439 1 12 . 1 1 16 16 ALA N N 16 124.034 124.034 126.271 -2.237 25790 4440 1 12 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.024 0.111 25790 4441 1 12 . 1 1 16 16 ALA C C 16 179.899 179.899 178.945 0.954 25790 4442 1 12 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.628 0.579 25790 4443 1 12 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.093 0.631 25790 4444 1 12 . 1 1 16 16 ALA H H 16 6.873 6.873 7.211 -0.338 25790 4445 1 12 . 1 1 17 17 VAL N N 17 117.150 117.150 118.138 -0.988 25790 4446 1 12 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.753 -0.039 25790 4447 1 12 . 1 1 17 17 VAL C C 17 178.537 178.537 177.390 1.147 25790 4448 1 12 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.239 1.269 25790 4449 1 12 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.777 -0.084 25790 4450 1 12 . 1 1 17 17 VAL H H 17 8.162 8.162 8.480 -0.318 25790 4451 1 12 . 1 1 18 18 GLN N N 18 119.489 119.489 119.899 -0.410 25790 4452 1 12 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.071 -0.014 25790 4453 1 12 . 1 1 18 18 GLN C C 18 180.429 180.429 178.408 2.021 25790 4454 1 12 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.084 0.615 25790 4455 1 12 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.264 0.922 25790 4456 1 12 . 1 1 18 18 GLN H H 18 8.451 8.451 8.071 0.380 25790 4457 1 12 . 1 1 19 19 PHE N N 19 117.940 117.940 118.583 -0.643 25790 4458 1 12 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.586 0.244 25790 4459 1 12 . 1 1 19 19 PHE C C 19 177.858 177.858 177.908 -0.050 25790 4460 1 12 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.005 -0.976 25790 4461 1 12 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.540 -2.635 25790 4462 1 12 . 1 1 19 19 PHE H H 19 8.924 8.924 8.611 0.313 25790 4463 1 12 . 1 1 20 20 GLN N N 20 120.297 120.297 121.354 -1.057 25790 4464 1 12 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.951 0.155 25790 4465 1 12 . 1 1 20 20 GLN C C 20 178.986 178.986 178.133 0.853 25790 4466 1 12 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.914 -0.351 25790 4467 1 12 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.579 -0.684 25790 4468 1 12 . 1 1 20 20 GLN H H 20 8.264 8.264 8.035 0.229 25790 4469 1 12 . 1 1 21 21 GLN N N 21 118.595 118.595 117.609 0.986 25790 4470 1 12 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.079 0.003 25790 4471 1 12 . 1 1 21 21 GLN C C 21 178.806 178.806 178.630 0.176 25790 4472 1 12 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.465 0.704 25790 4473 1 12 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.410 -0.214 25790 4474 1 12 . 1 1 21 21 GLN H H 21 8.527 8.527 7.912 0.615 25790 4475 1 12 . 1 1 22 22 TYR N N 22 119.594 119.594 121.377 -1.783 25790 4476 1 12 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.117 0.130 25790 4477 1 12 . 1 1 22 22 TYR C C 22 177.789 177.789 176.990 0.799 25790 4478 1 12 . 1 1 22 22 TYR CA C 22 61.712 61.712 61.070 0.642 25790 4479 1 12 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.498 0.226 25790 4480 1 12 . 1 1 22 22 TYR H H 22 7.843 7.843 7.593 0.250 25790 4481 1 12 . 1 1 23 23 ALA N N 23 120.663 120.663 120.868 -0.205 25790 4482 1 12 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.830 0.027 25790 4483 1 12 . 1 1 23 23 ALA C C 23 179.319 179.319 179.103 0.216 25790 4484 1 12 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.809 0.780 25790 4485 1 12 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.106 0.376 25790 4486 1 12 . 1 1 23 23 ALA H H 23 8.612 8.612 8.680 -0.068 25790 4487 1 12 . 1 1 24 24 ALA N N 24 119.002 119.002 119.520 -0.518 25790 4488 1 12 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.128 -0.190 25790 4489 1 12 . 1 1 24 24 ALA C C 24 178.987 178.987 178.630 0.357 25790 4490 1 12 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.122 0.195 25790 4491 1 12 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.459 -0.568 25790 4492 1 12 . 1 1 24 24 ALA H H 24 8.168 8.168 8.172 -0.004 25790 4493 1 12 . 1 1 25 25 GLN N N 25 115.599 115.599 116.227 -0.628 25790 4494 1 12 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.038 -0.034 25790 4495 1 12 . 1 1 25 25 GLN C C 25 177.818 177.818 177.481 0.337 25790 4496 1 12 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.019 -0.565 25790 4497 1 12 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.750 -0.295 25790 4498 1 12 . 1 1 25 25 GLN H H 25 7.300 7.300 7.510 -0.210 25790 4499 1 12 . 1 1 26 26 GLN N N 26 116.989 116.989 116.900 0.089 25790 4500 1 12 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.989 -0.285 25790 4501 1 12 . 1 1 26 26 GLN C C 26 175.979 175.979 176.337 -0.358 25790 4502 1 12 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.872 -0.084 25790 4503 1 12 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.181 -1.101 25790 4504 1 12 . 1 1 26 26 GLN H H 26 7.401 7.401 7.292 0.110 25790 4505 1 12 . 1 1 27 27 TYR N N 27 114.712 114.712 117.982 -3.270 25790 4506 1 12 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.967 0.111 25790 4507 1 12 . 1 1 27 27 TYR C C 27 172.931 172.931 173.666 -0.735 25790 4508 1 12 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.015 1.152 25790 4509 1 12 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.001 1.659 25790 4510 1 12 . 1 1 27 27 TYR H H 27 7.675 7.675 8.292 -0.617 25790 4511 1 12 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.425 -0.063 25790 4512 1 12 . 1 1 28 28 PRO C C 28 179.333 179.333 177.874 1.459 25790 4513 1 12 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.999 0.395 25790 4514 1 12 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.479 -1.225 25790 4515 1 12 . 1 1 29 29 GLY N N 29 110.091 110.091 113.067 -2.976 25790 4516 1 12 . 1 1 29 29 GLY C C 29 173.218 173.218 174.631 -1.413 25790 4517 1 12 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.321 0.591 25790 4518 1 12 . 1 1 29 29 GLY H H 29 8.826 8.826 8.720 0.106 25790 4519 1 12 . 1 1 30 30 ASN N N 30 118.603 118.603 121.913 -3.310 25790 4520 1 12 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.942 0.057 25790 4521 1 12 . 1 1 30 30 ASN C C 30 173.977 173.977 174.670 -0.693 25790 4522 1 12 . 1 1 30 30 ASN CA C 30 51.185 51.185 52.147 -0.962 25790 4523 1 12 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.006 0.420 25790 4524 1 12 . 1 1 30 30 ASN H H 30 7.293 7.293 7.764 -0.471 25790 4525 1 12 . 1 1 31 31 TYR N N 31 125.240 125.240 126.283 -1.043 25790 4526 1 12 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.306 -0.408 25790 4527 1 12 . 1 1 31 31 TYR C C 31 177.343 177.343 176.626 0.717 25790 4528 1 12 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.052 -0.241 25790 4529 1 12 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.878 -0.521 25790 4530 1 12 . 1 1 31 31 TYR H H 31 8.509 8.509 7.957 0.552 25790 4531 1 12 . 1 1 32 32 GLU N N 32 118.993 118.993 116.740 2.253 25790 4532 1 12 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.594 0.306 25790 4533 1 12 . 1 1 32 32 GLU C C 32 179.549 179.549 178.493 1.056 25790 4534 1 12 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.423 0.689 25790 4535 1 12 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.962 1.206 25790 4536 1 12 . 1 1 32 32 GLU H H 32 8.714 8.714 8.765 -0.051 25790 4537 1 12 . 1 1 33 33 GLN N N 33 117.037 117.037 118.604 -1.567 25790 4538 1 12 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.998 -0.265 25790 4539 1 12 . 1 1 33 33 GLN C C 33 179.119 179.119 178.738 0.381 25790 4540 1 12 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.378 -0.676 25790 4541 1 12 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.605 0.021 25790 4542 1 12 . 1 1 33 33 GLN H H 33 7.536 7.536 8.254 -0.718 25790 4543 1 12 . 1 1 34 34 GLN N N 34 117.723 117.723 119.808 -2.085 25790 4544 1 12 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.120 -0.309 25790 4545 1 12 . 1 1 34 34 GLN C C 34 177.634 177.634 178.634 -1.000 25790 4546 1 12 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.675 0.490 25790 4547 1 12 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.491 -0.990 25790 4548 1 12 . 1 1 34 34 GLN H H 34 7.968 7.968 8.597 -0.629 25790 4549 1 12 . 1 1 35 35 GLN N N 35 115.293 115.293 118.549 -3.256 25790 4550 1 12 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.078 -0.287 25790 4551 1 12 . 1 1 35 35 GLN C C 35 178.757 178.757 178.626 0.131 25790 4552 1 12 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.213 0.397 25790 4553 1 12 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.231 -0.026 25790 4554 1 12 . 1 1 35 35 GLN H H 35 7.870 7.870 7.624 0.246 25790 4555 1 12 . 1 1 36 36 ILE N N 36 120.769 120.769 121.059 -0.290 25790 4556 1 12 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.665 -0.101 25790 4557 1 12 . 1 1 36 36 ILE C C 36 178.273 178.273 178.166 0.107 25790 4558 1 12 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.212 0.024 25790 4559 1 12 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.736 0.637 25790 4560 1 12 . 1 1 36 36 ILE H H 36 7.503 7.503 7.774 -0.271 25790 4561 1 12 . 1 1 37 37 LEU N N 37 121.056 121.056 121.788 -0.732 25790 4562 1 12 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.064 0.245 25790 4563 1 12 . 1 1 37 37 LEU C C 37 178.348 178.348 178.235 0.113 25790 4564 1 12 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.248 -0.514 25790 4565 1 12 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.718 -0.202 25790 4566 1 12 . 1 1 37 37 LEU H H 37 7.678 7.678 8.395 -0.717 25790 4567 1 12 . 1 1 38 38 ILE N N 38 119.334 119.334 118.955 0.379 25790 4568 1 12 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.491 -0.150 25790 4569 1 12 . 1 1 38 38 ILE C C 38 177.371 177.371 177.941 -0.570 25790 4570 1 12 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.784 1.301 25790 4571 1 12 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.587 0.762 25790 4572 1 12 . 1 1 38 38 ILE H H 38 8.702 8.702 8.030 0.672 25790 4573 1 12 . 1 1 39 39 ARG N N 39 117.798 117.798 120.162 -2.364 25790 4574 1 12 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.952 0.263 25790 4575 1 12 . 1 1 39 39 ARG C C 39 179.555 179.555 178.759 0.796 25790 4576 1 12 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.620 -0.161 25790 4577 1 12 . 1 1 39 39 ARG CB C 39 29.752 29.752 30.080 -0.328 25790 4578 1 12 . 1 1 39 39 ARG H H 39 7.739 7.739 8.272 -0.533 25790 4579 1 12 . 1 1 40 40 GLN N N 40 119.432 119.432 119.150 0.282 25790 4580 1 12 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.147 -0.010 25790 4581 1 12 . 1 1 40 40 GLN C C 40 179.522 179.522 178.591 0.931 25790 4582 1 12 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.929 0.331 25790 4583 1 12 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.550 -0.192 25790 4584 1 12 . 1 1 40 40 GLN H H 40 7.811 7.811 7.822 -0.011 25790 4585 1 12 . 1 1 41 41 LEU N N 41 121.592 121.592 121.135 0.457 25790 4586 1 12 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.855 -0.168 25790 4587 1 12 . 1 1 41 41 LEU C C 41 178.974 178.974 179.528 -0.554 25790 4588 1 12 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.715 0.248 25790 4589 1 12 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.078 -1.226 25790 4590 1 12 . 1 1 41 41 LEU H H 41 8.648 8.648 8.600 0.048 25790 4591 1 12 . 1 1 42 42 GLN N N 42 119.054 119.054 117.498 1.556 25790 4592 1 12 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.135 0.409 25790 4593 1 12 . 1 1 42 42 GLN C C 42 180.176 180.176 178.562 1.614 25790 4594 1 12 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.314 -0.080 25790 4595 1 12 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.607 -0.687 25790 4596 1 12 . 1 1 42 42 GLN H H 42 8.641 8.641 8.563 0.078 25790 4597 1 12 . 1 1 43 43 GLU N N 43 121.517 121.517 121.125 0.392 25790 4598 1 12 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.057 0.179 25790 4599 1 12 . 1 1 43 43 GLU C C 43 179.721 179.721 178.961 0.760 25790 4600 1 12 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.343 0.324 25790 4601 1 12 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.554 -0.296 25790 4602 1 12 . 1 1 43 43 GLU H H 43 8.111 8.111 7.724 0.387 25790 4603 1 12 . 1 1 44 44 GLN N N 44 119.240 119.240 118.117 1.123 25790 4604 1 12 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.055 0.061 25790 4605 1 12 . 1 1 44 44 GLN C C 44 179.012 179.012 178.448 0.564 25790 4606 1 12 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.721 0.428 25790 4607 1 12 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.928 -0.074 25790 4608 1 12 . 1 1 44 44 GLN H H 44 8.372 8.372 8.264 0.108 25790 4609 1 12 . 1 1 45 45 HIS N N 45 121.705 121.705 119.738 1.967 25790 4610 1 12 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.381 -0.101 25790 4611 1 12 . 1 1 45 45 HIS C C 45 176.395 176.395 177.273 -0.878 25790 4612 1 12 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.563 0.796 25790 4613 1 12 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.403 1.922 25790 4614 1 12 . 1 1 45 45 HIS H H 45 9.472 9.472 8.363 1.109 25790 4615 1 12 . 1 1 46 46 TYR N N 46 119.039 119.039 121.060 -2.021 25790 4616 1 12 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.226 -0.377 25790 4617 1 12 . 1 1 46 46 TYR C C 46 176.664 176.664 178.009 -1.345 25790 4618 1 12 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.407 -0.156 25790 4619 1 12 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.340 -0.667 25790 4620 1 12 . 1 1 46 46 TYR H H 46 8.253 8.253 8.312 -0.059 25790 4621 1 12 . 1 1 47 47 GLN N N 47 116.407 116.407 117.657 -1.250 25790 4622 1 12 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.945 -0.161 25790 4623 1 12 . 1 1 47 47 GLN C C 47 179.048 179.048 178.369 0.679 25790 4624 1 12 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.332 -0.383 25790 4625 1 12 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.249 -0.068 25790 4626 1 12 . 1 1 47 47 GLN H H 47 7.814 7.814 7.841 -0.027 25790 4627 1 12 . 1 1 48 48 GLN N N 48 119.803 119.803 119.604 0.199 25790 4628 1 12 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.025 -0.048 25790 4629 1 12 . 1 1 48 48 GLN C C 48 177.741 177.741 178.225 -0.484 25790 4630 1 12 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.461 -0.147 25790 4631 1 12 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.387 -0.059 25790 4632 1 12 . 1 1 48 48 GLN H H 48 8.645 8.645 7.555 1.090 25790 4633 1 12 . 1 1 49 49 TYR N N 49 121.342 121.342 121.931 -0.589 25790 4634 1 12 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.096 -0.456 25790 4635 1 12 . 1 1 49 49 TYR C C 49 176.021 176.021 177.908 -1.887 25790 4636 1 12 . 1 1 49 49 TYR CA C 49 62.109 62.109 62.147 -0.038 25790 4637 1 12 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.376 0.531 25790 4638 1 12 . 1 1 49 49 TYR H H 49 9.105 9.105 8.496 0.609 25790 4639 1 12 . 1 1 50 50 MET N N 50 115.522 115.522 118.501 -2.979 25790 4640 1 12 . 1 1 50 50 MET HA H 50 4.040 4.040 3.868 0.172 25790 4641 1 12 . 1 1 50 50 MET C C 50 179.841 179.841 178.074 1.767 25790 4642 1 12 . 1 1 50 50 MET CA C 50 56.623 56.623 58.652 -2.029 25790 4643 1 12 . 1 1 50 50 MET CB C 50 30.099 30.099 32.418 -2.319 25790 4644 1 12 . 1 1 50 50 MET H H 50 8.060 8.060 8.483 -0.423 25790 4645 1 12 . 1 1 51 51 GLN N N 51 118.942 118.942 118.805 0.137 25790 4646 1 12 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.911 0.154 25790 4647 1 12 . 1 1 51 51 GLN C C 51 178.707 178.707 178.383 0.324 25790 4648 1 12 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.263 -0.322 25790 4649 1 12 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.652 -0.163 25790 4650 1 12 . 1 1 51 51 GLN H H 51 7.830 7.830 8.029 -0.199 25790 4651 1 12 . 1 1 52 52 GLN N N 52 119.210 119.210 120.019 -0.809 25790 4652 1 12 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.070 -0.013 25790 4653 1 12 . 1 1 52 52 GLN C C 52 178.738 178.738 178.488 0.250 25790 4654 1 12 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.345 0.404 25790 4655 1 12 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.330 0.073 25790 4656 1 12 . 1 1 52 52 GLN H H 52 8.187 8.187 8.214 -0.027 25790 4657 1 12 . 1 1 53 53 LEU N N 53 121.233 121.233 120.191 1.042 25790 4658 1 12 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.846 -0.005 25790 4659 1 12 . 1 1 53 53 LEU C C 53 179.191 179.191 178.709 0.482 25790 4660 1 12 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.557 0.188 25790 4661 1 12 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.608 0.258 25790 4662 1 12 . 1 1 53 53 LEU H H 53 8.441 8.441 8.150 0.291 25790 4663 1 12 . 1 1 54 54 TYR N N 54 118.505 118.505 119.651 -1.146 25790 4664 1 12 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.014 0.304 25790 4665 1 12 . 1 1 54 54 TYR C C 54 177.535 177.535 177.155 0.380 25790 4666 1 12 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.082 -1.605 25790 4667 1 12 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.033 -0.247 25790 4668 1 12 . 1 1 54 54 TYR H H 54 7.819 7.819 8.215 -0.396 25790 4669 1 12 . 1 1 55 55 GLN N N 55 117.299 117.299 118.274 -0.975 25790 4670 1 12 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.597 0.302 25790 4671 1 12 . 1 1 55 55 GLN C C 55 179.041 179.041 178.194 0.847 25790 4672 1 12 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.635 0.074 25790 4673 1 12 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.493 -0.278 25790 4674 1 12 . 1 1 55 55 GLN H H 55 7.735 7.735 7.577 0.158 25790 4675 1 12 . 1 1 56 56 VAL N N 56 120.879 120.879 120.951 -0.072 25790 4676 1 12 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.522 0.270 25790 4677 1 12 . 1 1 56 56 VAL C C 56 178.262 178.262 177.928 0.334 25790 4678 1 12 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.513 -0.571 25790 4679 1 12 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.279 0.600 25790 4680 1 12 . 1 1 56 56 VAL H H 56 8.014 8.014 8.019 -0.005 25790 4681 1 12 . 1 1 57 57 GLN N N 57 120.513 120.513 119.396 1.117 25790 4682 1 12 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.962 0.098 25790 4683 1 12 . 1 1 57 57 GLN C C 57 178.772 178.772 178.790 -0.018 25790 4684 1 12 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.419 -0.803 25790 4685 1 12 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.631 -0.646 25790 4686 1 12 . 1 1 57 57 GLN H H 57 8.103 8.103 7.945 0.158 25790 4687 1 12 . 1 1 58 58 LEU N N 58 121.244 121.244 119.595 1.649 25790 4688 1 12 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.903 0.102 25790 4689 1 12 . 1 1 58 58 LEU C C 58 179.134 179.134 178.529 0.605 25790 4690 1 12 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.249 0.257 25790 4691 1 12 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.289 0.514 25790 4692 1 12 . 1 1 58 58 LEU H H 58 8.176 8.176 7.862 0.314 25790 4693 1 12 . 1 1 59 59 ALA N N 59 121.608 121.608 121.965 -0.357 25790 4694 1 12 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.856 0.309 25790 4695 1 12 . 1 1 59 59 ALA C C 59 180.497 180.497 179.880 0.617 25790 4696 1 12 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.241 -0.659 25790 4697 1 12 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.971 0.082 25790 4698 1 12 . 1 1 59 59 ALA H H 59 7.833 7.833 8.162 -0.329 25790 4699 1 12 . 1 1 60 60 GLN N N 60 118.335 118.335 117.273 1.062 25790 4700 1 12 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.974 0.174 25790 4701 1 12 . 1 1 60 60 GLN C C 60 178.334 178.334 178.823 -0.489 25790 4702 1 12 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.721 -0.744 25790 4703 1 12 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.638 -0.203 25790 4704 1 12 . 1 1 60 60 GLN H H 60 8.081 8.081 7.755 0.326 25790 4705 1 12 . 1 1 61 61 GLN N N 61 120.206 120.206 119.264 0.942 25790 4706 1 12 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.993 0.169 25790 4707 1 12 . 1 1 61 61 GLN C C 61 178.002 178.002 178.428 -0.426 25790 4708 1 12 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.292 -1.387 25790 4709 1 12 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.614 -0.035 25790 4710 1 12 . 1 1 61 61 GLN H H 61 8.111 8.111 8.110 0.001 25790 4711 1 12 . 1 1 62 62 GLN N N 62 118.980 118.980 118.246 0.734 25790 4712 1 12 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.101 0.028 25790 4713 1 12 . 1 1 62 62 GLN C C 62 177.624 177.624 178.164 -0.540 25790 4714 1 12 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.492 -0.856 25790 4715 1 12 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.084 0.552 25790 4716 1 12 . 1 1 62 62 GLN H H 62 8.203 8.203 8.644 -0.441 25790 4717 1 12 . 1 1 63 63 ALA N N 63 122.712 122.712 122.780 -0.068 25790 4718 1 12 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.127 0.079 25790 4719 1 12 . 1 1 63 63 ALA C C 63 178.922 178.922 178.903 0.019 25790 4720 1 12 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.265 -0.369 25790 4721 1 12 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.134 0.326 25790 4722 1 12 . 1 1 63 63 ALA H H 63 8.004 8.004 7.670 0.334 25790 4723 1 12 . 1 1 64 64 ALA N N 64 120.813 120.813 121.151 -0.338 25790 4724 1 12 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.110 0.122 25790 4725 1 12 . 1 1 64 64 ALA C C 64 178.732 178.732 179.143 -0.411 25790 4726 1 12 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.043 -0.527 25790 4727 1 12 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.132 -0.502 25790 4728 1 12 . 1 1 64 64 ALA H H 64 7.837 7.837 7.714 0.123 25790 4729 1 12 . 1 1 65 65 LEU N N 65 119.196 119.196 118.063 1.133 25790 4730 1 12 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.063 0.194 25790 4731 1 12 . 1 1 65 65 LEU C C 65 178.038 178.038 177.382 0.656 25790 4732 1 12 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.924 -0.102 25790 4733 1 12 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.430 -0.166 25790 4734 1 12 . 1 1 65 65 LEU H H 65 7.765 7.765 8.037 -0.272 25790 4735 1 12 . 1 1 66 66 GLN N N 66 119.365 119.365 114.093 5.272 25790 4736 1 12 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.908 0.367 25790 4737 1 12 . 1 1 66 66 GLN C C 66 176.120 176.120 175.307 0.813 25790 4738 1 12 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.729 -0.662 25790 4739 1 12 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.034 3.098 25790 4740 1 12 . 1 1 66 66 GLN H H 66 7.967 7.967 7.738 0.229 25790 4741 1 12 . 1 1 67 67 LYS N N 67 121.521 121.521 118.667 2.854 25790 4742 1 12 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.412 -0.103 25790 4743 1 12 . 1 1 67 67 LYS C C 67 176.437 176.437 176.607 -0.170 25790 4744 1 12 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.552 0.837 25790 4745 1 12 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.654 0.387 25790 4746 1 12 . 1 1 67 67 LYS H H 67 8.053 8.053 8.350 -0.297 25790 4747 1 12 . 1 1 68 68 GLN N N 68 121.970 121.970 119.494 2.476 25790 4748 1 12 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.297 0.042 25790 4749 1 12 . 1 1 68 68 GLN C C 68 175.120 175.120 175.588 -0.468 25790 4750 1 12 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.925 0.075 25790 4751 1 12 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.864 2.634 25790 4752 1 12 . 1 1 68 68 GLN H H 68 8.314 8.314 8.343 -0.029 25790 4753 1 13 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.050 0.397 25790 4754 1 13 . 1 1 2 2 GLN C C 2 176.144 176.144 176.017 0.127 25790 4755 1 13 . 1 1 2 2 GLN CA C 2 56.209 56.209 57.034 -0.825 25790 4756 1 13 . 1 1 2 2 GLN CB C 2 29.459 29.459 27.868 1.591 25790 4757 1 13 . 1 1 3 3 GLN N N 3 122.052 122.052 118.445 3.607 25790 4758 1 13 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.100 0.223 25790 4759 1 13 . 1 1 3 3 GLN C C 3 176.988 176.988 177.440 -0.452 25790 4760 1 13 . 1 1 3 3 GLN CA C 3 57.403 57.403 57.563 -0.160 25790 4761 1 13 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.392 0.847 25790 4762 1 13 . 1 1 3 3 GLN H H 3 8.780 8.780 8.696 0.084 25790 4763 1 13 . 1 1 4 4 LYS N N 4 121.855 121.855 120.157 1.698 25790 4764 1 13 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.099 -0.095 25790 4765 1 13 . 1 1 4 4 LYS C C 4 177.638 177.638 178.930 -1.292 25790 4766 1 13 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.704 0.535 25790 4767 1 13 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.120 0.579 25790 4768 1 13 . 1 1 4 4 LYS H H 4 8.528 8.528 8.419 0.109 25790 4769 1 13 . 1 1 5 5 GLN N N 5 116.397 116.397 117.763 -1.366 25790 4770 1 13 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.045 -0.104 25790 4771 1 13 . 1 1 5 5 GLN C C 5 178.761 178.761 177.944 0.817 25790 4772 1 13 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.477 0.872 25790 4773 1 13 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.029 -0.079 25790 4774 1 13 . 1 1 5 5 GLN H H 5 8.223 8.223 7.921 0.302 25790 4775 1 13 . 1 1 6 6 GLN N N 6 119.262 119.262 119.510 -0.248 25790 4776 1 13 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.099 0.029 25790 4777 1 13 . 1 1 6 6 GLN C C 6 179.018 179.018 178.532 0.486 25790 4778 1 13 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.610 0.479 25790 4779 1 13 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.498 0.212 25790 4780 1 13 . 1 1 6 6 GLN H H 6 7.848 7.848 7.846 0.002 25790 4781 1 13 . 1 1 7 7 ILE N N 7 121.296 121.296 120.232 1.064 25790 4782 1 13 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.659 -0.076 25790 4783 1 13 . 1 1 7 7 ILE C C 7 177.833 177.833 177.763 0.070 25790 4784 1 13 . 1 1 7 7 ILE CA C 7 65.129 65.129 65.176 -0.047 25790 4785 1 13 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.581 0.625 25790 4786 1 13 . 1 1 7 7 ILE H H 7 8.095 8.095 7.392 0.703 25790 4787 1 13 . 1 1 8 8 MET N N 8 117.603 117.603 118.886 -1.283 25790 4788 1 13 . 1 1 8 8 MET HA H 8 3.985 3.985 4.035 -0.050 25790 4789 1 13 . 1 1 8 8 MET C C 8 177.355 177.355 178.533 -1.178 25790 4790 1 13 . 1 1 8 8 MET CA C 8 59.932 59.932 57.308 2.624 25790 4791 1 13 . 1 1 8 8 MET CB C 8 32.721 32.721 31.076 1.645 25790 4792 1 13 . 1 1 8 8 MET H H 8 8.672 8.672 7.467 1.205 25790 4793 1 13 . 1 1 9 9 ALA N N 9 118.774 118.774 121.169 -2.395 25790 4794 1 13 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.038 0.008 25790 4795 1 13 . 1 1 9 9 ALA C C 9 180.546 180.546 179.488 1.058 25790 4796 1 13 . 1 1 9 9 ALA CA C 9 55.385 55.385 54.925 0.460 25790 4797 1 13 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.097 -0.199 25790 4798 1 13 . 1 1 9 9 ALA H H 9 7.795 7.795 7.975 -0.180 25790 4799 1 13 . 1 1 10 10 ALA N N 10 120.854 120.854 121.633 -0.779 25790 4800 1 13 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.098 0.107 25790 4801 1 13 . 1 1 10 10 ALA C C 10 181.200 181.200 179.599 1.601 25790 4802 1 13 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.816 0.196 25790 4803 1 13 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.313 0.948 25790 4804 1 13 . 1 1 10 10 ALA H H 10 7.438 7.438 8.011 -0.573 25790 4805 1 13 . 1 1 11 11 LEU N N 11 120.775 120.775 118.686 2.089 25790 4806 1 13 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.857 -0.109 25790 4807 1 13 . 1 1 11 11 LEU C C 11 179.041 179.041 179.128 -0.087 25790 4808 1 13 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.959 0.387 25790 4809 1 13 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.460 -1.483 25790 4810 1 13 . 1 1 11 11 LEU H H 11 8.757 8.757 8.480 0.277 25790 4811 1 13 . 1 1 12 12 ASN N N 12 116.313 116.313 117.594 -1.281 25790 4812 1 13 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.734 -0.170 25790 4813 1 13 . 1 1 12 12 ASN C C 12 178.900 178.900 176.965 1.935 25790 4814 1 13 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.312 -2.247 25790 4815 1 13 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.504 -1.511 25790 4816 1 13 . 1 1 12 12 ASN H H 12 8.850 8.850 8.074 0.776 25790 4817 1 13 . 1 1 13 13 SER N N 13 114.747 114.747 114.130 0.617 25790 4818 1 13 . 1 1 13 13 SER HA H 13 4.370 4.370 4.302 0.068 25790 4819 1 13 . 1 1 13 13 SER C C 13 176.515 176.515 177.295 -0.780 25790 4820 1 13 . 1 1 13 13 SER CA C 13 61.141 61.141 60.757 0.384 25790 4821 1 13 . 1 1 13 13 SER CB C 13 63.044 63.044 62.936 0.108 25790 4822 1 13 . 1 1 13 13 SER H H 13 7.672 7.672 7.433 0.239 25790 4823 1 13 . 1 1 14 14 GLN N N 14 119.954 119.954 120.361 -0.407 25790 4824 1 13 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.115 0.103 25790 4825 1 13 . 1 1 14 14 GLN C C 14 178.208 178.208 177.511 0.697 25790 4826 1 13 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.649 -0.900 25790 4827 1 13 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.238 -0.538 25790 4828 1 13 . 1 1 14 14 GLN H H 14 7.573 7.573 8.123 -0.550 25790 4829 1 13 . 1 1 15 15 THR N N 15 107.493 107.493 108.033 -0.540 25790 4830 1 13 . 1 1 15 15 THR HA H 15 3.899 3.899 4.246 -0.347 25790 4831 1 13 . 1 1 15 15 THR C C 15 174.683 174.683 174.325 0.358 25790 4832 1 13 . 1 1 15 15 THR CA C 15 61.551 61.551 60.635 0.916 25790 4833 1 13 . 1 1 15 15 THR CB C 15 69.226 69.226 69.077 0.149 25790 4834 1 13 . 1 1 15 15 THR H H 15 7.741 7.741 7.913 -0.172 25790 4835 1 13 . 1 1 16 16 ALA N N 16 124.034 124.034 126.379 -2.345 25790 4836 1 13 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.996 0.139 25790 4837 1 13 . 1 1 16 16 ALA C C 16 179.899 179.899 178.924 0.975 25790 4838 1 13 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.534 0.673 25790 4839 1 13 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.006 0.718 25790 4840 1 13 . 1 1 16 16 ALA H H 16 6.873 6.873 7.137 -0.264 25790 4841 1 13 . 1 1 17 17 VAL N N 17 117.150 117.150 118.867 -1.717 25790 4842 1 13 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.736 -0.022 25790 4843 1 13 . 1 1 17 17 VAL C C 17 178.537 178.537 177.012 1.525 25790 4844 1 13 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.710 1.798 25790 4845 1 13 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.332 0.361 25790 4846 1 13 . 1 1 17 17 VAL H H 17 8.162 8.162 8.270 -0.108 25790 4847 1 13 . 1 1 18 18 GLN N N 18 119.489 119.489 120.601 -1.112 25790 4848 1 13 . 1 1 18 18 GLN HA H 18 4.057 4.057 3.983 0.074 25790 4849 1 13 . 1 1 18 18 GLN C C 18 180.429 180.429 178.288 2.141 25790 4850 1 13 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.014 0.685 25790 4851 1 13 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.353 0.833 25790 4852 1 13 . 1 1 18 18 GLN H H 18 8.451 8.451 8.276 0.175 25790 4853 1 13 . 1 1 19 19 PHE N N 19 117.940 117.940 117.575 0.365 25790 4854 1 13 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.582 0.248 25790 4855 1 13 . 1 1 19 19 PHE C C 19 177.858 177.858 178.021 -0.163 25790 4856 1 13 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.125 -1.096 25790 4857 1 13 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.520 -2.615 25790 4858 1 13 . 1 1 19 19 PHE H H 19 8.924 8.924 8.359 0.565 25790 4859 1 13 . 1 1 20 20 GLN N N 20 120.297 120.297 121.174 -0.877 25790 4860 1 13 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.944 0.162 25790 4861 1 13 . 1 1 20 20 GLN C C 20 178.986 178.986 178.290 0.696 25790 4862 1 13 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.899 -0.336 25790 4863 1 13 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.587 -0.692 25790 4864 1 13 . 1 1 20 20 GLN H H 20 8.264 8.264 8.319 -0.055 25790 4865 1 13 . 1 1 21 21 GLN N N 21 118.595 118.595 118.208 0.387 25790 4866 1 13 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.045 0.037 25790 4867 1 13 . 1 1 21 21 GLN C C 21 178.806 178.806 178.577 0.229 25790 4868 1 13 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.845 0.325 25790 4869 1 13 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.780 -0.585 25790 4870 1 13 . 1 1 21 21 GLN H H 21 8.527 8.527 8.218 0.309 25790 4871 1 13 . 1 1 22 22 TYR N N 22 119.594 119.594 121.052 -1.458 25790 4872 1 13 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.115 0.132 25790 4873 1 13 . 1 1 22 22 TYR C C 22 177.789 177.789 176.860 0.929 25790 4874 1 13 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.804 0.908 25790 4875 1 13 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.335 0.389 25790 4876 1 13 . 1 1 22 22 TYR H H 22 7.843 7.843 7.664 0.179 25790 4877 1 13 . 1 1 23 23 ALA N N 23 120.663 120.663 121.330 -0.667 25790 4878 1 13 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.599 0.258 25790 4879 1 13 . 1 1 23 23 ALA C C 23 179.319 179.319 178.604 0.715 25790 4880 1 13 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.807 0.782 25790 4881 1 13 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.189 0.293 25790 4882 1 13 . 1 1 23 23 ALA H H 23 8.612 8.612 8.660 -0.048 25790 4883 1 13 . 1 1 24 24 ALA N N 24 119.002 119.002 120.484 -1.482 25790 4884 1 13 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.124 -0.186 25790 4885 1 13 . 1 1 24 24 ALA C C 24 178.987 178.987 178.901 0.086 25790 4886 1 13 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.148 0.169 25790 4887 1 13 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.502 -0.611 25790 4888 1 13 . 1 1 24 24 ALA H H 24 8.168 8.168 8.186 -0.018 25790 4889 1 13 . 1 1 25 25 GLN N N 25 115.599 115.599 116.926 -1.327 25790 4890 1 13 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.045 -0.041 25790 4891 1 13 . 1 1 25 25 GLN C C 25 177.818 177.818 178.205 -0.387 25790 4892 1 13 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.157 -0.703 25790 4893 1 13 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.689 -0.234 25790 4894 1 13 . 1 1 25 25 GLN H H 25 7.300 7.300 7.578 -0.278 25790 4895 1 13 . 1 1 26 26 GLN N N 26 116.989 116.989 116.806 0.183 25790 4896 1 13 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.949 -0.245 25790 4897 1 13 . 1 1 26 26 GLN C C 26 175.979 175.979 176.353 -0.374 25790 4898 1 13 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.323 -0.535 25790 4899 1 13 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.962 -0.882 25790 4900 1 13 . 1 1 26 26 GLN H H 26 7.401 7.401 7.253 0.148 25790 4901 1 13 . 1 1 27 27 TYR N N 27 114.712 114.712 117.494 -2.782 25790 4902 1 13 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.953 0.125 25790 4903 1 13 . 1 1 27 27 TYR C C 27 172.931 172.931 173.629 -0.698 25790 4904 1 13 . 1 1 27 27 TYR CA C 27 55.167 55.167 53.993 1.174 25790 4905 1 13 . 1 1 27 27 TYR CB C 27 39.660 39.660 37.955 1.705 25790 4906 1 13 . 1 1 27 27 TYR H H 27 7.675 7.675 8.152 -0.477 25790 4907 1 13 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.541 -0.179 25790 4908 1 13 . 1 1 28 28 PRO C C 28 179.333 179.333 178.020 1.313 25790 4909 1 13 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.950 0.444 25790 4910 1 13 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.224 -0.970 25790 4911 1 13 . 1 1 29 29 GLY N N 29 110.091 110.091 112.286 -2.195 25790 4912 1 13 . 1 1 29 29 GLY C C 29 173.218 173.218 174.515 -1.297 25790 4913 1 13 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.300 0.612 25790 4914 1 13 . 1 1 29 29 GLY H H 29 8.826 8.826 8.850 -0.024 25790 4915 1 13 . 1 1 30 30 ASN N N 30 118.603 118.603 121.717 -3.114 25790 4916 1 13 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.018 -0.019 25790 4917 1 13 . 1 1 30 30 ASN C C 30 173.977 173.977 174.523 -0.546 25790 4918 1 13 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.945 -0.760 25790 4919 1 13 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.330 0.096 25790 4920 1 13 . 1 1 30 30 ASN H H 30 7.293 7.293 7.766 -0.473 25790 4921 1 13 . 1 1 31 31 TYR N N 31 125.240 125.240 125.969 -0.729 25790 4922 1 13 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.287 -0.389 25790 4923 1 13 . 1 1 31 31 TYR C C 31 177.343 177.343 176.634 0.709 25790 4924 1 13 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.965 -0.154 25790 4925 1 13 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.845 -0.488 25790 4926 1 13 . 1 1 31 31 TYR H H 31 8.509 8.509 8.105 0.404 25790 4927 1 13 . 1 1 32 32 GLU N N 32 118.993 118.993 116.804 2.189 25790 4928 1 13 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.623 0.277 25790 4929 1 13 . 1 1 32 32 GLU C C 32 179.549 179.549 178.732 0.817 25790 4930 1 13 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.227 0.884 25790 4931 1 13 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.193 0.975 25790 4932 1 13 . 1 1 32 32 GLU H H 32 8.714 8.714 8.752 -0.038 25790 4933 1 13 . 1 1 33 33 GLN N N 33 117.037 117.037 118.686 -1.649 25790 4934 1 13 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.977 -0.244 25790 4935 1 13 . 1 1 33 33 GLN C C 33 179.119 179.119 178.746 0.373 25790 4936 1 13 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.141 -0.439 25790 4937 1 13 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.605 0.021 25790 4938 1 13 . 1 1 33 33 GLN H H 33 7.536 7.536 7.619 -0.083 25790 4939 1 13 . 1 1 34 34 GLN N N 34 117.723 117.723 119.724 -2.001 25790 4940 1 13 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.099 -0.288 25790 4941 1 13 . 1 1 34 34 GLN C C 34 177.634 177.634 178.609 -0.975 25790 4942 1 13 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.588 0.577 25790 4943 1 13 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.463 -0.962 25790 4944 1 13 . 1 1 34 34 GLN H H 34 7.968 7.968 8.494 -0.526 25790 4945 1 13 . 1 1 35 35 GLN N N 35 115.293 115.293 118.529 -3.236 25790 4946 1 13 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.060 -0.269 25790 4947 1 13 . 1 1 35 35 GLN C C 35 178.757 178.757 178.588 0.169 25790 4948 1 13 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.203 0.407 25790 4949 1 13 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.223 -0.018 25790 4950 1 13 . 1 1 35 35 GLN H H 35 7.870 7.870 7.607 0.263 25790 4951 1 13 . 1 1 36 36 ILE N N 36 120.769 120.769 121.078 -0.309 25790 4952 1 13 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.653 -0.089 25790 4953 1 13 . 1 1 36 36 ILE C C 36 178.273 178.273 178.113 0.160 25790 4954 1 13 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.221 0.015 25790 4955 1 13 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.739 0.635 25790 4956 1 13 . 1 1 36 36 ILE H H 36 7.503 7.503 7.669 -0.166 25790 4957 1 13 . 1 1 37 37 LEU N N 37 121.056 121.056 121.970 -0.914 25790 4958 1 13 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.160 0.149 25790 4959 1 13 . 1 1 37 37 LEU C C 37 178.348 178.348 178.667 -0.319 25790 4960 1 13 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.920 -0.186 25790 4961 1 13 . 1 1 37 37 LEU CB C 37 41.516 41.516 42.108 -0.592 25790 4962 1 13 . 1 1 37 37 LEU H H 37 7.678 7.678 8.037 -0.359 25790 4963 1 13 . 1 1 38 38 ILE N N 38 119.334 119.334 119.023 0.311 25790 4964 1 13 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.468 -0.127 25790 4965 1 13 . 1 1 38 38 ILE C C 38 177.371 177.371 178.054 -0.683 25790 4966 1 13 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.580 1.505 25790 4967 1 13 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.547 0.802 25790 4968 1 13 . 1 1 38 38 ILE H H 38 8.702 8.702 8.093 0.609 25790 4969 1 13 . 1 1 39 39 ARG N N 39 117.798 117.798 118.846 -1.048 25790 4970 1 13 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.910 0.305 25790 4971 1 13 . 1 1 39 39 ARG C C 39 179.555 179.555 178.944 0.611 25790 4972 1 13 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.441 -0.982 25790 4973 1 13 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.953 -0.201 25790 4974 1 13 . 1 1 39 39 ARG H H 39 7.739 7.739 8.292 -0.553 25790 4975 1 13 . 1 1 40 40 GLN N N 40 119.432 119.432 118.616 0.816 25790 4976 1 13 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.122 0.015 25790 4977 1 13 . 1 1 40 40 GLN C C 40 179.522 179.522 178.504 1.018 25790 4978 1 13 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.541 0.719 25790 4979 1 13 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.764 -0.406 25790 4980 1 13 . 1 1 40 40 GLN H H 40 7.811 7.811 7.658 0.153 25790 4981 1 13 . 1 1 41 41 LEU N N 41 121.592 121.592 121.042 0.550 25790 4982 1 13 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.700 -0.013 25790 4983 1 13 . 1 1 41 41 LEU C C 41 178.974 178.974 178.945 0.029 25790 4984 1 13 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.903 0.060 25790 4985 1 13 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.947 -1.095 25790 4986 1 13 . 1 1 41 41 LEU H H 41 8.648 8.648 8.167 0.481 25790 4987 1 13 . 1 1 42 42 GLN N N 42 119.054 119.054 117.378 1.676 25790 4988 1 13 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.222 0.322 25790 4989 1 13 . 1 1 42 42 GLN C C 42 180.176 180.176 178.421 1.755 25790 4990 1 13 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.214 0.021 25790 4991 1 13 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.666 -0.746 25790 4992 1 13 . 1 1 42 42 GLN H H 42 8.641 8.641 8.363 0.278 25790 4993 1 13 . 1 1 43 43 GLU N N 43 121.517 121.517 120.793 0.724 25790 4994 1 13 . 1 1 43 43 GLU HA H 43 4.236 4.236 3.966 0.270 25790 4995 1 13 . 1 1 43 43 GLU C C 43 179.721 179.721 178.810 0.911 25790 4996 1 13 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.212 0.455 25790 4997 1 13 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.606 -0.348 25790 4998 1 13 . 1 1 43 43 GLU H H 43 8.111 8.111 7.804 0.307 25790 4999 1 13 . 1 1 44 44 GLN N N 44 119.240 119.240 117.500 1.740 25790 5000 1 13 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.126 -0.010 25790 5001 1 13 . 1 1 44 44 GLN C C 44 179.012 179.012 178.961 0.051 25790 5002 1 13 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.377 0.772 25790 5003 1 13 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.686 0.168 25790 5004 1 13 . 1 1 44 44 GLN H H 44 8.372 8.372 8.130 0.242 25790 5005 1 13 . 1 1 45 45 HIS N N 45 121.705 121.705 120.641 1.064 25790 5006 1 13 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.413 -0.133 25790 5007 1 13 . 1 1 45 45 HIS C C 45 176.395 176.395 177.275 -0.880 25790 5008 1 13 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.315 1.044 25790 5009 1 13 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.090 2.235 25790 5010 1 13 . 1 1 45 45 HIS H H 45 9.472 9.472 8.018 1.454 25790 5011 1 13 . 1 1 46 46 TYR N N 46 119.039 119.039 120.126 -1.087 25790 5012 1 13 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.169 -0.320 25790 5013 1 13 . 1 1 46 46 TYR C C 46 176.664 176.664 177.616 -0.952 25790 5014 1 13 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.860 0.391 25790 5015 1 13 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.240 -0.568 25790 5016 1 13 . 1 1 46 46 TYR H H 46 8.253 8.253 7.961 0.292 25790 5017 1 13 . 1 1 47 47 GLN N N 47 116.407 116.407 117.162 -0.755 25790 5018 1 13 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.878 -0.094 25790 5019 1 13 . 1 1 47 47 GLN C C 47 179.048 179.048 178.203 0.845 25790 5020 1 13 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.102 -0.153 25790 5021 1 13 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.298 -0.117 25790 5022 1 13 . 1 1 47 47 GLN H H 47 7.814 7.814 8.013 -0.199 25790 5023 1 13 . 1 1 48 48 GLN N N 48 119.803 119.803 119.590 0.213 25790 5024 1 13 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.011 -0.034 25790 5025 1 13 . 1 1 48 48 GLN C C 48 177.741 177.741 178.159 -0.418 25790 5026 1 13 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.533 -0.219 25790 5027 1 13 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.462 -0.134 25790 5028 1 13 . 1 1 48 48 GLN H H 48 8.645 8.645 7.742 0.903 25790 5029 1 13 . 1 1 49 49 TYR N N 49 121.342 121.342 121.386 -0.044 25790 5030 1 13 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.096 -0.456 25790 5031 1 13 . 1 1 49 49 TYR C C 49 176.021 176.021 177.651 -1.630 25790 5032 1 13 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.769 0.340 25790 5033 1 13 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.263 0.645 25790 5034 1 13 . 1 1 49 49 TYR H H 49 9.105 9.105 7.651 1.454 25790 5035 1 13 . 1 1 50 50 MET N N 50 115.522 115.522 118.199 -2.677 25790 5036 1 13 . 1 1 50 50 MET HA H 50 4.040 4.040 3.960 0.080 25790 5037 1 13 . 1 1 50 50 MET C C 50 179.841 179.841 178.095 1.746 25790 5038 1 13 . 1 1 50 50 MET CA C 50 56.623 56.623 58.487 -1.864 25790 5039 1 13 . 1 1 50 50 MET CB C 50 30.099 30.099 32.440 -2.341 25790 5040 1 13 . 1 1 50 50 MET H H 50 8.060 8.060 8.126 -0.066 25790 5041 1 13 . 1 1 51 51 GLN N N 51 118.942 118.942 118.781 0.161 25790 5042 1 13 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.925 0.140 25790 5043 1 13 . 1 1 51 51 GLN C C 51 178.707 178.707 178.238 0.469 25790 5044 1 13 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.209 -0.268 25790 5045 1 13 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.575 -0.086 25790 5046 1 13 . 1 1 51 51 GLN H H 51 7.830 7.830 8.009 -0.179 25790 5047 1 13 . 1 1 52 52 GLN N N 52 119.210 119.210 119.763 -0.553 25790 5048 1 13 . 1 1 52 52 GLN HA H 52 4.057 4.057 3.993 0.064 25790 5049 1 13 . 1 1 52 52 GLN C C 52 178.738 178.738 178.459 0.279 25790 5050 1 13 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.898 -0.148 25790 5051 1 13 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.519 -0.116 25790 5052 1 13 . 1 1 52 52 GLN H H 52 8.187 8.187 8.072 0.115 25790 5053 1 13 . 1 1 53 53 LEU N N 53 121.233 121.233 119.545 1.688 25790 5054 1 13 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.855 -0.014 25790 5055 1 13 . 1 1 53 53 LEU C C 53 179.191 179.191 178.866 0.325 25790 5056 1 13 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.621 0.124 25790 5057 1 13 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.703 0.163 25790 5058 1 13 . 1 1 53 53 LEU H H 53 8.441 8.441 7.774 0.667 25790 5059 1 13 . 1 1 54 54 TYR N N 54 118.505 118.505 119.006 -0.501 25790 5060 1 13 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.110 0.208 25790 5061 1 13 . 1 1 54 54 TYR C C 54 177.535 177.535 177.070 0.465 25790 5062 1 13 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.252 -0.775 25790 5063 1 13 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.952 -0.166 25790 5064 1 13 . 1 1 54 54 TYR H H 54 7.819 7.819 7.916 -0.097 25790 5065 1 13 . 1 1 55 55 GLN N N 55 117.299 117.299 118.207 -0.908 25790 5066 1 13 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.576 0.323 25790 5067 1 13 . 1 1 55 55 GLN C C 55 179.041 179.041 178.241 0.800 25790 5068 1 13 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.333 0.376 25790 5069 1 13 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.609 -0.394 25790 5070 1 13 . 1 1 55 55 GLN H H 55 7.735 7.735 7.605 0.130 25790 5071 1 13 . 1 1 56 56 VAL N N 56 120.879 120.879 121.293 -0.414 25790 5072 1 13 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.498 0.294 25790 5073 1 13 . 1 1 56 56 VAL C C 56 178.262 178.262 177.856 0.406 25790 5074 1 13 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.707 -0.765 25790 5075 1 13 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.288 0.591 25790 5076 1 13 . 1 1 56 56 VAL H H 56 8.014 8.014 8.118 -0.104 25790 5077 1 13 . 1 1 57 57 GLN N N 57 120.513 120.513 119.237 1.276 25790 5078 1 13 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.988 0.072 25790 5079 1 13 . 1 1 57 57 GLN C C 57 178.772 178.772 178.853 -0.081 25790 5080 1 13 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.238 -0.622 25790 5081 1 13 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.824 -0.839 25790 5082 1 13 . 1 1 57 57 GLN H H 57 8.103 8.103 7.988 0.115 25790 5083 1 13 . 1 1 58 58 LEU N N 58 121.244 121.244 119.643 1.601 25790 5084 1 13 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.913 0.092 25790 5085 1 13 . 1 1 58 58 LEU C C 58 179.134 179.134 178.493 0.641 25790 5086 1 13 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.363 0.143 25790 5087 1 13 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.368 0.435 25790 5088 1 13 . 1 1 58 58 LEU H H 58 8.176 8.176 7.684 0.492 25790 5089 1 13 . 1 1 59 59 ALA N N 59 121.608 121.608 121.863 -0.255 25790 5090 1 13 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.854 0.311 25790 5091 1 13 . 1 1 59 59 ALA C C 59 180.497 180.497 179.884 0.613 25790 5092 1 13 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.219 -0.637 25790 5093 1 13 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.959 0.094 25790 5094 1 13 . 1 1 59 59 ALA H H 59 7.833 7.833 8.113 -0.280 25790 5095 1 13 . 1 1 60 60 GLN N N 60 118.335 118.335 117.544 0.791 25790 5096 1 13 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.930 0.218 25790 5097 1 13 . 1 1 60 60 GLN C C 60 178.334 178.334 178.830 -0.496 25790 5098 1 13 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.879 -0.902 25790 5099 1 13 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.613 -0.177 25790 5100 1 13 . 1 1 60 60 GLN H H 60 8.081 8.081 8.013 0.068 25790 5101 1 13 . 1 1 61 61 GLN N N 61 120.206 120.206 119.034 1.172 25790 5102 1 13 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.975 0.187 25790 5103 1 13 . 1 1 61 61 GLN C C 61 178.002 178.002 178.495 -0.493 25790 5104 1 13 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.195 -1.290 25790 5105 1 13 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.697 -0.118 25790 5106 1 13 . 1 1 61 61 GLN H H 61 8.111 8.111 7.815 0.296 25790 5107 1 13 . 1 1 62 62 GLN N N 62 118.980 118.980 117.957 1.023 25790 5108 1 13 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.094 0.035 25790 5109 1 13 . 1 1 62 62 GLN C C 62 177.624 177.624 178.235 -0.611 25790 5110 1 13 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.475 -0.839 25790 5111 1 13 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.148 0.488 25790 5112 1 13 . 1 1 62 62 GLN H H 62 8.203 8.203 8.355 -0.152 25790 5113 1 13 . 1 1 63 63 ALA N N 63 122.712 122.712 122.854 -0.142 25790 5114 1 13 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.106 0.100 25790 5115 1 13 . 1 1 63 63 ALA C C 63 178.922 178.922 178.735 0.187 25790 5116 1 13 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.483 -0.587 25790 5117 1 13 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.134 0.325 25790 5118 1 13 . 1 1 63 63 ALA H H 63 8.004 8.004 7.909 0.095 25790 5119 1 13 . 1 1 64 64 ALA N N 64 120.813 120.813 118.926 1.887 25790 5120 1 13 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.228 0.004 25790 5121 1 13 . 1 1 64 64 ALA C C 64 178.732 178.732 178.688 0.044 25790 5122 1 13 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.455 0.061 25790 5123 1 13 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.514 -0.884 25790 5124 1 13 . 1 1 64 64 ALA H H 64 7.837 7.837 7.468 0.369 25790 5125 1 13 . 1 1 65 65 LEU N N 65 119.196 119.196 118.423 0.773 25790 5126 1 13 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.201 0.056 25790 5127 1 13 . 1 1 65 65 LEU C C 65 178.038 178.038 177.133 0.905 25790 5128 1 13 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.834 -0.012 25790 5129 1 13 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.733 -0.469 25790 5130 1 13 . 1 1 65 65 LEU H H 65 7.765 7.765 7.662 0.103 25790 5131 1 13 . 1 1 66 66 GLN N N 66 119.365 119.365 114.175 5.190 25790 5132 1 13 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.920 0.355 25790 5133 1 13 . 1 1 66 66 GLN C C 66 176.120 176.120 177.007 -0.887 25790 5134 1 13 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.418 -0.351 25790 5135 1 13 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.559 2.572 25790 5136 1 13 . 1 1 66 66 GLN H H 66 7.967 7.967 8.080 -0.113 25790 5137 1 13 . 1 1 67 67 LYS N N 67 121.521 121.521 119.184 2.337 25790 5138 1 13 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.259 0.050 25790 5139 1 13 . 1 1 67 67 LYS C C 67 176.437 176.437 176.253 0.184 25790 5140 1 13 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.875 0.514 25790 5141 1 13 . 1 1 67 67 LYS CB C 67 33.041 33.041 31.190 1.851 25790 5142 1 13 . 1 1 67 67 LYS H H 67 8.053 8.053 8.423 -0.370 25790 5143 1 13 . 1 1 68 68 GLN N N 68 121.970 121.970 119.162 2.808 25790 5144 1 13 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.525 -0.186 25790 5145 1 13 . 1 1 68 68 GLN C C 68 175.120 175.120 175.106 0.014 25790 5146 1 13 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.231 0.769 25790 5147 1 13 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.460 1.038 25790 5148 1 13 . 1 1 68 68 GLN H H 68 8.314 8.314 7.657 0.657 25790 5149 1 14 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.396 0.051 25790 5150 1 14 . 1 1 2 2 GLN C C 2 176.144 176.144 176.108 0.036 25790 5151 1 14 . 1 1 2 2 GLN CA C 2 56.209 56.209 57.165 -0.956 25790 5152 1 14 . 1 1 2 2 GLN CB C 2 29.459 29.459 30.529 -1.069 25790 5153 1 14 . 1 1 3 3 GLN N N 3 122.052 122.052 118.418 3.634 25790 5154 1 14 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.613 -0.290 25790 5155 1 14 . 1 1 3 3 GLN C C 3 176.988 176.988 176.207 0.781 25790 5156 1 14 . 1 1 3 3 GLN CA C 3 57.403 57.403 54.700 2.703 25790 5157 1 14 . 1 1 3 3 GLN CB C 3 29.239 29.239 31.576 -2.337 25790 5158 1 14 . 1 1 3 3 GLN H H 3 8.780 8.780 8.350 0.430 25790 5159 1 14 . 1 1 4 4 LYS N N 4 121.855 121.855 122.671 -0.816 25790 5160 1 14 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.093 -0.089 25790 5161 1 14 . 1 1 4 4 LYS C C 4 177.638 177.638 178.292 -0.654 25790 5162 1 14 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.818 0.421 25790 5163 1 14 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.555 0.144 25790 5164 1 14 . 1 1 4 4 LYS H H 4 8.528 8.528 8.840 -0.312 25790 5165 1 14 . 1 1 5 5 GLN N N 5 116.397 116.397 118.265 -1.868 25790 5166 1 14 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.008 -0.067 25790 5167 1 14 . 1 1 5 5 GLN C C 5 178.761 178.761 178.429 0.332 25790 5168 1 14 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.050 0.299 25790 5169 1 14 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.814 0.136 25790 5170 1 14 . 1 1 5 5 GLN H H 5 8.223 8.223 8.525 -0.302 25790 5171 1 14 . 1 1 6 6 GLN N N 6 119.262 119.262 119.405 -0.143 25790 5172 1 14 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.073 0.055 25790 5173 1 14 . 1 1 6 6 GLN C C 6 179.018 179.018 178.463 0.555 25790 5174 1 14 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.790 0.299 25790 5175 1 14 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.660 0.050 25790 5176 1 14 . 1 1 6 6 GLN H H 6 7.848 7.848 7.819 0.029 25790 5177 1 14 . 1 1 7 7 ILE N N 7 121.296 121.296 120.731 0.565 25790 5178 1 14 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.702 -0.119 25790 5179 1 14 . 1 1 7 7 ILE C C 7 177.833 177.833 177.812 0.021 25790 5180 1 14 . 1 1 7 7 ILE CA C 7 65.129 65.129 65.108 0.021 25790 5181 1 14 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.889 0.318 25790 5182 1 14 . 1 1 7 7 ILE H H 7 8.095 8.095 7.502 0.593 25790 5183 1 14 . 1 1 8 8 MET N N 8 117.603 117.603 119.013 -1.410 25790 5184 1 14 . 1 1 8 8 MET HA H 8 3.985 3.985 4.052 -0.067 25790 5185 1 14 . 1 1 8 8 MET C C 8 177.355 177.355 178.666 -1.311 25790 5186 1 14 . 1 1 8 8 MET CA C 8 59.932 59.932 57.495 2.437 25790 5187 1 14 . 1 1 8 8 MET CB C 8 32.721 32.721 31.056 1.665 25790 5188 1 14 . 1 1 8 8 MET H H 8 8.672 8.672 7.916 0.756 25790 5189 1 14 . 1 1 9 9 ALA N N 9 118.774 118.774 121.450 -2.676 25790 5190 1 14 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.000 0.046 25790 5191 1 14 . 1 1 9 9 ALA C C 9 180.546 180.546 179.293 1.253 25790 5192 1 14 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.174 0.211 25790 5193 1 14 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.978 -0.080 25790 5194 1 14 . 1 1 9 9 ALA H H 9 7.795 7.795 8.384 -0.589 25790 5195 1 14 . 1 1 10 10 ALA N N 10 120.854 120.854 121.731 -0.877 25790 5196 1 14 . 1 1 10 10 ALA HA H 10 4.205 4.205 3.942 0.263 25790 5197 1 14 . 1 1 10 10 ALA C C 10 181.200 181.200 179.370 1.830 25790 5198 1 14 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.974 0.038 25790 5199 1 14 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.433 0.828 25790 5200 1 14 . 1 1 10 10 ALA H H 10 7.438 7.438 7.645 -0.207 25790 5201 1 14 . 1 1 11 11 LEU N N 11 120.775 120.775 118.937 1.838 25790 5202 1 14 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.700 0.048 25790 5203 1 14 . 1 1 11 11 LEU C C 11 179.041 179.041 179.294 -0.253 25790 5204 1 14 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.978 0.368 25790 5205 1 14 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.375 -1.398 25790 5206 1 14 . 1 1 11 11 LEU H H 11 8.757 8.757 8.294 0.463 25790 5207 1 14 . 1 1 12 12 ASN N N 12 116.313 116.313 117.421 -1.108 25790 5208 1 14 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.581 -0.017 25790 5209 1 14 . 1 1 12 12 ASN C C 12 178.900 178.900 177.319 1.581 25790 5210 1 14 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.357 -2.292 25790 5211 1 14 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.590 -1.597 25790 5212 1 14 . 1 1 12 12 ASN H H 12 8.850 8.850 8.396 0.454 25790 5213 1 14 . 1 1 13 13 SER N N 13 114.747 114.747 115.620 -0.873 25790 5214 1 14 . 1 1 13 13 SER HA H 13 4.370 4.370 4.239 0.131 25790 5215 1 14 . 1 1 13 13 SER C C 13 176.515 176.515 177.050 -0.535 25790 5216 1 14 . 1 1 13 13 SER CA C 13 61.141 61.141 61.611 -0.470 25790 5217 1 14 . 1 1 13 13 SER CB C 13 63.044 63.044 63.096 -0.053 25790 5218 1 14 . 1 1 13 13 SER H H 13 7.672 7.672 7.807 -0.135 25790 5219 1 14 . 1 1 14 14 GLN N N 14 119.954 119.954 119.605 0.349 25790 5220 1 14 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.088 0.130 25790 5221 1 14 . 1 1 14 14 GLN C C 14 178.208 178.208 177.479 0.729 25790 5222 1 14 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.992 -0.243 25790 5223 1 14 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.704 -0.004 25790 5224 1 14 . 1 1 14 14 GLN H H 14 7.573 7.573 8.189 -0.616 25790 5225 1 14 . 1 1 15 15 THR N N 15 107.493 107.493 105.162 2.331 25790 5226 1 14 . 1 1 15 15 THR HA H 15 3.899 3.899 4.430 -0.531 25790 5227 1 14 . 1 1 15 15 THR C C 15 174.683 174.683 174.202 0.481 25790 5228 1 14 . 1 1 15 15 THR CA C 15 61.551 61.551 60.011 1.540 25790 5229 1 14 . 1 1 15 15 THR CB C 15 69.226 69.226 69.407 -0.181 25790 5230 1 14 . 1 1 15 15 THR H H 15 7.741 7.741 7.476 0.265 25790 5231 1 14 . 1 1 16 16 ALA N N 16 124.034 124.034 126.263 -2.229 25790 5232 1 14 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.979 0.156 25790 5233 1 14 . 1 1 16 16 ALA C C 16 179.899 179.899 178.772 1.127 25790 5234 1 14 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.615 0.592 25790 5235 1 14 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.247 0.477 25790 5236 1 14 . 1 1 16 16 ALA H H 16 6.873 6.873 7.169 -0.296 25790 5237 1 14 . 1 1 17 17 VAL N N 17 117.150 117.150 118.491 -1.341 25790 5238 1 14 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.737 -0.023 25790 5239 1 14 . 1 1 17 17 VAL C C 17 178.537 178.537 177.013 1.524 25790 5240 1 14 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.162 1.346 25790 5241 1 14 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.674 0.019 25790 5242 1 14 . 1 1 17 17 VAL H H 17 8.162 8.162 8.384 -0.222 25790 5243 1 14 . 1 1 18 18 GLN N N 18 119.489 119.489 119.915 -0.426 25790 5244 1 14 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.052 0.005 25790 5245 1 14 . 1 1 18 18 GLN C C 18 180.429 180.429 177.986 2.443 25790 5246 1 14 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.012 0.687 25790 5247 1 14 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.401 0.785 25790 5248 1 14 . 1 1 18 18 GLN H H 18 8.451 8.451 8.114 0.337 25790 5249 1 14 . 1 1 19 19 PHE N N 19 117.940 117.940 117.667 0.273 25790 5250 1 14 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.587 0.243 25790 5251 1 14 . 1 1 19 19 PHE C C 19 177.858 177.858 178.064 -0.206 25790 5252 1 14 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.000 -0.971 25790 5253 1 14 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.324 -2.419 25790 5254 1 14 . 1 1 19 19 PHE H H 19 8.924 8.924 8.592 0.332 25790 5255 1 14 . 1 1 20 20 GLN N N 20 120.297 120.297 121.322 -1.025 25790 5256 1 14 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.973 0.133 25790 5257 1 14 . 1 1 20 20 GLN C C 20 178.986 178.986 178.222 0.764 25790 5258 1 14 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.903 -0.340 25790 5259 1 14 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.524 -0.629 25790 5260 1 14 . 1 1 20 20 GLN H H 20 8.264 8.264 8.092 0.172 25790 5261 1 14 . 1 1 21 21 GLN N N 21 118.595 118.595 118.601 -0.006 25790 5262 1 14 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.043 0.039 25790 5263 1 14 . 1 1 21 21 GLN C C 21 178.806 178.806 178.674 0.132 25790 5264 1 14 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.936 0.234 25790 5265 1 14 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.784 -0.588 25790 5266 1 14 . 1 1 21 21 GLN H H 21 8.527 8.527 8.231 0.296 25790 5267 1 14 . 1 1 22 22 TYR N N 22 119.594 119.594 120.538 -0.944 25790 5268 1 14 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.125 0.122 25790 5269 1 14 . 1 1 22 22 TYR C C 22 177.789 177.789 176.844 0.945 25790 5270 1 14 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.787 0.925 25790 5271 1 14 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.373 0.351 25790 5272 1 14 . 1 1 22 22 TYR H H 22 7.843 7.843 7.711 0.132 25790 5273 1 14 . 1 1 23 23 ALA N N 23 120.663 120.663 121.422 -0.759 25790 5274 1 14 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.621 0.236 25790 5275 1 14 . 1 1 23 23 ALA C C 23 179.319 179.319 178.715 0.604 25790 5276 1 14 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.954 0.635 25790 5277 1 14 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.218 0.264 25790 5278 1 14 . 1 1 23 23 ALA H H 23 8.612 8.612 8.584 0.028 25790 5279 1 14 . 1 1 24 24 ALA N N 24 119.002 119.002 120.285 -1.283 25790 5280 1 14 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.089 -0.151 25790 5281 1 14 . 1 1 24 24 ALA C C 24 178.987 178.987 178.970 0.017 25790 5282 1 14 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.208 0.109 25790 5283 1 14 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.442 -0.551 25790 5284 1 14 . 1 1 24 24 ALA H H 24 8.168 8.168 8.207 -0.039 25790 5285 1 14 . 1 1 25 25 GLN N N 25 115.599 115.599 116.272 -0.673 25790 5286 1 14 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.037 -0.033 25790 5287 1 14 . 1 1 25 25 GLN C C 25 177.818 177.818 177.734 0.084 25790 5288 1 14 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.169 -0.716 25790 5289 1 14 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.841 -0.386 25790 5290 1 14 . 1 1 25 25 GLN H H 25 7.300 7.300 7.527 -0.227 25790 5291 1 14 . 1 1 26 26 GLN N N 26 116.989 116.989 116.439 0.550 25790 5292 1 14 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.970 -0.266 25790 5293 1 14 . 1 1 26 26 GLN C C 26 175.979 175.979 175.921 0.058 25790 5294 1 14 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.757 0.031 25790 5295 1 14 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.926 -0.846 25790 5296 1 14 . 1 1 26 26 GLN H H 26 7.401 7.401 7.186 0.215 25790 5297 1 14 . 1 1 27 27 TYR N N 27 114.712 114.712 118.164 -3.452 25790 5298 1 14 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.980 0.098 25790 5299 1 14 . 1 1 27 27 TYR C C 27 172.931 172.931 173.759 -0.828 25790 5300 1 14 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.278 0.889 25790 5301 1 14 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.205 1.455 25790 5302 1 14 . 1 1 27 27 TYR H H 27 7.675 7.675 8.237 -0.562 25790 5303 1 14 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.565 -0.203 25790 5304 1 14 . 1 1 28 28 PRO C C 28 179.333 179.333 178.040 1.293 25790 5305 1 14 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.791 0.603 25790 5306 1 14 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.148 -0.894 25790 5307 1 14 . 1 1 29 29 GLY N N 29 110.091 110.091 112.450 -2.359 25790 5308 1 14 . 1 1 29 29 GLY C C 29 173.218 173.218 174.292 -1.074 25790 5309 1 14 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.286 0.626 25790 5310 1 14 . 1 1 29 29 GLY H H 29 8.826 8.826 8.901 -0.075 25790 5311 1 14 . 1 1 30 30 ASN N N 30 118.603 118.603 121.005 -2.402 25790 5312 1 14 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.054 -0.055 25790 5313 1 14 . 1 1 30 30 ASN C C 30 173.977 173.977 174.334 -0.357 25790 5314 1 14 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.919 -0.733 25790 5315 1 14 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.617 -0.192 25790 5316 1 14 . 1 1 30 30 ASN H H 30 7.293 7.293 7.762 -0.469 25790 5317 1 14 . 1 1 31 31 TYR N N 31 125.240 125.240 125.009 0.231 25790 5318 1 14 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.017 -0.119 25790 5319 1 14 . 1 1 31 31 TYR C C 31 177.343 177.343 176.597 0.746 25790 5320 1 14 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.908 -1.097 25790 5321 1 14 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.991 -0.634 25790 5322 1 14 . 1 1 31 31 TYR H H 31 8.509 8.509 8.286 0.223 25790 5323 1 14 . 1 1 32 32 GLU N N 32 118.993 118.993 117.248 1.745 25790 5324 1 14 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.571 0.329 25790 5325 1 14 . 1 1 32 32 GLU C C 32 179.549 179.549 178.733 0.816 25790 5326 1 14 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.075 1.037 25790 5327 1 14 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.275 0.893 25790 5328 1 14 . 1 1 32 32 GLU H H 32 8.714 8.714 8.835 -0.121 25790 5329 1 14 . 1 1 33 33 GLN N N 33 117.037 117.037 119.112 -2.075 25790 5330 1 14 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.935 -0.202 25790 5331 1 14 . 1 1 33 33 GLN C C 33 179.119 179.119 178.691 0.428 25790 5332 1 14 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.295 -0.593 25790 5333 1 14 . 1 1 33 33 GLN CB C 33 27.626 27.626 28.101 -0.475 25790 5334 1 14 . 1 1 33 33 GLN H H 33 7.536 7.536 7.600 -0.064 25790 5335 1 14 . 1 1 34 34 GLN N N 34 117.723 117.723 119.662 -1.939 25790 5336 1 14 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.104 -0.293 25790 5337 1 14 . 1 1 34 34 GLN C C 34 177.634 177.634 178.615 -0.981 25790 5338 1 14 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.581 0.584 25790 5339 1 14 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.588 -1.087 25790 5340 1 14 . 1 1 34 34 GLN H H 34 7.968 7.968 8.350 -0.382 25790 5341 1 14 . 1 1 35 35 GLN N N 35 115.293 115.293 118.130 -2.837 25790 5342 1 14 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.080 -0.289 25790 5343 1 14 . 1 1 35 35 GLN C C 35 178.757 178.757 178.694 0.063 25790 5344 1 14 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.025 0.585 25790 5345 1 14 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.277 -0.072 25790 5346 1 14 . 1 1 35 35 GLN H H 35 7.870 7.870 7.582 0.287 25790 5347 1 14 . 1 1 36 36 ILE N N 36 120.769 120.769 120.716 0.053 25790 5348 1 14 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.687 -0.123 25790 5349 1 14 . 1 1 36 36 ILE C C 36 178.273 178.273 178.044 0.229 25790 5350 1 14 . 1 1 36 36 ILE CA C 36 65.236 65.236 64.998 0.238 25790 5351 1 14 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.874 0.499 25790 5352 1 14 . 1 1 36 36 ILE H H 36 7.503 7.503 7.551 -0.048 25790 5353 1 14 . 1 1 37 37 LEU N N 37 121.056 121.056 121.697 -0.641 25790 5354 1 14 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.085 0.224 25790 5355 1 14 . 1 1 37 37 LEU C C 37 178.348 178.348 178.497 -0.149 25790 5356 1 14 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.148 -0.414 25790 5357 1 14 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.790 -0.274 25790 5358 1 14 . 1 1 37 37 LEU H H 37 7.678 7.678 8.149 -0.471 25790 5359 1 14 . 1 1 38 38 ILE N N 38 119.334 119.334 117.759 1.575 25790 5360 1 14 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.546 -0.205 25790 5361 1 14 . 1 1 38 38 ILE C C 38 177.371 177.371 177.762 -0.391 25790 5362 1 14 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.495 1.590 25790 5363 1 14 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.473 0.876 25790 5364 1 14 . 1 1 38 38 ILE H H 38 8.702 8.702 7.726 0.976 25790 5365 1 14 . 1 1 39 39 ARG N N 39 117.798 117.798 118.800 -1.002 25790 5366 1 14 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.977 0.238 25790 5367 1 14 . 1 1 39 39 ARG C C 39 179.555 179.555 178.953 0.602 25790 5368 1 14 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.154 -0.695 25790 5369 1 14 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.749 0.003 25790 5370 1 14 . 1 1 39 39 ARG H H 39 7.739 7.739 7.649 0.090 25790 5371 1 14 . 1 1 40 40 GLN N N 40 119.432 119.432 118.767 0.665 25790 5372 1 14 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.143 -0.006 25790 5373 1 14 . 1 1 40 40 GLN C C 40 179.522 179.522 178.588 0.934 25790 5374 1 14 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.043 0.217 25790 5375 1 14 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.078 0.280 25790 5376 1 14 . 1 1 40 40 GLN H H 40 7.811 7.811 7.774 0.037 25790 5377 1 14 . 1 1 41 41 LEU N N 41 121.592 121.592 121.092 0.500 25790 5378 1 14 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.754 -0.067 25790 5379 1 14 . 1 1 41 41 LEU C C 41 178.974 178.974 179.243 -0.269 25790 5380 1 14 . 1 1 41 41 LEU CA C 41 57.963 57.963 58.279 -0.316 25790 5381 1 14 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.045 -1.193 25790 5382 1 14 . 1 1 41 41 LEU H H 41 8.648 8.648 8.242 0.406 25790 5383 1 14 . 1 1 42 42 GLN N N 42 119.054 119.054 117.167 1.887 25790 5384 1 14 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.262 0.282 25790 5385 1 14 . 1 1 42 42 GLN C C 42 180.176 180.176 178.873 1.303 25790 5386 1 14 . 1 1 42 42 GLN CA C 42 59.234 59.234 58.900 0.334 25790 5387 1 14 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.244 -0.324 25790 5388 1 14 . 1 1 42 42 GLN H H 42 8.641 8.641 8.480 0.161 25790 5389 1 14 . 1 1 43 43 GLU N N 43 121.517 121.517 120.787 0.730 25790 5390 1 14 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.034 0.202 25790 5391 1 14 . 1 1 43 43 GLU C C 43 179.721 179.721 178.997 0.724 25790 5392 1 14 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.162 0.505 25790 5393 1 14 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.531 -0.273 25790 5394 1 14 . 1 1 43 43 GLU H H 43 8.111 8.111 7.918 0.193 25790 5395 1 14 . 1 1 44 44 GLN N N 44 119.240 119.240 118.191 1.049 25790 5396 1 14 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.055 0.061 25790 5397 1 14 . 1 1 44 44 GLN C C 44 179.012 179.012 178.973 0.039 25790 5398 1 14 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.743 0.406 25790 5399 1 14 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.712 0.142 25790 5400 1 14 . 1 1 44 44 GLN H H 44 8.372 8.372 7.847 0.525 25790 5401 1 14 . 1 1 45 45 HIS N N 45 121.705 121.705 118.762 2.943 25790 5402 1 14 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.451 -0.171 25790 5403 1 14 . 1 1 45 45 HIS C C 45 176.395 176.395 177.288 -0.893 25790 5404 1 14 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.434 0.925 25790 5405 1 14 . 1 1 45 45 HIS CB C 45 32.325 32.325 29.903 2.422 25790 5406 1 14 . 1 1 45 45 HIS H H 45 9.472 9.472 8.425 1.047 25790 5407 1 14 . 1 1 46 46 TYR N N 46 119.039 119.039 121.091 -2.052 25790 5408 1 14 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.191 -0.342 25790 5409 1 14 . 1 1 46 46 TYR C C 46 176.664 176.664 177.497 -0.833 25790 5410 1 14 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.933 0.318 25790 5411 1 14 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.274 -0.602 25790 5412 1 14 . 1 1 46 46 TYR H H 46 8.253 8.253 7.937 0.316 25790 5413 1 14 . 1 1 47 47 GLN N N 47 116.407 116.407 117.216 -0.809 25790 5414 1 14 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.904 -0.120 25790 5415 1 14 . 1 1 47 47 GLN C C 47 179.048 179.048 178.150 0.898 25790 5416 1 14 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.542 -0.593 25790 5417 1 14 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.272 -0.091 25790 5418 1 14 . 1 1 47 47 GLN H H 47 7.814 7.814 7.871 -0.057 25790 5419 1 14 . 1 1 48 48 GLN N N 48 119.803 119.803 119.573 0.230 25790 5420 1 14 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.076 -0.099 25790 5421 1 14 . 1 1 48 48 GLN C C 48 177.741 177.741 178.341 -0.600 25790 5422 1 14 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.718 -0.404 25790 5423 1 14 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.520 -0.192 25790 5424 1 14 . 1 1 48 48 GLN H H 48 8.645 8.645 7.823 0.822 25790 5425 1 14 . 1 1 49 49 TYR N N 49 121.342 121.342 121.441 -0.099 25790 5426 1 14 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.228 -0.588 25790 5427 1 14 . 1 1 49 49 TYR C C 49 176.021 176.021 177.704 -1.683 25790 5428 1 14 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.582 0.527 25790 5429 1 14 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.220 0.687 25790 5430 1 14 . 1 1 49 49 TYR H H 49 9.105 9.105 7.860 1.245 25790 5431 1 14 . 1 1 50 50 MET N N 50 115.522 115.522 118.596 -3.074 25790 5432 1 14 . 1 1 50 50 MET HA H 50 4.040 4.040 3.860 0.180 25790 5433 1 14 . 1 1 50 50 MET C C 50 179.841 179.841 178.046 1.795 25790 5434 1 14 . 1 1 50 50 MET CA C 50 56.623 56.623 59.104 -2.481 25790 5435 1 14 . 1 1 50 50 MET CB C 50 30.099 30.099 32.164 -2.065 25790 5436 1 14 . 1 1 50 50 MET H H 50 8.060 8.060 7.979 0.081 25790 5437 1 14 . 1 1 51 51 GLN N N 51 118.942 118.942 118.142 0.800 25790 5438 1 14 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.953 0.112 25790 5439 1 14 . 1 1 51 51 GLN C C 51 178.707 178.707 178.451 0.256 25790 5440 1 14 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.171 -0.230 25790 5441 1 14 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.284 0.205 25790 5442 1 14 . 1 1 51 51 GLN H H 51 7.830 7.830 7.722 0.108 25790 5443 1 14 . 1 1 52 52 GLN N N 52 119.210 119.210 120.378 -1.168 25790 5444 1 14 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.030 0.027 25790 5445 1 14 . 1 1 52 52 GLN C C 52 178.738 178.738 178.234 0.504 25790 5446 1 14 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.696 0.053 25790 5447 1 14 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.590 -0.187 25790 5448 1 14 . 1 1 52 52 GLN H H 52 8.187 8.187 8.008 0.179 25790 5449 1 14 . 1 1 53 53 LEU N N 53 121.233 121.233 119.964 1.269 25790 5450 1 14 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.751 0.090 25790 5451 1 14 . 1 1 53 53 LEU C C 53 179.191 179.191 178.709 0.482 25790 5452 1 14 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.648 0.097 25790 5453 1 14 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.573 0.293 25790 5454 1 14 . 1 1 53 53 LEU H H 53 8.441 8.441 8.062 0.379 25790 5455 1 14 . 1 1 54 54 TYR N N 54 118.505 118.505 119.375 -0.870 25790 5456 1 14 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.011 0.307 25790 5457 1 14 . 1 1 54 54 TYR C C 54 177.535 177.535 177.113 0.422 25790 5458 1 14 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.627 -1.150 25790 5459 1 14 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.910 -0.124 25790 5460 1 14 . 1 1 54 54 TYR H H 54 7.819 7.819 7.883 -0.064 25790 5461 1 14 . 1 1 55 55 GLN N N 55 117.299 117.299 117.659 -0.360 25790 5462 1 14 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.643 0.256 25790 5463 1 14 . 1 1 55 55 GLN C C 55 179.041 179.041 178.324 0.717 25790 5464 1 14 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.460 0.249 25790 5465 1 14 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.552 -0.337 25790 5466 1 14 . 1 1 55 55 GLN H H 55 7.735 7.735 7.558 0.177 25790 5467 1 14 . 1 1 56 56 VAL N N 56 120.879 120.879 120.774 0.105 25790 5468 1 14 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.602 0.190 25790 5469 1 14 . 1 1 56 56 VAL C C 56 178.262 178.262 178.070 0.192 25790 5470 1 14 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.275 -0.333 25790 5471 1 14 . 1 1 56 56 VAL CB C 56 31.879 31.879 30.801 1.078 25790 5472 1 14 . 1 1 56 56 VAL H H 56 8.014 8.014 8.023 -0.009 25790 5473 1 14 . 1 1 57 57 GLN N N 57 120.513 120.513 118.893 1.620 25790 5474 1 14 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.991 0.069 25790 5475 1 14 . 1 1 57 57 GLN C C 57 178.772 178.772 179.053 -0.281 25790 5476 1 14 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.207 -0.591 25790 5477 1 14 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.685 -0.700 25790 5478 1 14 . 1 1 57 57 GLN H H 57 8.103 8.103 8.124 -0.021 25790 5479 1 14 . 1 1 58 58 LEU N N 58 121.244 121.244 119.349 1.895 25790 5480 1 14 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.919 0.086 25790 5481 1 14 . 1 1 58 58 LEU C C 58 179.134 179.134 178.633 0.501 25790 5482 1 14 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.239 0.267 25790 5483 1 14 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.387 0.416 25790 5484 1 14 . 1 1 58 58 LEU H H 58 8.176 8.176 7.657 0.519 25790 5485 1 14 . 1 1 59 59 ALA N N 59 121.608 121.608 122.059 -0.451 25790 5486 1 14 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.905 0.260 25790 5487 1 14 . 1 1 59 59 ALA C C 59 180.497 180.497 179.715 0.782 25790 5488 1 14 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.936 -0.354 25790 5489 1 14 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.301 -0.248 25790 5490 1 14 . 1 1 59 59 ALA H H 59 7.833 7.833 8.079 -0.246 25790 5491 1 14 . 1 1 60 60 GLN N N 60 118.335 118.335 117.357 0.978 25790 5492 1 14 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.979 0.169 25790 5493 1 14 . 1 1 60 60 GLN C C 60 178.334 178.334 178.791 -0.457 25790 5494 1 14 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.682 -0.705 25790 5495 1 14 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.548 -0.113 25790 5496 1 14 . 1 1 60 60 GLN H H 60 8.081 8.081 7.820 0.261 25790 5497 1 14 . 1 1 61 61 GLN N N 61 120.206 120.206 119.190 1.016 25790 5498 1 14 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.053 0.109 25790 5499 1 14 . 1 1 61 61 GLN C C 61 178.002 178.002 178.671 -0.669 25790 5500 1 14 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.756 -0.851 25790 5501 1 14 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.296 0.283 25790 5502 1 14 . 1 1 61 61 GLN H H 61 8.111 8.111 7.645 0.466 25790 5503 1 14 . 1 1 62 62 GLN N N 62 118.980 118.980 118.752 0.228 25790 5504 1 14 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.074 0.055 25790 5505 1 14 . 1 1 62 62 GLN C C 62 177.624 177.624 178.200 -0.576 25790 5506 1 14 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.463 -0.827 25790 5507 1 14 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.315 0.321 25790 5508 1 14 . 1 1 62 62 GLN H H 62 8.203 8.203 8.078 0.125 25790 5509 1 14 . 1 1 63 63 ALA N N 63 122.712 122.712 121.956 0.756 25790 5510 1 14 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.096 0.110 25790 5511 1 14 . 1 1 63 63 ALA C C 63 178.922 178.922 178.959 -0.037 25790 5512 1 14 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.520 -0.624 25790 5513 1 14 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.139 0.320 25790 5514 1 14 . 1 1 63 63 ALA H H 63 8.004 8.004 7.954 0.050 25790 5515 1 14 . 1 1 64 64 ALA N N 64 120.813 120.813 120.473 0.340 25790 5516 1 14 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.136 0.096 25790 5517 1 14 . 1 1 64 64 ALA C C 64 178.732 178.732 178.931 -0.199 25790 5518 1 14 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.997 -0.481 25790 5519 1 14 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.193 -0.563 25790 5520 1 14 . 1 1 64 64 ALA H H 64 7.837 7.837 7.632 0.205 25790 5521 1 14 . 1 1 65 65 LEU N N 65 119.196 119.196 117.578 1.618 25790 5522 1 14 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.255 0.002 25790 5523 1 14 . 1 1 65 65 LEU C C 65 178.038 178.038 177.534 0.504 25790 5524 1 14 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.556 0.266 25790 5525 1 14 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.699 -0.435 25790 5526 1 14 . 1 1 65 65 LEU H H 65 7.765 7.765 7.441 0.324 25790 5527 1 14 . 1 1 66 66 GLN N N 66 119.365 119.365 114.279 5.086 25790 5528 1 14 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.027 0.248 25790 5529 1 14 . 1 1 66 66 GLN C C 66 176.120 176.120 175.623 0.497 25790 5530 1 14 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.176 -1.109 25790 5531 1 14 . 1 1 66 66 GLN CB C 66 29.132 29.132 25.947 3.186 25790 5532 1 14 . 1 1 66 66 GLN H H 66 7.967 7.967 8.193 -0.226 25790 5533 1 14 . 1 1 67 67 LYS N N 67 121.521 121.521 118.080 3.441 25790 5534 1 14 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.420 -0.112 25790 5535 1 14 . 1 1 67 67 LYS C C 67 176.437 176.437 176.092 0.345 25790 5536 1 14 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.082 0.307 25790 5537 1 14 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.368 -0.327 25790 5538 1 14 . 1 1 67 67 LYS H H 67 8.053 8.053 8.220 -0.167 25790 5539 1 14 . 1 1 68 68 GLN N N 68 121.970 121.970 119.005 2.965 25790 5540 1 14 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.335 0.004 25790 5541 1 14 . 1 1 68 68 GLN C C 68 175.120 175.120 175.672 -0.552 25790 5542 1 14 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.846 0.154 25790 5543 1 14 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.173 3.325 25790 5544 1 14 . 1 1 68 68 GLN H H 68 8.314 8.314 8.504 -0.190 25790 5545 1 15 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.456 -0.009 25790 5546 1 15 . 1 1 2 2 GLN C C 2 176.144 176.144 176.179 -0.035 25790 5547 1 15 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.015 0.194 25790 5548 1 15 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.412 0.047 25790 5549 1 15 . 1 1 3 3 GLN N N 3 122.052 122.052 116.186 5.866 25790 5550 1 15 . 1 1 3 3 GLN HA H 3 4.323 4.323 3.945 0.378 25790 5551 1 15 . 1 1 3 3 GLN C C 3 176.988 176.988 176.808 0.180 25790 5552 1 15 . 1 1 3 3 GLN CA C 3 57.403 57.403 57.244 0.159 25790 5553 1 15 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.828 1.411 25790 5554 1 15 . 1 1 3 3 GLN H H 3 8.780 8.780 8.684 0.096 25790 5555 1 15 . 1 1 4 4 LYS N N 4 121.855 121.855 118.159 3.696 25790 5556 1 15 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.055 -0.051 25790 5557 1 15 . 1 1 4 4 LYS C C 4 177.638 177.638 178.322 -0.684 25790 5558 1 15 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.517 0.723 25790 5559 1 15 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.511 0.188 25790 5560 1 15 . 1 1 4 4 LYS H H 4 8.528 8.528 8.311 0.217 25790 5561 1 15 . 1 1 5 5 GLN N N 5 116.397 116.397 117.218 -0.821 25790 5562 1 15 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.074 -0.133 25790 5563 1 15 . 1 1 5 5 GLN C C 5 178.761 178.761 178.467 0.294 25790 5564 1 15 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.760 0.589 25790 5565 1 15 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.924 0.026 25790 5566 1 15 . 1 1 5 5 GLN H H 5 8.223 8.223 8.411 -0.188 25790 5567 1 15 . 1 1 6 6 GLN N N 6 119.262 119.262 118.610 0.652 25790 5568 1 15 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.107 0.021 25790 5569 1 15 . 1 1 6 6 GLN C C 6 179.018 179.018 178.217 0.801 25790 5570 1 15 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.871 0.218 25790 5571 1 15 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.093 0.617 25790 5572 1 15 . 1 1 6 6 GLN H H 6 7.848 7.848 7.865 -0.017 25790 5573 1 15 . 1 1 7 7 ILE N N 7 121.296 121.296 119.980 1.316 25790 5574 1 15 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.834 -0.251 25790 5575 1 15 . 1 1 7 7 ILE C C 7 177.833 177.833 178.116 -0.283 25790 5576 1 15 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.879 0.250 25790 5577 1 15 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.700 0.506 25790 5578 1 15 . 1 1 7 7 ILE H H 7 8.095 8.095 7.986 0.109 25790 5579 1 15 . 1 1 8 8 MET N N 8 117.603 117.603 118.671 -1.068 25790 5580 1 15 . 1 1 8 8 MET HA H 8 3.985 3.985 4.127 -0.142 25790 5581 1 15 . 1 1 8 8 MET C C 8 177.355 177.355 178.443 -1.088 25790 5582 1 15 . 1 1 8 8 MET CA C 8 59.932 59.932 59.388 0.544 25790 5583 1 15 . 1 1 8 8 MET CB C 8 32.721 32.721 32.221 0.500 25790 5584 1 15 . 1 1 8 8 MET H H 8 8.672 8.672 7.941 0.731 25790 5585 1 15 . 1 1 9 9 ALA N N 9 118.774 118.774 121.766 -2.992 25790 5586 1 15 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.076 -0.030 25790 5587 1 15 . 1 1 9 9 ALA C C 9 180.546 180.546 179.235 1.311 25790 5588 1 15 . 1 1 9 9 ALA CA C 9 55.385 55.385 54.994 0.391 25790 5589 1 15 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.930 -0.032 25790 5590 1 15 . 1 1 9 9 ALA H H 9 7.795 7.795 7.951 -0.156 25790 5591 1 15 . 1 1 10 10 ALA N N 10 120.854 120.854 121.738 -0.884 25790 5592 1 15 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.053 0.152 25790 5593 1 15 . 1 1 10 10 ALA C C 10 181.200 181.200 179.591 1.609 25790 5594 1 15 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.830 0.182 25790 5595 1 15 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.251 1.010 25790 5596 1 15 . 1 1 10 10 ALA H H 10 7.438 7.438 7.572 -0.134 25790 5597 1 15 . 1 1 11 11 LEU N N 11 120.775 120.775 118.796 1.979 25790 5598 1 15 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.663 0.085 25790 5599 1 15 . 1 1 11 11 LEU C C 11 179.041 179.041 179.179 -0.138 25790 5600 1 15 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.843 0.503 25790 5601 1 15 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.293 -1.316 25790 5602 1 15 . 1 1 11 11 LEU H H 11 8.757 8.757 8.307 0.450 25790 5603 1 15 . 1 1 12 12 ASN N N 12 116.313 116.313 117.870 -1.557 25790 5604 1 15 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.372 0.192 25790 5605 1 15 . 1 1 12 12 ASN C C 12 178.900 178.900 177.207 1.693 25790 5606 1 15 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.566 -2.501 25790 5607 1 15 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.480 -1.487 25790 5608 1 15 . 1 1 12 12 ASN H H 12 8.850 8.850 8.246 0.604 25790 5609 1 15 . 1 1 13 13 SER N N 13 114.747 114.747 115.296 -0.549 25790 5610 1 15 . 1 1 13 13 SER HA H 13 4.370 4.370 4.181 0.189 25790 5611 1 15 . 1 1 13 13 SER C C 13 176.515 176.515 177.330 -0.815 25790 5612 1 15 . 1 1 13 13 SER CA C 13 61.141 61.141 61.070 0.071 25790 5613 1 15 . 1 1 13 13 SER CB C 13 63.044 63.044 63.092 -0.048 25790 5614 1 15 . 1 1 13 13 SER H H 13 7.672 7.672 7.510 0.162 25790 5615 1 15 . 1 1 14 14 GLN N N 14 119.954 119.954 119.357 0.597 25790 5616 1 15 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.049 0.169 25790 5617 1 15 . 1 1 14 14 GLN C C 14 178.208 178.208 177.565 0.643 25790 5618 1 15 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.999 -0.250 25790 5619 1 15 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.867 -0.167 25790 5620 1 15 . 1 1 14 14 GLN H H 14 7.573 7.573 7.840 -0.267 25790 5621 1 15 . 1 1 15 15 THR N N 15 107.493 107.493 106.458 1.035 25790 5622 1 15 . 1 1 15 15 THR HA H 15 3.899 3.899 4.229 -0.330 25790 5623 1 15 . 1 1 15 15 THR C C 15 174.683 174.683 174.628 0.055 25790 5624 1 15 . 1 1 15 15 THR CA C 15 61.551 61.551 60.505 1.046 25790 5625 1 15 . 1 1 15 15 THR CB C 15 69.226 69.226 69.564 -0.338 25790 5626 1 15 . 1 1 15 15 THR H H 15 7.741 7.741 7.619 0.122 25790 5627 1 15 . 1 1 16 16 ALA N N 16 124.034 124.034 126.434 -2.400 25790 5628 1 15 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.963 0.172 25790 5629 1 15 . 1 1 16 16 ALA C C 16 179.899 179.899 178.546 1.353 25790 5630 1 15 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.421 0.786 25790 5631 1 15 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.149 0.575 25790 5632 1 15 . 1 1 16 16 ALA H H 16 6.873 6.873 7.265 -0.392 25790 5633 1 15 . 1 1 17 17 VAL N N 17 117.150 117.150 118.303 -1.153 25790 5634 1 15 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.749 -0.035 25790 5635 1 15 . 1 1 17 17 VAL C C 17 178.537 178.537 177.433 1.104 25790 5636 1 15 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.973 1.535 25790 5637 1 15 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.697 -0.004 25790 5638 1 15 . 1 1 17 17 VAL H H 17 8.162 8.162 8.382 -0.220 25790 5639 1 15 . 1 1 18 18 GLN N N 18 119.489 119.489 120.229 -0.740 25790 5640 1 15 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.037 0.020 25790 5641 1 15 . 1 1 18 18 GLN C C 18 180.429 180.429 178.479 1.950 25790 5642 1 15 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.185 0.514 25790 5643 1 15 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.370 0.816 25790 5644 1 15 . 1 1 18 18 GLN H H 18 8.451 8.451 8.084 0.367 25790 5645 1 15 . 1 1 19 19 PHE N N 19 117.940 117.940 117.207 0.733 25790 5646 1 15 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.651 0.179 25790 5647 1 15 . 1 1 19 19 PHE C C 19 177.858 177.858 177.900 -0.042 25790 5648 1 15 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.173 -0.144 25790 5649 1 15 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.449 -2.544 25790 5650 1 15 . 1 1 19 19 PHE H H 19 8.924 8.924 8.379 0.545 25790 5651 1 15 . 1 1 20 20 GLN N N 20 120.297 120.297 121.454 -1.157 25790 5652 1 15 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.933 0.173 25790 5653 1 15 . 1 1 20 20 GLN C C 20 178.986 178.986 178.218 0.768 25790 5654 1 15 . 1 1 20 20 GLN CA C 20 59.563 59.563 60.047 -0.484 25790 5655 1 15 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.730 -0.835 25790 5656 1 15 . 1 1 20 20 GLN H H 20 8.264 8.264 8.290 -0.026 25790 5657 1 15 . 1 1 21 21 GLN N N 21 118.595 118.595 117.287 1.308 25790 5658 1 15 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.096 -0.014 25790 5659 1 15 . 1 1 21 21 GLN C C 21 178.806 178.806 178.534 0.272 25790 5660 1 15 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.226 0.944 25790 5661 1 15 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.313 -0.117 25790 5662 1 15 . 1 1 21 21 GLN H H 21 8.527 8.527 7.924 0.603 25790 5663 1 15 . 1 1 22 22 TYR N N 22 119.594 119.594 121.765 -2.171 25790 5664 1 15 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.080 0.167 25790 5665 1 15 . 1 1 22 22 TYR C C 22 177.789 177.789 176.856 0.933 25790 5666 1 15 . 1 1 22 22 TYR CA C 22 61.712 61.712 61.082 0.630 25790 5667 1 15 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.279 0.445 25790 5668 1 15 . 1 1 22 22 TYR H H 22 7.843 7.843 7.659 0.184 25790 5669 1 15 . 1 1 23 23 ALA N N 23 120.663 120.663 120.657 0.006 25790 5670 1 15 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.659 0.198 25790 5671 1 15 . 1 1 23 23 ALA C C 23 179.319 179.319 179.074 0.245 25790 5672 1 15 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.691 0.898 25790 5673 1 15 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.040 0.442 25790 5674 1 15 . 1 1 23 23 ALA H H 23 8.612 8.612 8.504 0.108 25790 5675 1 15 . 1 1 24 24 ALA N N 24 119.002 119.002 120.384 -1.382 25790 5676 1 15 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.091 -0.153 25790 5677 1 15 . 1 1 24 24 ALA C C 24 178.987 178.987 178.672 0.315 25790 5678 1 15 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.140 0.177 25790 5679 1 15 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.416 -0.525 25790 5680 1 15 . 1 1 24 24 ALA H H 24 8.168 8.168 8.004 0.164 25790 5681 1 15 . 1 1 25 25 GLN N N 25 115.599 115.599 115.772 -0.173 25790 5682 1 15 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.049 -0.045 25790 5683 1 15 . 1 1 25 25 GLN C C 25 177.818 177.818 177.519 0.299 25790 5684 1 15 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.924 -0.470 25790 5685 1 15 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.869 -0.414 25790 5686 1 15 . 1 1 25 25 GLN H H 25 7.300 7.300 7.534 -0.234 25790 5687 1 15 . 1 1 26 26 GLN N N 26 116.989 116.989 116.841 0.148 25790 5688 1 15 . 1 1 26 26 GLN HA H 26 3.704 3.704 4.024 -0.320 25790 5689 1 15 . 1 1 26 26 GLN C C 26 175.979 175.979 176.308 -0.329 25790 5690 1 15 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.781 0.007 25790 5691 1 15 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.453 -1.373 25790 5692 1 15 . 1 1 26 26 GLN H H 26 7.401 7.401 7.223 0.178 25790 5693 1 15 . 1 1 27 27 TYR N N 27 114.712 114.712 118.345 -3.633 25790 5694 1 15 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.990 0.088 25790 5695 1 15 . 1 1 27 27 TYR C C 27 172.931 172.931 173.811 -0.880 25790 5696 1 15 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.053 1.114 25790 5697 1 15 . 1 1 27 27 TYR CB C 27 39.660 39.660 37.880 1.780 25790 5698 1 15 . 1 1 27 27 TYR H H 27 7.675 7.675 8.324 -0.649 25790 5699 1 15 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.525 -0.163 25790 5700 1 15 . 1 1 28 28 PRO C C 28 179.333 179.333 178.023 1.310 25790 5701 1 15 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.761 0.633 25790 5702 1 15 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.224 -0.970 25790 5703 1 15 . 1 1 29 29 GLY N N 29 110.091 110.091 111.919 -1.828 25790 5704 1 15 . 1 1 29 29 GLY C C 29 173.218 173.218 174.364 -1.146 25790 5705 1 15 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.310 0.602 25790 5706 1 15 . 1 1 29 29 GLY H H 29 8.826 8.826 8.862 -0.036 25790 5707 1 15 . 1 1 30 30 ASN N N 30 118.603 118.603 121.097 -2.494 25790 5708 1 15 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.050 -0.051 25790 5709 1 15 . 1 1 30 30 ASN C C 30 173.977 173.977 174.393 -0.416 25790 5710 1 15 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.885 -0.700 25790 5711 1 15 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.681 -0.255 25790 5712 1 15 . 1 1 30 30 ASN H H 30 7.293 7.293 7.765 -0.472 25790 5713 1 15 . 1 1 31 31 TYR N N 31 125.240 125.240 125.445 -0.205 25790 5714 1 15 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.006 -0.108 25790 5715 1 15 . 1 1 31 31 TYR C C 31 177.343 177.343 176.742 0.601 25790 5716 1 15 . 1 1 31 31 TYR CA C 31 61.811 61.811 63.079 -1.268 25790 5717 1 15 . 1 1 31 31 TYR CB C 31 38.357 38.357 39.013 -0.656 25790 5718 1 15 . 1 1 31 31 TYR H H 31 8.509 8.509 8.185 0.324 25790 5719 1 15 . 1 1 32 32 GLU N N 32 118.993 118.993 117.424 1.569 25790 5720 1 15 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.664 0.236 25790 5721 1 15 . 1 1 32 32 GLU C C 32 179.549 179.549 178.790 0.759 25790 5722 1 15 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.230 0.882 25790 5723 1 15 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.186 0.982 25790 5724 1 15 . 1 1 32 32 GLU H H 32 8.714 8.714 8.866 -0.152 25790 5725 1 15 . 1 1 33 33 GLN N N 33 117.037 117.037 119.212 -2.175 25790 5726 1 15 . 1 1 33 33 GLN HA H 33 3.733 3.733 4.016 -0.283 25790 5727 1 15 . 1 1 33 33 GLN C C 33 179.119 179.119 178.816 0.303 25790 5728 1 15 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.552 -0.850 25790 5729 1 15 . 1 1 33 33 GLN CB C 33 27.626 27.626 28.149 -0.523 25790 5730 1 15 . 1 1 33 33 GLN H H 33 7.536 7.536 7.768 -0.232 25790 5731 1 15 . 1 1 34 34 GLN N N 34 117.723 117.723 119.365 -1.642 25790 5732 1 15 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.058 -0.247 25790 5733 1 15 . 1 1 34 34 GLN C C 34 177.634 177.634 178.594 -0.960 25790 5734 1 15 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.580 0.586 25790 5735 1 15 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.521 -1.020 25790 5736 1 15 . 1 1 34 34 GLN H H 34 7.968 7.968 8.300 -0.332 25790 5737 1 15 . 1 1 35 35 GLN N N 35 115.293 115.293 118.492 -3.199 25790 5738 1 15 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.052 -0.261 25790 5739 1 15 . 1 1 35 35 GLN C C 35 178.757 178.757 178.618 0.139 25790 5740 1 15 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.335 0.275 25790 5741 1 15 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.238 -0.032 25790 5742 1 15 . 1 1 35 35 GLN H H 35 7.870 7.870 7.514 0.356 25790 5743 1 15 . 1 1 36 36 ILE N N 36 120.769 120.769 120.856 -0.087 25790 5744 1 15 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.663 -0.099 25790 5745 1 15 . 1 1 36 36 ILE C C 36 178.273 178.273 178.151 0.122 25790 5746 1 15 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.654 -0.418 25790 5747 1 15 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.620 0.753 25790 5748 1 15 . 1 1 36 36 ILE H H 36 7.503 7.503 7.547 -0.044 25790 5749 1 15 . 1 1 37 37 LEU N N 37 121.056 121.056 122.205 -1.149 25790 5750 1 15 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.190 0.119 25790 5751 1 15 . 1 1 37 37 LEU C C 37 178.348 178.348 178.702 -0.354 25790 5752 1 15 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.919 -0.185 25790 5753 1 15 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.991 -0.475 25790 5754 1 15 . 1 1 37 37 LEU H H 37 7.678 7.678 8.228 -0.550 25790 5755 1 15 . 1 1 38 38 ILE N N 38 119.334 119.334 119.112 0.222 25790 5756 1 15 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.545 -0.204 25790 5757 1 15 . 1 1 38 38 ILE C C 38 177.371 177.371 178.098 -0.727 25790 5758 1 15 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.750 1.335 25790 5759 1 15 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.633 0.716 25790 5760 1 15 . 1 1 38 38 ILE H H 38 8.702 8.702 8.023 0.679 25790 5761 1 15 . 1 1 39 39 ARG N N 39 117.798 117.798 119.682 -1.884 25790 5762 1 15 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.046 0.169 25790 5763 1 15 . 1 1 39 39 ARG C C 39 179.555 179.555 178.819 0.736 25790 5764 1 15 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.948 -0.489 25790 5765 1 15 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.913 -0.161 25790 5766 1 15 . 1 1 39 39 ARG H H 39 7.739 7.739 8.015 -0.276 25790 5767 1 15 . 1 1 40 40 GLN N N 40 119.432 119.432 119.944 -0.512 25790 5768 1 15 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.019 0.118 25790 5769 1 15 . 1 1 40 40 GLN C C 40 179.522 179.522 178.330 1.192 25790 5770 1 15 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.236 0.023 25790 5771 1 15 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.628 -0.270 25790 5772 1 15 . 1 1 40 40 GLN H H 40 7.811 7.811 7.813 -0.002 25790 5773 1 15 . 1 1 41 41 LEU N N 41 121.592 121.592 119.616 1.976 25790 5774 1 15 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.780 -0.093 25790 5775 1 15 . 1 1 41 41 LEU C C 41 178.974 178.974 179.304 -0.330 25790 5776 1 15 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.678 0.285 25790 5777 1 15 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.209 -1.357 25790 5778 1 15 . 1 1 41 41 LEU H H 41 8.648 8.648 8.057 0.591 25790 5779 1 15 . 1 1 42 42 GLN N N 42 119.054 119.054 118.519 0.535 25790 5780 1 15 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.235 0.309 25790 5781 1 15 . 1 1 42 42 GLN C C 42 180.176 180.176 178.976 1.200 25790 5782 1 15 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.454 -0.220 25790 5783 1 15 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.919 -0.999 25790 5784 1 15 . 1 1 42 42 GLN H H 42 8.641 8.641 8.523 0.118 25790 5785 1 15 . 1 1 43 43 GLU N N 43 121.517 121.517 120.096 1.421 25790 5786 1 15 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.089 0.147 25790 5787 1 15 . 1 1 43 43 GLU C C 43 179.721 179.721 179.396 0.325 25790 5788 1 15 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.457 0.210 25790 5789 1 15 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.525 -0.267 25790 5790 1 15 . 1 1 43 43 GLU H H 43 8.111 8.111 8.584 -0.473 25790 5791 1 15 . 1 1 44 44 GLN N N 44 119.240 119.240 117.900 1.340 25790 5792 1 15 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.135 -0.019 25790 5793 1 15 . 1 1 44 44 GLN C C 44 179.012 179.012 178.642 0.370 25790 5794 1 15 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.317 0.832 25790 5795 1 15 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.629 0.225 25790 5796 1 15 . 1 1 44 44 GLN H H 44 8.372 8.372 8.021 0.351 25790 5797 1 15 . 1 1 45 45 HIS N N 45 121.705 121.705 120.531 1.174 25790 5798 1 15 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.349 -0.069 25790 5799 1 15 . 1 1 45 45 HIS C C 45 176.395 176.395 177.139 -0.744 25790 5800 1 15 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.350 1.009 25790 5801 1 15 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.026 2.299 25790 5802 1 15 . 1 1 45 45 HIS H H 45 9.472 9.472 8.325 1.147 25790 5803 1 15 . 1 1 46 46 TYR N N 46 119.039 119.039 120.419 -1.380 25790 5804 1 15 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.199 -0.350 25790 5805 1 15 . 1 1 46 46 TYR C C 46 176.664 176.664 177.786 -1.122 25790 5806 1 15 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.338 -0.087 25790 5807 1 15 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.436 -0.764 25790 5808 1 15 . 1 1 46 46 TYR H H 46 8.253 8.253 8.475 -0.222 25790 5809 1 15 . 1 1 47 47 GLN N N 47 116.407 116.407 117.052 -0.645 25790 5810 1 15 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.976 -0.192 25790 5811 1 15 . 1 1 47 47 GLN C C 47 179.048 179.048 178.395 0.653 25790 5812 1 15 . 1 1 47 47 GLN CA C 47 58.949 58.949 58.627 0.322 25790 5813 1 15 . 1 1 47 47 GLN CB C 47 28.181 28.181 27.916 0.265 25790 5814 1 15 . 1 1 47 47 GLN H H 47 7.814 7.814 7.962 -0.148 25790 5815 1 15 . 1 1 48 48 GLN N N 48 119.803 119.803 120.372 -0.569 25790 5816 1 15 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.945 0.032 25790 5817 1 15 . 1 1 48 48 GLN C C 48 177.741 177.741 178.160 -0.419 25790 5818 1 15 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.955 -0.641 25790 5819 1 15 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.500 -0.172 25790 5820 1 15 . 1 1 48 48 GLN H H 48 8.645 8.645 7.610 1.035 25790 5821 1 15 . 1 1 49 49 TYR N N 49 121.342 121.342 121.435 -0.093 25790 5822 1 15 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.212 -0.572 25790 5823 1 15 . 1 1 49 49 TYR C C 49 176.021 176.021 177.696 -1.675 25790 5824 1 15 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.014 1.095 25790 5825 1 15 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.322 0.585 25790 5826 1 15 . 1 1 49 49 TYR H H 49 9.105 9.105 8.644 0.461 25790 5827 1 15 . 1 1 50 50 MET N N 50 115.522 115.522 118.803 -3.281 25790 5828 1 15 . 1 1 50 50 MET HA H 50 4.040 4.040 3.759 0.281 25790 5829 1 15 . 1 1 50 50 MET C C 50 179.841 179.841 177.874 1.967 25790 5830 1 15 . 1 1 50 50 MET CA C 50 56.623 56.623 58.736 -2.113 25790 5831 1 15 . 1 1 50 50 MET CB C 50 30.099 30.099 32.239 -2.140 25790 5832 1 15 . 1 1 50 50 MET H H 50 8.060 8.060 8.126 -0.066 25790 5833 1 15 . 1 1 51 51 GLN N N 51 118.942 118.942 118.302 0.640 25790 5834 1 15 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.945 0.120 25790 5835 1 15 . 1 1 51 51 GLN C C 51 178.707 178.707 178.110 0.597 25790 5836 1 15 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.904 0.037 25790 5837 1 15 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.617 -0.128 25790 5838 1 15 . 1 1 51 51 GLN H H 51 7.830 7.830 7.812 0.018 25790 5839 1 15 . 1 1 52 52 GLN N N 52 119.210 119.210 120.264 -1.054 25790 5840 1 15 . 1 1 52 52 GLN HA H 52 4.057 4.057 3.994 0.063 25790 5841 1 15 . 1 1 52 52 GLN C C 52 178.738 178.738 178.359 0.379 25790 5842 1 15 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.982 -0.233 25790 5843 1 15 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.572 -0.169 25790 5844 1 15 . 1 1 52 52 GLN H H 52 8.187 8.187 7.940 0.247 25790 5845 1 15 . 1 1 53 53 LEU N N 53 121.233 121.233 118.566 2.667 25790 5846 1 15 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.787 0.054 25790 5847 1 15 . 1 1 53 53 LEU C C 53 179.191 179.191 178.687 0.504 25790 5848 1 15 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.549 0.196 25790 5849 1 15 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.437 0.429 25790 5850 1 15 . 1 1 53 53 LEU H H 53 8.441 8.441 8.082 0.359 25790 5851 1 15 . 1 1 54 54 TYR N N 54 118.505 118.505 119.084 -0.579 25790 5852 1 15 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.026 0.292 25790 5853 1 15 . 1 1 54 54 TYR C C 54 177.535 177.535 177.123 0.412 25790 5854 1 15 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.725 -1.248 25790 5855 1 15 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.045 -0.259 25790 5856 1 15 . 1 1 54 54 TYR H H 54 7.819 7.819 7.522 0.297 25790 5857 1 15 . 1 1 55 55 GLN N N 55 117.299 117.299 118.426 -1.127 25790 5858 1 15 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.670 0.229 25790 5859 1 15 . 1 1 55 55 GLN C C 55 179.041 179.041 178.195 0.846 25790 5860 1 15 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.689 0.020 25790 5861 1 15 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.557 -0.342 25790 5862 1 15 . 1 1 55 55 GLN H H 55 7.735 7.735 7.634 0.101 25790 5863 1 15 . 1 1 56 56 VAL N N 56 120.879 120.879 120.765 0.114 25790 5864 1 15 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.584 0.208 25790 5865 1 15 . 1 1 56 56 VAL C C 56 178.262 178.262 177.975 0.287 25790 5866 1 15 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.624 -0.682 25790 5867 1 15 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.125 0.754 25790 5868 1 15 . 1 1 56 56 VAL H H 56 8.014 8.014 8.273 -0.259 25790 5869 1 15 . 1 1 57 57 GLN N N 57 120.513 120.513 119.101 1.412 25790 5870 1 15 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.978 0.082 25790 5871 1 15 . 1 1 57 57 GLN C C 57 178.772 178.772 178.749 0.023 25790 5872 1 15 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.980 -0.364 25790 5873 1 15 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.572 -0.587 25790 5874 1 15 . 1 1 57 57 GLN H H 57 8.103 8.103 8.001 0.102 25790 5875 1 15 . 1 1 58 58 LEU N N 58 121.244 121.244 117.046 4.198 25790 5876 1 15 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.086 -0.081 25790 5877 1 15 . 1 1 58 58 LEU C C 58 179.134 179.134 178.189 0.945 25790 5878 1 15 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.698 -0.192 25790 5879 1 15 . 1 1 58 58 LEU CB C 58 41.803 41.803 40.821 0.982 25790 5880 1 15 . 1 1 58 58 LEU H H 58 8.176 8.176 7.658 0.518 25790 5881 1 15 . 1 1 59 59 ALA N N 59 121.608 121.608 122.600 -0.992 25790 5882 1 15 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.848 0.317 25790 5883 1 15 . 1 1 59 59 ALA C C 59 180.497 180.497 179.777 0.720 25790 5884 1 15 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.133 -0.551 25790 5885 1 15 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.931 0.122 25790 5886 1 15 . 1 1 59 59 ALA H H 59 7.833 7.833 8.097 -0.264 25790 5887 1 15 . 1 1 60 60 GLN N N 60 118.335 118.335 117.365 0.970 25790 5888 1 15 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.919 0.229 25790 5889 1 15 . 1 1 60 60 GLN C C 60 178.334 178.334 178.885 -0.551 25790 5890 1 15 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.874 -0.897 25790 5891 1 15 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.498 -0.063 25790 5892 1 15 . 1 1 60 60 GLN H H 60 8.081 8.081 7.714 0.367 25790 5893 1 15 . 1 1 61 61 GLN N N 61 120.206 120.206 118.401 1.805 25790 5894 1 15 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.020 0.142 25790 5895 1 15 . 1 1 61 61 GLN C C 61 178.002 178.002 178.524 -0.522 25790 5896 1 15 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.434 -0.528 25790 5897 1 15 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.142 0.437 25790 5898 1 15 . 1 1 61 61 GLN H H 61 8.111 8.111 7.525 0.586 25790 5899 1 15 . 1 1 62 62 GLN N N 62 118.980 118.980 118.420 0.560 25790 5900 1 15 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.084 0.045 25790 5901 1 15 . 1 1 62 62 GLN C C 62 177.624 177.624 178.278 -0.654 25790 5902 1 15 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.399 -0.763 25790 5903 1 15 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.105 0.531 25790 5904 1 15 . 1 1 62 62 GLN H H 62 8.203 8.203 8.102 0.101 25790 5905 1 15 . 1 1 63 63 ALA N N 63 122.712 122.712 123.021 -0.309 25790 5906 1 15 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.103 0.103 25790 5907 1 15 . 1 1 63 63 ALA C C 63 178.922 178.922 178.786 0.136 25790 5908 1 15 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.532 -0.636 25790 5909 1 15 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.148 0.312 25790 5910 1 15 . 1 1 63 63 ALA H H 63 8.004 8.004 8.129 -0.125 25790 5911 1 15 . 1 1 64 64 ALA N N 64 120.813 120.813 119.620 1.193 25790 5912 1 15 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.222 0.010 25790 5913 1 15 . 1 1 64 64 ALA C C 64 178.732 178.732 178.632 0.100 25790 5914 1 15 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.622 -0.106 25790 5915 1 15 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.371 -0.741 25790 5916 1 15 . 1 1 64 64 ALA H H 64 7.837 7.837 7.599 0.238 25790 5917 1 15 . 1 1 65 65 LEU N N 65 119.196 119.196 117.831 1.365 25790 5918 1 15 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.265 -0.008 25790 5919 1 15 . 1 1 65 65 LEU C C 65 178.038 178.038 177.616 0.422 25790 5920 1 15 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.545 0.277 25790 5921 1 15 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.821 -0.557 25790 5922 1 15 . 1 1 65 65 LEU H H 65 7.765 7.765 7.487 0.278 25790 5923 1 15 . 1 1 66 66 GLN N N 66 119.365 119.365 113.980 5.385 25790 5924 1 15 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.942 0.333 25790 5925 1 15 . 1 1 66 66 GLN C C 66 176.120 176.120 176.098 0.022 25790 5926 1 15 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.885 -0.818 25790 5927 1 15 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.774 2.358 25790 5928 1 15 . 1 1 66 66 GLN H H 66 7.967 7.967 7.957 0.011 25790 5929 1 15 . 1 1 67 67 LYS N N 67 121.521 121.521 119.056 2.465 25790 5930 1 15 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.328 -0.019 25790 5931 1 15 . 1 1 67 67 LYS C C 67 176.437 176.437 176.757 -0.320 25790 5932 1 15 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.000 0.389 25790 5933 1 15 . 1 1 67 67 LYS CB C 67 33.041 33.041 31.527 1.514 25790 5934 1 15 . 1 1 67 67 LYS H H 67 8.053 8.053 8.226 -0.173 25790 5935 1 15 . 1 1 68 68 GLN N N 68 121.970 121.970 119.182 2.788 25790 5936 1 15 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.298 0.041 25790 5937 1 15 . 1 1 68 68 GLN C C 68 175.120 175.120 175.269 -0.149 25790 5938 1 15 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.445 0.555 25790 5939 1 15 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.871 2.627 25790 5940 1 15 . 1 1 68 68 GLN H H 68 8.314 8.314 8.217 0.097 25790 5941 1 16 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.538 -0.091 25790 5942 1 16 . 1 1 2 2 GLN C C 2 176.144 176.144 175.275 0.869 25790 5943 1 16 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.803 0.406 25790 5944 1 16 . 1 1 2 2 GLN CB C 2 29.459 29.459 30.266 -0.807 25790 5945 1 16 . 1 1 3 3 GLN N N 3 122.052 122.052 119.624 2.428 25790 5946 1 16 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.041 0.282 25790 5947 1 16 . 1 1 3 3 GLN C C 3 176.988 176.988 175.888 1.100 25790 5948 1 16 . 1 1 3 3 GLN CA C 3 57.403 57.403 56.791 0.612 25790 5949 1 16 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.466 0.773 25790 5950 1 16 . 1 1 3 3 GLN H H 3 8.780 8.780 8.710 0.070 25790 5951 1 16 . 1 1 4 4 LYS N N 4 121.855 121.855 117.991 3.864 25790 5952 1 16 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.218 -0.214 25790 5953 1 16 . 1 1 4 4 LYS C C 4 177.638 177.638 178.266 -0.628 25790 5954 1 16 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.629 1.610 25790 5955 1 16 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.489 0.210 25790 5956 1 16 . 1 1 4 4 LYS H H 4 8.528 8.528 8.498 0.030 25790 5957 1 16 . 1 1 5 5 GLN N N 5 116.397 116.397 117.883 -1.486 25790 5958 1 16 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.833 0.108 25790 5959 1 16 . 1 1 5 5 GLN C C 5 178.761 178.761 177.975 0.786 25790 5960 1 16 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.291 0.058 25790 5961 1 16 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.293 -0.343 25790 5962 1 16 . 1 1 5 5 GLN H H 5 8.223 8.223 8.714 -0.491 25790 5963 1 16 . 1 1 6 6 GLN N N 6 119.262 119.262 119.027 0.235 25790 5964 1 16 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.041 0.087 25790 5965 1 16 . 1 1 6 6 GLN C C 6 179.018 179.018 178.606 0.412 25790 5966 1 16 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.740 0.349 25790 5967 1 16 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.292 0.418 25790 5968 1 16 . 1 1 6 6 GLN H H 6 7.848 7.848 8.268 -0.420 25790 5969 1 16 . 1 1 7 7 ILE N N 7 121.296 121.296 120.234 1.062 25790 5970 1 16 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.729 -0.146 25790 5971 1 16 . 1 1 7 7 ILE C C 7 177.833 177.833 177.767 0.066 25790 5972 1 16 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.457 0.672 25790 5973 1 16 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.943 0.263 25790 5974 1 16 . 1 1 7 7 ILE H H 7 8.095 8.095 7.530 0.565 25790 5975 1 16 . 1 1 8 8 MET N N 8 117.603 117.603 119.462 -1.859 25790 5976 1 16 . 1 1 8 8 MET HA H 8 3.985 3.985 3.728 0.257 25790 5977 1 16 . 1 1 8 8 MET C C 8 177.355 177.355 178.382 -1.027 25790 5978 1 16 . 1 1 8 8 MET CA C 8 59.932 59.932 59.634 0.298 25790 5979 1 16 . 1 1 8 8 MET CB C 8 32.721 32.721 31.932 0.789 25790 5980 1 16 . 1 1 8 8 MET H H 8 8.672 8.672 7.455 1.217 25790 5981 1 16 . 1 1 9 9 ALA N N 9 118.774 118.774 121.092 -2.318 25790 5982 1 16 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.965 0.081 25790 5983 1 16 . 1 1 9 9 ALA C C 9 180.546 180.546 179.208 1.338 25790 5984 1 16 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.046 0.339 25790 5985 1 16 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.043 -0.145 25790 5986 1 16 . 1 1 9 9 ALA H H 9 7.795 7.795 8.373 -0.578 25790 5987 1 16 . 1 1 10 10 ALA N N 10 120.854 120.854 121.710 -0.856 25790 5988 1 16 . 1 1 10 10 ALA HA H 10 4.205 4.205 3.967 0.238 25790 5989 1 16 . 1 1 10 10 ALA C C 10 181.200 181.200 179.655 1.545 25790 5990 1 16 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.857 0.155 25790 5991 1 16 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.434 0.827 25790 5992 1 16 . 1 1 10 10 ALA H H 10 7.438 7.438 7.646 -0.208 25790 5993 1 16 . 1 1 11 11 LEU N N 11 120.775 120.775 118.130 2.645 25790 5994 1 16 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.750 -0.002 25790 5995 1 16 . 1 1 11 11 LEU C C 11 179.041 179.041 179.036 0.005 25790 5996 1 16 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.456 0.890 25790 5997 1 16 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.697 -1.720 25790 5998 1 16 . 1 1 11 11 LEU H H 11 8.757 8.757 7.923 0.834 25790 5999 1 16 . 1 1 12 12 ASN N N 12 116.313 116.313 117.835 -1.522 25790 6000 1 16 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.427 0.137 25790 6001 1 16 . 1 1 12 12 ASN C C 12 178.900 178.900 177.658 1.242 25790 6002 1 16 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.696 -1.631 25790 6003 1 16 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.689 -1.696 25790 6004 1 16 . 1 1 12 12 ASN H H 12 8.850 8.850 8.536 0.314 25790 6005 1 16 . 1 1 13 13 SER N N 13 114.747 114.747 115.283 -0.536 25790 6006 1 16 . 1 1 13 13 SER HA H 13 4.370 4.370 4.167 0.203 25790 6007 1 16 . 1 1 13 13 SER C C 13 176.515 176.515 176.560 -0.045 25790 6008 1 16 . 1 1 13 13 SER CA C 13 61.141 61.141 61.778 -0.637 25790 6009 1 16 . 1 1 13 13 SER CB C 13 63.044 63.044 62.849 0.195 25790 6010 1 16 . 1 1 13 13 SER H H 13 7.672 7.672 8.072 -0.400 25790 6011 1 16 . 1 1 14 14 GLN N N 14 119.954 119.954 117.495 2.459 25790 6012 1 16 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.181 0.037 25790 6013 1 16 . 1 1 14 14 GLN C C 14 178.208 178.208 176.858 1.350 25790 6014 1 16 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.683 0.066 25790 6015 1 16 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.663 0.037 25790 6016 1 16 . 1 1 14 14 GLN H H 14 7.573 7.573 7.630 -0.057 25790 6017 1 16 . 1 1 15 15 THR N N 15 107.493 107.493 108.359 -0.866 25790 6018 1 16 . 1 1 15 15 THR HA H 15 3.899 3.899 4.256 -0.357 25790 6019 1 16 . 1 1 15 15 THR C C 15 174.683 174.683 174.685 -0.002 25790 6020 1 16 . 1 1 15 15 THR CA C 15 61.551 61.551 61.111 0.440 25790 6021 1 16 . 1 1 15 15 THR CB C 15 69.226 69.226 69.709 -0.483 25790 6022 1 16 . 1 1 15 15 THR H H 15 7.741 7.741 7.317 0.424 25790 6023 1 16 . 1 1 16 16 ALA N N 16 124.034 124.034 125.989 -1.955 25790 6024 1 16 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.068 0.067 25790 6025 1 16 . 1 1 16 16 ALA C C 16 179.899 179.899 178.959 0.940 25790 6026 1 16 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.519 0.688 25790 6027 1 16 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.697 1.027 25790 6028 1 16 . 1 1 16 16 ALA H H 16 6.873 6.873 7.660 -0.787 25790 6029 1 16 . 1 1 17 17 VAL N N 17 117.150 117.150 117.885 -0.735 25790 6030 1 16 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.767 -0.053 25790 6031 1 16 . 1 1 17 17 VAL C C 17 178.537 178.537 177.148 1.389 25790 6032 1 16 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.718 1.790 25790 6033 1 16 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.731 -0.038 25790 6034 1 16 . 1 1 17 17 VAL H H 17 8.162 8.162 8.345 -0.183 25790 6035 1 16 . 1 1 18 18 GLN N N 18 119.489 119.489 120.152 -0.663 25790 6036 1 16 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.012 0.045 25790 6037 1 16 . 1 1 18 18 GLN C C 18 180.429 180.429 178.015 2.414 25790 6038 1 16 . 1 1 18 18 GLN CA C 18 59.699 59.699 58.955 0.745 25790 6039 1 16 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.347 0.839 25790 6040 1 16 . 1 1 18 18 GLN H H 18 8.451 8.451 7.967 0.484 25790 6041 1 16 . 1 1 19 19 PHE N N 19 117.940 117.940 118.008 -0.068 25790 6042 1 16 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.407 0.423 25790 6043 1 16 . 1 1 19 19 PHE C C 19 177.858 177.858 178.156 -0.298 25790 6044 1 16 . 1 1 19 19 PHE CA C 19 57.029 57.029 59.427 -2.398 25790 6045 1 16 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.332 -2.427 25790 6046 1 16 . 1 1 19 19 PHE H H 19 8.924 8.924 8.306 0.618 25790 6047 1 16 . 1 1 20 20 GLN N N 20 120.297 120.297 120.457 -0.160 25790 6048 1 16 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.960 0.146 25790 6049 1 16 . 1 1 20 20 GLN C C 20 178.986 178.986 178.341 0.645 25790 6050 1 16 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.659 -0.096 25790 6051 1 16 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.529 -0.634 25790 6052 1 16 . 1 1 20 20 GLN H H 20 8.264 8.264 7.964 0.300 25790 6053 1 16 . 1 1 21 21 GLN N N 21 118.595 118.595 118.845 -0.250 25790 6054 1 16 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.037 0.045 25790 6055 1 16 . 1 1 21 21 GLN C C 21 178.806 178.806 178.649 0.157 25790 6056 1 16 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.922 0.248 25790 6057 1 16 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.795 -0.599 25790 6058 1 16 . 1 1 21 21 GLN H H 21 8.527 8.527 8.127 0.400 25790 6059 1 16 . 1 1 22 22 TYR N N 22 119.594 119.594 120.951 -1.357 25790 6060 1 16 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.102 0.145 25790 6061 1 16 . 1 1 22 22 TYR C C 22 177.789 177.789 176.989 0.800 25790 6062 1 16 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.940 0.772 25790 6063 1 16 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.540 0.184 25790 6064 1 16 . 1 1 22 22 TYR H H 22 7.843 7.843 7.857 -0.014 25790 6065 1 16 . 1 1 23 23 ALA N N 23 120.663 120.663 121.124 -0.461 25790 6066 1 16 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.747 0.110 25790 6067 1 16 . 1 1 23 23 ALA C C 23 179.319 179.319 178.615 0.704 25790 6068 1 16 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.891 0.698 25790 6069 1 16 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.171 0.311 25790 6070 1 16 . 1 1 23 23 ALA H H 23 8.612 8.612 8.692 -0.080 25790 6071 1 16 . 1 1 24 24 ALA N N 24 119.002 119.002 119.529 -0.527 25790 6072 1 16 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.107 -0.169 25790 6073 1 16 . 1 1 24 24 ALA C C 24 178.987 178.987 178.549 0.438 25790 6074 1 16 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.224 0.093 25790 6075 1 16 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.465 -0.574 25790 6076 1 16 . 1 1 24 24 ALA H H 24 8.168 8.168 7.822 0.346 25790 6077 1 16 . 1 1 25 25 GLN N N 25 115.599 115.599 116.281 -0.682 25790 6078 1 16 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.052 -0.048 25790 6079 1 16 . 1 1 25 25 GLN C C 25 177.818 177.818 177.487 0.331 25790 6080 1 16 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.048 -0.594 25790 6081 1 16 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.744 -0.289 25790 6082 1 16 . 1 1 25 25 GLN H H 25 7.300 7.300 7.519 -0.219 25790 6083 1 16 . 1 1 26 26 GLN N N 26 116.989 116.989 116.993 -0.004 25790 6084 1 16 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.917 -0.213 25790 6085 1 16 . 1 1 26 26 GLN C C 26 175.979 175.979 175.932 0.047 25790 6086 1 16 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.004 -0.216 25790 6087 1 16 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.887 -0.807 25790 6088 1 16 . 1 1 26 26 GLN H H 26 7.401 7.401 7.210 0.191 25790 6089 1 16 . 1 1 27 27 TYR N N 27 114.712 114.712 117.707 -2.995 25790 6090 1 16 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.974 0.104 25790 6091 1 16 . 1 1 27 27 TYR C C 27 172.931 172.931 173.676 -0.745 25790 6092 1 16 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.206 0.961 25790 6093 1 16 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.221 1.439 25790 6094 1 16 . 1 1 27 27 TYR H H 27 7.675 7.675 8.254 -0.579 25790 6095 1 16 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.548 -0.186 25790 6096 1 16 . 1 1 28 28 PRO C C 28 179.333 179.333 178.015 1.318 25790 6097 1 16 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.802 0.592 25790 6098 1 16 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.098 -0.844 25790 6099 1 16 . 1 1 29 29 GLY N N 29 110.091 110.091 112.769 -2.678 25790 6100 1 16 . 1 1 29 29 GLY C C 29 173.218 173.218 174.278 -1.060 25790 6101 1 16 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.244 0.668 25790 6102 1 16 . 1 1 29 29 GLY H H 29 8.826 8.826 8.907 -0.081 25790 6103 1 16 . 1 1 30 30 ASN N N 30 118.603 118.603 121.252 -2.649 25790 6104 1 16 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.070 -0.071 25790 6105 1 16 . 1 1 30 30 ASN C C 30 173.977 173.977 174.681 -0.704 25790 6106 1 16 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.611 -0.426 25790 6107 1 16 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.697 -0.271 25790 6108 1 16 . 1 1 30 30 ASN H H 30 7.293 7.293 7.721 -0.428 25790 6109 1 16 . 1 1 31 31 TYR N N 31 125.240 125.240 125.755 -0.515 25790 6110 1 16 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.300 -0.402 25790 6111 1 16 . 1 1 31 31 TYR C C 31 177.343 177.343 176.656 0.687 25790 6112 1 16 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.290 -0.479 25790 6113 1 16 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.962 -0.605 25790 6114 1 16 . 1 1 31 31 TYR H H 31 8.509 8.509 8.346 0.163 25790 6115 1 16 . 1 1 32 32 GLU N N 32 118.993 118.993 116.545 2.448 25790 6116 1 16 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.753 0.147 25790 6117 1 16 . 1 1 32 32 GLU C C 32 179.549 179.549 178.520 1.029 25790 6118 1 16 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.498 0.614 25790 6119 1 16 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.041 1.127 25790 6120 1 16 . 1 1 32 32 GLU H H 32 8.714 8.714 8.753 -0.039 25790 6121 1 16 . 1 1 33 33 GLN N N 33 117.037 117.037 118.474 -1.437 25790 6122 1 16 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.986 -0.253 25790 6123 1 16 . 1 1 33 33 GLN C C 33 179.119 179.119 178.734 0.385 25790 6124 1 16 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.307 -0.605 25790 6125 1 16 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.437 0.189 25790 6126 1 16 . 1 1 33 33 GLN H H 33 7.536 7.536 8.306 -0.770 25790 6127 1 16 . 1 1 34 34 GLN N N 34 117.723 117.723 119.667 -1.944 25790 6128 1 16 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.121 -0.310 25790 6129 1 16 . 1 1 34 34 GLN C C 34 177.634 177.634 178.632 -0.998 25790 6130 1 16 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.564 0.601 25790 6131 1 16 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.448 -0.947 25790 6132 1 16 . 1 1 34 34 GLN H H 34 7.968 7.968 8.361 -0.393 25790 6133 1 16 . 1 1 35 35 GLN N N 35 115.293 115.293 118.648 -3.355 25790 6134 1 16 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.031 -0.240 25790 6135 1 16 . 1 1 35 35 GLN C C 35 178.757 178.757 178.604 0.153 25790 6136 1 16 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.314 0.296 25790 6137 1 16 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.282 -0.077 25790 6138 1 16 . 1 1 35 35 GLN H H 35 7.870 7.870 7.570 0.300 25790 6139 1 16 . 1 1 36 36 ILE N N 36 120.769 120.769 120.909 -0.140 25790 6140 1 16 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.667 -0.103 25790 6141 1 16 . 1 1 36 36 ILE C C 36 178.273 178.273 178.108 0.165 25790 6142 1 16 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.197 0.039 25790 6143 1 16 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.745 0.628 25790 6144 1 16 . 1 1 36 36 ILE H H 36 7.503 7.503 7.832 -0.329 25790 6145 1 16 . 1 1 37 37 LEU N N 37 121.056 121.056 121.877 -0.821 25790 6146 1 16 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.097 0.212 25790 6147 1 16 . 1 1 37 37 LEU C C 37 178.348 178.348 178.339 0.009 25790 6148 1 16 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.218 -0.484 25790 6149 1 16 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.883 -0.367 25790 6150 1 16 . 1 1 37 37 LEU H H 37 7.678 7.678 8.016 -0.338 25790 6151 1 16 . 1 1 38 38 ILE N N 38 119.334 119.334 119.297 0.037 25790 6152 1 16 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.412 -0.071 25790 6153 1 16 . 1 1 38 38 ILE C C 38 177.371 177.371 177.897 -0.526 25790 6154 1 16 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.496 1.589 25790 6155 1 16 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.478 0.871 25790 6156 1 16 . 1 1 38 38 ILE H H 38 8.702 8.702 8.130 0.572 25790 6157 1 16 . 1 1 39 39 ARG N N 39 117.798 117.798 118.902 -1.104 25790 6158 1 16 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.942 0.273 25790 6159 1 16 . 1 1 39 39 ARG C C 39 179.555 179.555 178.536 1.019 25790 6160 1 16 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.006 0.453 25790 6161 1 16 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.313 0.439 25790 6162 1 16 . 1 1 39 39 ARG H H 39 7.739 7.739 8.088 -0.349 25790 6163 1 16 . 1 1 40 40 GLN N N 40 119.432 119.432 119.607 -0.175 25790 6164 1 16 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.054 0.083 25790 6165 1 16 . 1 1 40 40 GLN C C 40 179.522 179.522 178.461 1.061 25790 6166 1 16 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.002 0.258 25790 6167 1 16 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.508 -0.150 25790 6168 1 16 . 1 1 40 40 GLN H H 40 7.811 7.811 7.670 0.141 25790 6169 1 16 . 1 1 41 41 LEU N N 41 121.592 121.592 119.088 2.504 25790 6170 1 16 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.758 -0.071 25790 6171 1 16 . 1 1 41 41 LEU C C 41 178.974 178.974 179.058 -0.084 25790 6172 1 16 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.408 0.555 25790 6173 1 16 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.797 -0.945 25790 6174 1 16 . 1 1 41 41 LEU H H 41 8.648 8.648 8.240 0.408 25790 6175 1 16 . 1 1 42 42 GLN N N 42 119.054 119.054 118.909 0.145 25790 6176 1 16 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.209 0.335 25790 6177 1 16 . 1 1 42 42 GLN C C 42 180.176 180.176 179.040 1.136 25790 6178 1 16 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.530 -0.296 25790 6179 1 16 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.780 -0.860 25790 6180 1 16 . 1 1 42 42 GLN H H 42 8.641 8.641 8.120 0.521 25790 6181 1 16 . 1 1 43 43 GLU N N 43 121.517 121.517 119.390 2.127 25790 6182 1 16 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.120 0.116 25790 6183 1 16 . 1 1 43 43 GLU C C 43 179.721 179.721 178.727 0.994 25790 6184 1 16 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.378 0.289 25790 6185 1 16 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.488 -0.231 25790 6186 1 16 . 1 1 43 43 GLU H H 43 8.111 8.111 7.850 0.261 25790 6187 1 16 . 1 1 44 44 GLN N N 44 119.240 119.240 120.027 -0.787 25790 6188 1 16 . 1 1 44 44 GLN HA H 44 4.116 4.116 3.991 0.125 25790 6189 1 16 . 1 1 44 44 GLN C C 44 179.012 179.012 178.306 0.706 25790 6190 1 16 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.175 -0.026 25790 6191 1 16 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.710 0.144 25790 6192 1 16 . 1 1 44 44 GLN H H 44 8.372 8.372 8.456 -0.084 25790 6193 1 16 . 1 1 45 45 HIS N N 45 121.705 121.705 118.955 2.750 25790 6194 1 16 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.402 -0.122 25790 6195 1 16 . 1 1 45 45 HIS C C 45 176.395 176.395 177.594 -1.199 25790 6196 1 16 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.712 0.648 25790 6197 1 16 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.392 1.933 25790 6198 1 16 . 1 1 45 45 HIS H H 45 9.472 9.472 8.456 1.016 25790 6199 1 16 . 1 1 46 46 TYR N N 46 119.039 119.039 121.142 -2.103 25790 6200 1 16 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.383 -0.534 25790 6201 1 16 . 1 1 46 46 TYR C C 46 176.664 176.664 178.057 -1.393 25790 6202 1 16 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.379 0.872 25790 6203 1 16 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.483 -0.810 25790 6204 1 16 . 1 1 46 46 TYR H H 46 8.253 8.253 7.929 0.324 25790 6205 1 16 . 1 1 47 47 GLN N N 47 116.407 116.407 118.289 -1.882 25790 6206 1 16 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.754 0.030 25790 6207 1 16 . 1 1 47 47 GLN C C 47 179.048 179.048 178.250 0.798 25790 6208 1 16 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.259 -0.310 25790 6209 1 16 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.418 -0.237 25790 6210 1 16 . 1 1 47 47 GLN H H 47 7.814 7.814 8.455 -0.641 25790 6211 1 16 . 1 1 48 48 GLN N N 48 119.803 119.803 120.099 -0.296 25790 6212 1 16 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.012 -0.035 25790 6213 1 16 . 1 1 48 48 GLN C C 48 177.741 177.741 178.139 -0.398 25790 6214 1 16 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.644 -0.330 25790 6215 1 16 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.128 0.199 25790 6216 1 16 . 1 1 48 48 GLN H H 48 8.645 8.645 8.161 0.484 25790 6217 1 16 . 1 1 49 49 TYR N N 49 121.342 121.342 120.705 0.637 25790 6218 1 16 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.191 -0.551 25790 6219 1 16 . 1 1 49 49 TYR C C 49 176.021 176.021 177.725 -1.704 25790 6220 1 16 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.196 0.913 25790 6221 1 16 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.367 0.540 25790 6222 1 16 . 1 1 49 49 TYR H H 49 9.105 9.105 7.978 1.127 25790 6223 1 16 . 1 1 50 50 MET N N 50 115.522 115.522 118.622 -3.100 25790 6224 1 16 . 1 1 50 50 MET HA H 50 4.040 4.040 3.792 0.248 25790 6225 1 16 . 1 1 50 50 MET C C 50 179.841 179.841 177.949 1.892 25790 6226 1 16 . 1 1 50 50 MET CA C 50 56.623 56.623 58.456 -1.833 25790 6227 1 16 . 1 1 50 50 MET CB C 50 30.099 30.099 32.252 -2.153 25790 6228 1 16 . 1 1 50 50 MET H H 50 8.060 8.060 8.203 -0.143 25790 6229 1 16 . 1 1 51 51 GLN N N 51 118.942 118.942 118.740 0.202 25790 6230 1 16 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.989 0.076 25790 6231 1 16 . 1 1 51 51 GLN C C 51 178.707 178.707 178.375 0.332 25790 6232 1 16 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.307 -0.366 25790 6233 1 16 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.469 0.020 25790 6234 1 16 . 1 1 51 51 GLN H H 51 7.830 7.830 8.148 -0.318 25790 6235 1 16 . 1 1 52 52 GLN N N 52 119.210 119.210 120.545 -1.335 25790 6236 1 16 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.070 -0.013 25790 6237 1 16 . 1 1 52 52 GLN C C 52 178.738 178.738 178.493 0.245 25790 6238 1 16 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.665 0.084 25790 6239 1 16 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.255 0.148 25790 6240 1 16 . 1 1 52 52 GLN H H 52 8.187 8.187 7.891 0.296 25790 6241 1 16 . 1 1 53 53 LEU N N 53 121.233 121.233 119.678 1.555 25790 6242 1 16 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.870 -0.029 25790 6243 1 16 . 1 1 53 53 LEU C C 53 179.191 179.191 178.691 0.500 25790 6244 1 16 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.296 0.449 25790 6245 1 16 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.560 0.306 25790 6246 1 16 . 1 1 53 53 LEU H H 53 8.441 8.441 7.863 0.578 25790 6247 1 16 . 1 1 54 54 TYR N N 54 118.505 118.505 120.236 -1.731 25790 6248 1 16 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.971 0.347 25790 6249 1 16 . 1 1 54 54 TYR C C 54 177.535 177.535 177.378 0.157 25790 6250 1 16 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.721 -1.244 25790 6251 1 16 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.093 -0.307 25790 6252 1 16 . 1 1 54 54 TYR H H 54 7.819 7.819 8.159 -0.340 25790 6253 1 16 . 1 1 55 55 GLN N N 55 117.299 117.299 118.258 -0.959 25790 6254 1 16 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.656 0.243 25790 6255 1 16 . 1 1 55 55 GLN C C 55 179.041 179.041 178.394 0.647 25790 6256 1 16 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.686 0.023 25790 6257 1 16 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.710 -0.496 25790 6258 1 16 . 1 1 55 55 GLN H H 55 7.735 7.735 7.689 0.046 25790 6259 1 16 . 1 1 56 56 VAL N N 56 120.879 120.879 120.758 0.121 25790 6260 1 16 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.647 0.145 25790 6261 1 16 . 1 1 56 56 VAL C C 56 178.262 178.262 178.116 0.146 25790 6262 1 16 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.142 -0.200 25790 6263 1 16 . 1 1 56 56 VAL CB C 56 31.879 31.879 30.796 1.083 25790 6264 1 16 . 1 1 56 56 VAL H H 56 8.014 8.014 7.924 0.090 25790 6265 1 16 . 1 1 57 57 GLN N N 57 120.513 120.513 119.467 1.046 25790 6266 1 16 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.983 0.077 25790 6267 1 16 . 1 1 57 57 GLN C C 57 178.772 178.772 178.897 -0.125 25790 6268 1 16 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.206 -0.591 25790 6269 1 16 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.424 -0.439 25790 6270 1 16 . 1 1 57 57 GLN H H 57 8.103 8.103 8.136 -0.033 25790 6271 1 16 . 1 1 58 58 LEU N N 58 121.244 121.244 119.339 1.905 25790 6272 1 16 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.900 0.105 25790 6273 1 16 . 1 1 58 58 LEU C C 58 179.134 179.134 178.583 0.551 25790 6274 1 16 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.250 0.256 25790 6275 1 16 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.265 0.538 25790 6276 1 16 . 1 1 58 58 LEU H H 58 8.176 8.176 7.803 0.373 25790 6277 1 16 . 1 1 59 59 ALA N N 59 121.608 121.608 122.067 -0.459 25790 6278 1 16 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.873 0.292 25790 6279 1 16 . 1 1 59 59 ALA C C 59 180.497 180.497 179.798 0.699 25790 6280 1 16 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.243 -0.661 25790 6281 1 16 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.975 0.078 25790 6282 1 16 . 1 1 59 59 ALA H H 59 7.833 7.833 8.102 -0.269 25790 6283 1 16 . 1 1 60 60 GLN N N 60 118.335 118.335 117.716 0.619 25790 6284 1 16 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.926 0.222 25790 6285 1 16 . 1 1 60 60 GLN C C 60 178.334 178.334 178.893 -0.559 25790 6286 1 16 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.892 -0.915 25790 6287 1 16 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.560 -0.125 25790 6288 1 16 . 1 1 60 60 GLN H H 60 8.081 8.081 8.151 -0.070 25790 6289 1 16 . 1 1 61 61 GLN N N 61 120.206 120.206 119.111 1.095 25790 6290 1 16 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.003 0.159 25790 6291 1 16 . 1 1 61 61 GLN C C 61 178.002 178.002 178.679 -0.677 25790 6292 1 16 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.938 -1.033 25790 6293 1 16 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.299 0.280 25790 6294 1 16 . 1 1 61 61 GLN H H 61 8.111 8.111 7.866 0.245 25790 6295 1 16 . 1 1 62 62 GLN N N 62 118.980 118.980 118.839 0.141 25790 6296 1 16 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.057 0.072 25790 6297 1 16 . 1 1 62 62 GLN C C 62 177.624 177.624 178.306 -0.682 25790 6298 1 16 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.616 -0.980 25790 6299 1 16 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.535 0.101 25790 6300 1 16 . 1 1 62 62 GLN H H 62 8.203 8.203 8.307 -0.104 25790 6301 1 16 . 1 1 63 63 ALA N N 63 122.712 122.712 122.053 0.659 25790 6302 1 16 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.107 0.099 25790 6303 1 16 . 1 1 63 63 ALA C C 63 178.922 178.922 178.792 0.130 25790 6304 1 16 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.552 -0.656 25790 6305 1 16 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.212 0.247 25790 6306 1 16 . 1 1 63 63 ALA H H 63 8.004 8.004 8.127 -0.123 25790 6307 1 16 . 1 1 64 64 ALA N N 64 120.813 120.813 120.594 0.219 25790 6308 1 16 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.156 0.076 25790 6309 1 16 . 1 1 64 64 ALA C C 64 178.732 178.732 178.985 -0.253 25790 6310 1 16 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.871 -0.355 25790 6311 1 16 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.226 -0.596 25790 6312 1 16 . 1 1 64 64 ALA H H 64 7.837 7.837 7.668 0.169 25790 6313 1 16 . 1 1 65 65 LEU N N 65 119.196 119.196 117.859 1.337 25790 6314 1 16 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.129 0.128 25790 6315 1 16 . 1 1 65 65 LEU C C 65 178.038 178.038 177.664 0.374 25790 6316 1 16 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.919 -0.097 25790 6317 1 16 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.591 -0.327 25790 6318 1 16 . 1 1 65 65 LEU H H 65 7.765 7.765 7.637 0.128 25790 6319 1 16 . 1 1 66 66 GLN N N 66 119.365 119.365 114.433 4.932 25790 6320 1 16 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.951 0.324 25790 6321 1 16 . 1 1 66 66 GLN C C 66 176.120 176.120 175.632 0.488 25790 6322 1 16 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.955 -0.888 25790 6323 1 16 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.224 2.908 25790 6324 1 16 . 1 1 66 66 GLN H H 66 7.967 7.967 8.048 -0.081 25790 6325 1 16 . 1 1 67 67 LYS N N 67 121.521 121.521 118.552 2.969 25790 6326 1 16 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.363 -0.054 25790 6327 1 16 . 1 1 67 67 LYS C C 67 176.437 176.437 175.232 1.205 25790 6328 1 16 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.949 0.440 25790 6329 1 16 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.022 0.019 25790 6330 1 16 . 1 1 67 67 LYS H H 67 8.053 8.053 8.060 -0.007 25790 6331 1 16 . 1 1 68 68 GLN N N 68 121.970 121.970 119.050 2.920 25790 6332 1 16 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.429 -0.090 25790 6333 1 16 . 1 1 68 68 GLN C C 68 175.120 175.120 176.045 -0.925 25790 6334 1 16 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.078 0.922 25790 6335 1 16 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.242 1.256 25790 6336 1 16 . 1 1 68 68 GLN H H 68 8.314 8.314 8.059 0.255 25790 6337 1 17 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.456 -0.009 25790 6338 1 17 . 1 1 2 2 GLN C C 2 176.144 176.144 174.880 1.264 25790 6339 1 17 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.802 0.407 25790 6340 1 17 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.061 1.398 25790 6341 1 17 . 1 1 3 3 GLN N N 3 122.052 122.052 120.227 1.825 25790 6342 1 17 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.621 -0.298 25790 6343 1 17 . 1 1 3 3 GLN C C 3 176.988 176.988 176.184 0.804 25790 6344 1 17 . 1 1 3 3 GLN CA C 3 57.403 57.403 54.925 2.478 25790 6345 1 17 . 1 1 3 3 GLN CB C 3 29.239 29.239 30.932 -1.693 25790 6346 1 17 . 1 1 3 3 GLN H H 3 8.780 8.780 7.821 0.959 25790 6347 1 17 . 1 1 4 4 LYS N N 4 121.855 121.855 117.352 4.503 25790 6348 1 17 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.956 0.048 25790 6349 1 17 . 1 1 4 4 LYS C C 4 177.638 177.638 178.189 -0.551 25790 6350 1 17 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.767 0.472 25790 6351 1 17 . 1 1 4 4 LYS CB C 4 32.699 32.699 30.824 1.875 25790 6352 1 17 . 1 1 4 4 LYS H H 4 8.528 8.528 8.872 -0.344 25790 6353 1 17 . 1 1 5 5 GLN N N 5 116.397 116.397 118.236 -1.839 25790 6354 1 17 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.021 -0.080 25790 6355 1 17 . 1 1 5 5 GLN C C 5 178.761 178.761 177.997 0.764 25790 6356 1 17 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.660 0.689 25790 6357 1 17 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.591 -0.641 25790 6358 1 17 . 1 1 5 5 GLN H H 5 8.223 8.223 8.326 -0.103 25790 6359 1 17 . 1 1 6 6 GLN N N 6 119.262 119.262 118.660 0.602 25790 6360 1 17 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.122 0.006 25790 6361 1 17 . 1 1 6 6 GLN C C 6 179.018 179.018 178.426 0.592 25790 6362 1 17 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.867 0.222 25790 6363 1 17 . 1 1 6 6 GLN CB C 6 28.710 28.710 27.817 0.893 25790 6364 1 17 . 1 1 6 6 GLN H H 6 7.848 7.848 8.826 -0.978 25790 6365 1 17 . 1 1 7 7 ILE N N 7 121.296 121.296 120.326 0.970 25790 6366 1 17 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.696 -0.113 25790 6367 1 17 . 1 1 7 7 ILE C C 7 177.833 177.833 178.202 -0.369 25790 6368 1 17 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.931 0.198 25790 6369 1 17 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.649 0.557 25790 6370 1 17 . 1 1 7 7 ILE H H 7 8.095 8.095 7.364 0.731 25790 6371 1 17 . 1 1 8 8 MET N N 8 117.603 117.603 118.738 -1.135 25790 6372 1 17 . 1 1 8 8 MET HA H 8 3.985 3.985 4.089 -0.104 25790 6373 1 17 . 1 1 8 8 MET C C 8 177.355 177.355 178.285 -0.930 25790 6374 1 17 . 1 1 8 8 MET CA C 8 59.932 59.932 59.501 0.431 25790 6375 1 17 . 1 1 8 8 MET CB C 8 32.721 32.721 32.153 0.568 25790 6376 1 17 . 1 1 8 8 MET H H 8 8.672 8.672 8.126 0.546 25790 6377 1 17 . 1 1 9 9 ALA N N 9 118.774 118.774 121.692 -2.918 25790 6378 1 17 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.013 0.033 25790 6379 1 17 . 1 1 9 9 ALA C C 9 180.546 180.546 179.180 1.366 25790 6380 1 17 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.148 0.237 25790 6381 1 17 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.869 0.029 25790 6382 1 17 . 1 1 9 9 ALA H H 9 7.795 7.795 8.301 -0.506 25790 6383 1 17 . 1 1 10 10 ALA N N 10 120.854 120.854 121.294 -0.440 25790 6384 1 17 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.032 0.173 25790 6385 1 17 . 1 1 10 10 ALA C C 10 181.200 181.200 179.554 1.646 25790 6386 1 17 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.600 0.412 25790 6387 1 17 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.465 0.796 25790 6388 1 17 . 1 1 10 10 ALA H H 10 7.438 7.438 7.724 -0.286 25790 6389 1 17 . 1 1 11 11 LEU N N 11 120.775 120.775 118.617 2.158 25790 6390 1 17 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.747 0.001 25790 6391 1 17 . 1 1 11 11 LEU C C 11 179.041 179.041 179.013 0.028 25790 6392 1 17 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.528 0.818 25790 6393 1 17 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.621 -1.644 25790 6394 1 17 . 1 1 11 11 LEU H H 11 8.757 8.757 8.151 0.606 25790 6395 1 17 . 1 1 12 12 ASN N N 12 116.313 116.313 118.235 -1.922 25790 6396 1 17 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.497 0.067 25790 6397 1 17 . 1 1 12 12 ASN C C 12 178.900 178.900 177.939 0.961 25790 6398 1 17 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.639 -1.574 25790 6399 1 17 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.789 -0.796 25790 6400 1 17 . 1 1 12 12 ASN H H 12 8.850 8.850 8.591 0.259 25790 6401 1 17 . 1 1 13 13 SER N N 13 114.747 114.747 115.092 -0.345 25790 6402 1 17 . 1 1 13 13 SER HA H 13 4.370 4.370 4.154 0.216 25790 6403 1 17 . 1 1 13 13 SER C C 13 176.515 176.515 175.500 1.015 25790 6404 1 17 . 1 1 13 13 SER CA C 13 61.141 61.141 61.389 -0.249 25790 6405 1 17 . 1 1 13 13 SER CB C 13 63.044 63.044 62.980 0.064 25790 6406 1 17 . 1 1 13 13 SER H H 13 7.672 7.672 7.771 -0.099 25790 6407 1 17 . 1 1 14 14 GLN N N 14 119.954 119.954 116.882 3.072 25790 6408 1 17 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.227 -0.009 25790 6409 1 17 . 1 1 14 14 GLN C C 14 178.208 178.208 176.841 1.367 25790 6410 1 17 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.862 -0.113 25790 6411 1 17 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.311 -0.611 25790 6412 1 17 . 1 1 14 14 GLN H H 14 7.573 7.573 7.557 0.016 25790 6413 1 17 . 1 1 15 15 THR N N 15 107.493 107.493 108.867 -1.374 25790 6414 1 17 . 1 1 15 15 THR HA H 15 3.899 3.899 4.079 -0.180 25790 6415 1 17 . 1 1 15 15 THR C C 15 174.683 174.683 175.091 -0.408 25790 6416 1 17 . 1 1 15 15 THR CA C 15 61.551 61.551 61.865 -0.314 25790 6417 1 17 . 1 1 15 15 THR CB C 15 69.226 69.226 68.914 0.312 25790 6418 1 17 . 1 1 15 15 THR H H 15 7.741 7.741 7.027 0.714 25790 6419 1 17 . 1 1 16 16 ALA N N 16 124.034 124.034 126.612 -2.578 25790 6420 1 17 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.981 0.154 25790 6421 1 17 . 1 1 16 16 ALA C C 16 179.899 179.899 178.807 1.092 25790 6422 1 17 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.585 0.622 25790 6423 1 17 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.795 0.929 25790 6424 1 17 . 1 1 16 16 ALA H H 16 6.873 6.873 7.802 -0.929 25790 6425 1 17 . 1 1 17 17 VAL N N 17 117.150 117.150 118.321 -1.171 25790 6426 1 17 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.736 -0.022 25790 6427 1 17 . 1 1 17 17 VAL C C 17 178.537 178.537 177.221 1.316 25790 6428 1 17 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.582 1.927 25790 6429 1 17 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.444 0.249 25790 6430 1 17 . 1 1 17 17 VAL H H 17 8.162 8.162 8.272 -0.110 25790 6431 1 17 . 1 1 18 18 GLN N N 18 119.489 119.489 120.413 -0.924 25790 6432 1 17 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.088 -0.031 25790 6433 1 17 . 1 1 18 18 GLN C C 18 180.429 180.429 178.617 1.812 25790 6434 1 17 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.183 0.516 25790 6435 1 17 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.538 0.648 25790 6436 1 17 . 1 1 18 18 GLN H H 18 8.451 8.451 7.998 0.453 25790 6437 1 17 . 1 1 19 19 PHE N N 19 117.940 117.940 117.722 0.218 25790 6438 1 17 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.555 0.275 25790 6439 1 17 . 1 1 19 19 PHE C C 19 177.858 177.858 178.061 -0.203 25790 6440 1 17 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.557 -0.528 25790 6441 1 17 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.386 -2.481 25790 6442 1 17 . 1 1 19 19 PHE H H 19 8.924 8.924 8.654 0.270 25790 6443 1 17 . 1 1 20 20 GLN N N 20 120.297 120.297 120.654 -0.357 25790 6444 1 17 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.949 0.157 25790 6445 1 17 . 1 1 20 20 GLN C C 20 178.986 178.986 178.263 0.723 25790 6446 1 17 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.974 -0.410 25790 6447 1 17 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.514 -0.619 25790 6448 1 17 . 1 1 20 20 GLN H H 20 8.264 8.264 8.233 0.031 25790 6449 1 17 . 1 1 21 21 GLN N N 21 118.595 118.595 118.146 0.449 25790 6450 1 17 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.085 -0.003 25790 6451 1 17 . 1 1 21 21 GLN C C 21 178.806 178.806 178.623 0.183 25790 6452 1 17 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.605 0.564 25790 6453 1 17 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.801 -0.605 25790 6454 1 17 . 1 1 21 21 GLN H H 21 8.527 8.527 7.779 0.748 25790 6455 1 17 . 1 1 22 22 TYR N N 22 119.594 119.594 121.265 -1.671 25790 6456 1 17 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.268 -0.021 25790 6457 1 17 . 1 1 22 22 TYR C C 22 177.789 177.789 177.002 0.787 25790 6458 1 17 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.557 1.155 25790 6459 1 17 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.574 0.150 25790 6460 1 17 . 1 1 22 22 TYR H H 22 7.843 7.843 7.665 0.178 25790 6461 1 17 . 1 1 23 23 ALA N N 23 120.663 120.663 121.387 -0.724 25790 6462 1 17 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.827 0.030 25790 6463 1 17 . 1 1 23 23 ALA C C 23 179.319 179.319 178.587 0.732 25790 6464 1 17 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.848 0.741 25790 6465 1 17 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.276 0.206 25790 6466 1 17 . 1 1 23 23 ALA H H 23 8.612 8.612 8.558 0.054 25790 6467 1 17 . 1 1 24 24 ALA N N 24 119.002 119.002 119.403 -0.401 25790 6468 1 17 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.229 -0.291 25790 6469 1 17 . 1 1 24 24 ALA C C 24 178.987 178.987 178.254 0.733 25790 6470 1 17 . 1 1 24 24 ALA CA C 24 54.317 54.317 53.787 0.530 25790 6471 1 17 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.491 -0.599 25790 6472 1 17 . 1 1 24 24 ALA H H 24 8.168 8.168 7.972 0.196 25790 6473 1 17 . 1 1 25 25 GLN N N 25 115.599 115.599 116.099 -0.500 25790 6474 1 17 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.063 -0.059 25790 6475 1 17 . 1 1 25 25 GLN C C 25 177.818 177.818 177.216 0.602 25790 6476 1 17 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.776 -0.322 25790 6477 1 17 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.619 -0.164 25790 6478 1 17 . 1 1 25 25 GLN H H 25 7.300 7.300 7.463 -0.163 25790 6479 1 17 . 1 1 26 26 GLN N N 26 116.989 116.989 116.729 0.260 25790 6480 1 17 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.918 -0.214 25790 6481 1 17 . 1 1 26 26 GLN C C 26 175.979 175.979 175.975 0.004 25790 6482 1 17 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.068 -0.280 25790 6483 1 17 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.608 -1.528 25790 6484 1 17 . 1 1 26 26 GLN H H 26 7.401 7.401 7.186 0.215 25790 6485 1 17 . 1 1 27 27 TYR N N 27 114.712 114.712 117.500 -2.788 25790 6486 1 17 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.989 0.089 25790 6487 1 17 . 1 1 27 27 TYR C C 27 172.931 172.931 173.564 -0.633 25790 6488 1 17 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.545 0.622 25790 6489 1 17 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.338 1.322 25790 6490 1 17 . 1 1 27 27 TYR H H 27 7.675 7.675 8.283 -0.608 25790 6491 1 17 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.470 -0.108 25790 6492 1 17 . 1 1 28 28 PRO C C 28 179.333 179.333 177.904 1.429 25790 6493 1 17 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.629 0.765 25790 6494 1 17 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.158 -0.904 25790 6495 1 17 . 1 1 29 29 GLY N N 29 110.091 110.091 112.123 -2.032 25790 6496 1 17 . 1 1 29 29 GLY C C 29 173.218 173.218 174.036 -0.818 25790 6497 1 17 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.216 0.696 25790 6498 1 17 . 1 1 29 29 GLY H H 29 8.826 8.826 8.893 -0.067 25790 6499 1 17 . 1 1 30 30 ASN N N 30 118.603 118.603 120.491 -1.888 25790 6500 1 17 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.086 -0.087 25790 6501 1 17 . 1 1 30 30 ASN C C 30 173.977 173.977 174.567 -0.590 25790 6502 1 17 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.566 -0.381 25790 6503 1 17 . 1 1 30 30 ASN CB C 30 38.426 38.426 39.188 -0.762 25790 6504 1 17 . 1 1 30 30 ASN H H 30 7.293 7.293 7.703 -0.410 25790 6505 1 17 . 1 1 31 31 TYR N N 31 125.240 125.240 125.843 -0.603 25790 6506 1 17 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.079 -0.181 25790 6507 1 17 . 1 1 31 31 TYR C C 31 177.343 177.343 176.290 1.053 25790 6508 1 17 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.599 -0.788 25790 6509 1 17 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.850 -0.493 25790 6510 1 17 . 1 1 31 31 TYR H H 31 8.509 8.509 8.793 -0.284 25790 6511 1 17 . 1 1 32 32 GLU N N 32 118.993 118.993 116.609 2.384 25790 6512 1 17 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.646 0.254 25790 6513 1 17 . 1 1 32 32 GLU C C 32 179.549 179.549 178.466 1.083 25790 6514 1 17 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.377 0.735 25790 6515 1 17 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.997 1.171 25790 6516 1 17 . 1 1 32 32 GLU H H 32 8.714 8.714 8.638 0.076 25790 6517 1 17 . 1 1 33 33 GLN N N 33 117.037 117.037 118.435 -1.398 25790 6518 1 17 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.896 -0.163 25790 6519 1 17 . 1 1 33 33 GLN C C 33 179.119 179.119 178.689 0.430 25790 6520 1 17 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.328 -0.626 25790 6521 1 17 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.374 0.252 25790 6522 1 17 . 1 1 33 33 GLN H H 33 7.536 7.536 8.243 -0.707 25790 6523 1 17 . 1 1 34 34 GLN N N 34 117.723 117.723 119.281 -1.558 25790 6524 1 17 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.138 -0.327 25790 6525 1 17 . 1 1 34 34 GLN C C 34 177.634 177.634 178.601 -0.967 25790 6526 1 17 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.487 0.678 25790 6527 1 17 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.497 -0.996 25790 6528 1 17 . 1 1 34 34 GLN H H 34 7.968 7.968 8.447 -0.479 25790 6529 1 17 . 1 1 35 35 GLN N N 35 115.293 115.293 118.574 -3.281 25790 6530 1 17 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.096 -0.305 25790 6531 1 17 . 1 1 35 35 GLN C C 35 178.757 178.757 178.605 0.152 25790 6532 1 17 . 1 1 35 35 GLN CA C 35 58.610 58.610 57.982 0.628 25790 6533 1 17 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.185 0.020 25790 6534 1 17 . 1 1 35 35 GLN H H 35 7.870 7.870 7.523 0.347 25790 6535 1 17 . 1 1 36 36 ILE N N 36 120.769 120.769 121.162 -0.393 25790 6536 1 17 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.665 -0.101 25790 6537 1 17 . 1 1 36 36 ILE C C 36 178.273 178.273 178.125 0.148 25790 6538 1 17 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.278 -0.042 25790 6539 1 17 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.777 0.596 25790 6540 1 17 . 1 1 36 36 ILE H H 36 7.503 7.503 7.689 -0.186 25790 6541 1 17 . 1 1 37 37 LEU N N 37 121.056 121.056 121.358 -0.302 25790 6542 1 17 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.103 0.206 25790 6543 1 17 . 1 1 37 37 LEU C C 37 178.348 178.348 178.320 0.028 25790 6544 1 17 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.017 -0.283 25790 6545 1 17 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.784 -0.268 25790 6546 1 17 . 1 1 37 37 LEU H H 37 7.678 7.678 7.918 -0.240 25790 6547 1 17 . 1 1 38 38 ILE N N 38 119.334 119.334 119.139 0.195 25790 6548 1 17 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.604 -0.263 25790 6549 1 17 . 1 1 38 38 ILE C C 38 177.371 177.371 178.116 -0.745 25790 6550 1 17 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.738 1.347 25790 6551 1 17 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.638 0.711 25790 6552 1 17 . 1 1 38 38 ILE H H 38 8.702 8.702 8.049 0.653 25790 6553 1 17 . 1 1 39 39 ARG N N 39 117.798 117.798 118.559 -0.761 25790 6554 1 17 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.872 0.343 25790 6555 1 17 . 1 1 39 39 ARG C C 39 179.555 179.555 178.714 0.841 25790 6556 1 17 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.260 -0.801 25790 6557 1 17 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.906 -0.154 25790 6558 1 17 . 1 1 39 39 ARG H H 39 7.739 7.739 8.005 -0.266 25790 6559 1 17 . 1 1 40 40 GLN N N 40 119.432 119.432 119.635 -0.203 25790 6560 1 17 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.145 -0.008 25790 6561 1 17 . 1 1 40 40 GLN C C 40 179.522 179.522 178.481 1.041 25790 6562 1 17 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.584 0.676 25790 6563 1 17 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.041 0.317 25790 6564 1 17 . 1 1 40 40 GLN H H 40 7.811 7.811 7.700 0.111 25790 6565 1 17 . 1 1 41 41 LEU N N 41 121.592 121.592 119.806 1.786 25790 6566 1 17 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.901 -0.214 25790 6567 1 17 . 1 1 41 41 LEU C C 41 178.974 178.974 179.556 -0.582 25790 6568 1 17 . 1 1 41 41 LEU CA C 41 57.963 57.963 58.008 -0.045 25790 6569 1 17 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.184 -1.332 25790 6570 1 17 . 1 1 41 41 LEU H H 41 8.648 8.648 8.180 0.468 25790 6571 1 17 . 1 1 42 42 GLN N N 42 119.054 119.054 118.446 0.608 25790 6572 1 17 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.203 0.341 25790 6573 1 17 . 1 1 42 42 GLN C C 42 180.176 180.176 178.960 1.216 25790 6574 1 17 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.492 -0.258 25790 6575 1 17 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.780 -0.860 25790 6576 1 17 . 1 1 42 42 GLN H H 42 8.641 8.641 8.485 0.156 25790 6577 1 17 . 1 1 43 43 GLU N N 43 121.517 121.517 118.967 2.550 25790 6578 1 17 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.015 0.221 25790 6579 1 17 . 1 1 43 43 GLU C C 43 179.721 179.721 178.693 1.028 25790 6580 1 17 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.244 0.423 25790 6581 1 17 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.480 -0.222 25790 6582 1 17 . 1 1 43 43 GLU H H 43 8.111 8.111 7.974 0.137 25790 6583 1 17 . 1 1 44 44 GLN N N 44 119.240 119.240 119.016 0.224 25790 6584 1 17 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.135 -0.019 25790 6585 1 17 . 1 1 44 44 GLN C C 44 179.012 179.012 178.952 0.060 25790 6586 1 17 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.821 0.328 25790 6587 1 17 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.857 -0.003 25790 6588 1 17 . 1 1 44 44 GLN H H 44 8.372 8.372 7.857 0.515 25790 6589 1 17 . 1 1 45 45 HIS N N 45 121.705 121.705 118.885 2.820 25790 6590 1 17 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.435 -0.155 25790 6591 1 17 . 1 1 45 45 HIS C C 45 176.395 176.395 177.294 -0.899 25790 6592 1 17 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.137 1.222 25790 6593 1 17 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.205 2.120 25790 6594 1 17 . 1 1 45 45 HIS H H 45 9.472 9.472 8.490 0.982 25790 6595 1 17 . 1 1 46 46 TYR N N 46 119.039 119.039 121.597 -2.558 25790 6596 1 17 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.155 -0.306 25790 6597 1 17 . 1 1 46 46 TYR C C 46 176.664 176.664 177.504 -0.840 25790 6598 1 17 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.044 0.207 25790 6599 1 17 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.314 -0.642 25790 6600 1 17 . 1 1 46 46 TYR H H 46 8.253 8.253 8.018 0.235 25790 6601 1 17 . 1 1 47 47 GLN N N 47 116.407 116.407 117.056 -0.649 25790 6602 1 17 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.953 -0.169 25790 6603 1 17 . 1 1 47 47 GLN C C 47 179.048 179.048 178.564 0.484 25790 6604 1 17 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.035 -0.086 25790 6605 1 17 . 1 1 47 47 GLN CB C 47 28.181 28.181 27.860 0.321 25790 6606 1 17 . 1 1 47 47 GLN H H 47 7.814 7.814 8.002 -0.188 25790 6607 1 17 . 1 1 48 48 GLN N N 48 119.803 119.803 120.449 -0.646 25790 6608 1 17 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.060 -0.083 25790 6609 1 17 . 1 1 48 48 GLN C C 48 177.741 177.741 178.398 -0.657 25790 6610 1 17 . 1 1 48 48 GLN CA C 48 58.314 58.314 59.062 -0.748 25790 6611 1 17 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.382 -0.054 25790 6612 1 17 . 1 1 48 48 GLN H H 48 8.645 8.645 7.689 0.956 25790 6613 1 17 . 1 1 49 49 TYR N N 49 121.342 121.342 121.037 0.305 25790 6614 1 17 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.101 -0.461 25790 6615 1 17 . 1 1 49 49 TYR C C 49 176.021 176.021 177.645 -1.624 25790 6616 1 17 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.748 0.361 25790 6617 1 17 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.430 0.477 25790 6618 1 17 . 1 1 49 49 TYR H H 49 9.105 9.105 8.015 1.090 25790 6619 1 17 . 1 1 50 50 MET N N 50 115.522 115.522 118.624 -3.102 25790 6620 1 17 . 1 1 50 50 MET HA H 50 4.040 4.040 3.812 0.228 25790 6621 1 17 . 1 1 50 50 MET C C 50 179.841 179.841 178.094 1.747 25790 6622 1 17 . 1 1 50 50 MET CA C 50 56.623 56.623 58.482 -1.859 25790 6623 1 17 . 1 1 50 50 MET CB C 50 30.099 30.099 32.355 -2.256 25790 6624 1 17 . 1 1 50 50 MET H H 50 8.060 8.060 8.239 -0.179 25790 6625 1 17 . 1 1 51 51 GLN N N 51 118.942 118.942 118.437 0.505 25790 6626 1 17 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.909 0.156 25790 6627 1 17 . 1 1 51 51 GLN C C 51 178.707 178.707 178.302 0.405 25790 6628 1 17 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.200 -0.259 25790 6629 1 17 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.649 -0.161 25790 6630 1 17 . 1 1 51 51 GLN H H 51 7.830 7.830 8.222 -0.392 25790 6631 1 17 . 1 1 52 52 GLN N N 52 119.210 119.210 120.021 -0.811 25790 6632 1 17 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.045 0.012 25790 6633 1 17 . 1 1 52 52 GLN C C 52 178.738 178.738 178.411 0.327 25790 6634 1 17 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.243 0.506 25790 6635 1 17 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.169 0.234 25790 6636 1 17 . 1 1 52 52 GLN H H 52 8.187 8.187 7.763 0.424 25790 6637 1 17 . 1 1 53 53 LEU N N 53 121.233 121.233 119.723 1.510 25790 6638 1 17 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.848 -0.007 25790 6639 1 17 . 1 1 53 53 LEU C C 53 179.191 179.191 178.726 0.465 25790 6640 1 17 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.498 0.247 25790 6641 1 17 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.456 0.410 25790 6642 1 17 . 1 1 53 53 LEU H H 53 8.441 8.441 7.980 0.461 25790 6643 1 17 . 1 1 54 54 TYR N N 54 118.505 118.505 119.970 -1.465 25790 6644 1 17 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.019 0.299 25790 6645 1 17 . 1 1 54 54 TYR C C 54 177.535 177.535 177.243 0.292 25790 6646 1 17 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.541 -1.064 25790 6647 1 17 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.988 -0.202 25790 6648 1 17 . 1 1 54 54 TYR H H 54 7.819 7.819 7.735 0.084 25790 6649 1 17 . 1 1 55 55 GLN N N 55 117.299 117.299 118.587 -1.288 25790 6650 1 17 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.474 0.425 25790 6651 1 17 . 1 1 55 55 GLN C C 55 179.041 179.041 178.245 0.796 25790 6652 1 17 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.762 -0.053 25790 6653 1 17 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.626 -0.411 25790 6654 1 17 . 1 1 55 55 GLN H H 55 7.735 7.735 7.605 0.130 25790 6655 1 17 . 1 1 56 56 VAL N N 56 120.879 120.879 120.671 0.208 25790 6656 1 17 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.580 0.212 25790 6657 1 17 . 1 1 56 56 VAL C C 56 178.262 178.262 177.844 0.418 25790 6658 1 17 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.428 -0.486 25790 6659 1 17 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.111 0.768 25790 6660 1 17 . 1 1 56 56 VAL H H 56 8.014 8.014 8.149 -0.135 25790 6661 1 17 . 1 1 57 57 GLN N N 57 120.513 120.513 119.588 0.925 25790 6662 1 17 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.914 0.146 25790 6663 1 17 . 1 1 57 57 GLN C C 57 178.772 178.772 178.709 0.063 25790 6664 1 17 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.475 -0.859 25790 6665 1 17 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.643 -0.658 25790 6666 1 17 . 1 1 57 57 GLN H H 57 8.103 8.103 7.939 0.164 25790 6667 1 17 . 1 1 58 58 LEU N N 58 121.244 121.244 119.545 1.699 25790 6668 1 17 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.887 0.118 25790 6669 1 17 . 1 1 58 58 LEU C C 58 179.134 179.134 178.595 0.539 25790 6670 1 17 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.446 0.060 25790 6671 1 17 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.339 0.465 25790 6672 1 17 . 1 1 58 58 LEU H H 58 8.176 8.176 7.850 0.326 25790 6673 1 17 . 1 1 59 59 ALA N N 59 121.608 121.608 121.517 0.091 25790 6674 1 17 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.855 0.310 25790 6675 1 17 . 1 1 59 59 ALA C C 59 180.497 180.497 179.909 0.588 25790 6676 1 17 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.117 -0.534 25790 6677 1 17 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.949 0.104 25790 6678 1 17 . 1 1 59 59 ALA H H 59 7.833 7.833 8.152 -0.319 25790 6679 1 17 . 1 1 60 60 GLN N N 60 118.335 118.335 117.658 0.677 25790 6680 1 17 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.930 0.218 25790 6681 1 17 . 1 1 60 60 GLN C C 60 178.334 178.334 178.883 -0.549 25790 6682 1 17 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.809 -0.832 25790 6683 1 17 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.581 -0.146 25790 6684 1 17 . 1 1 60 60 GLN H H 60 8.081 8.081 7.825 0.256 25790 6685 1 17 . 1 1 61 61 GLN N N 61 120.206 120.206 118.726 1.480 25790 6686 1 17 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.004 0.158 25790 6687 1 17 . 1 1 61 61 GLN C C 61 178.002 178.002 178.851 -0.849 25790 6688 1 17 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.788 -0.883 25790 6689 1 17 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.358 0.221 25790 6690 1 17 . 1 1 61 61 GLN H H 61 8.111 8.111 7.845 0.266 25790 6691 1 17 . 1 1 62 62 GLN N N 62 118.980 118.980 117.736 1.244 25790 6692 1 17 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.045 0.084 25790 6693 1 17 . 1 1 62 62 GLN C C 62 177.624 177.624 178.255 -0.631 25790 6694 1 17 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.734 -1.098 25790 6695 1 17 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.450 0.186 25790 6696 1 17 . 1 1 62 62 GLN H H 62 8.203 8.203 8.456 -0.253 25790 6697 1 17 . 1 1 63 63 ALA N N 63 122.712 122.712 120.775 1.937 25790 6698 1 17 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.123 0.083 25790 6699 1 17 . 1 1 63 63 ALA C C 63 178.922 178.922 178.258 0.664 25790 6700 1 17 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.126 -0.230 25790 6701 1 17 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.262 0.197 25790 6702 1 17 . 1 1 63 63 ALA H H 63 8.004 8.004 7.866 0.138 25790 6703 1 17 . 1 1 64 64 ALA N N 64 120.813 120.813 120.561 0.252 25790 6704 1 17 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.203 0.029 25790 6705 1 17 . 1 1 64 64 ALA C C 64 178.732 178.732 178.483 0.249 25790 6706 1 17 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.787 -0.271 25790 6707 1 17 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.342 -0.712 25790 6708 1 17 . 1 1 64 64 ALA H H 64 7.837 7.837 7.555 0.282 25790 6709 1 17 . 1 1 65 65 LEU N N 65 119.196 119.196 118.962 0.234 25790 6710 1 17 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.209 0.048 25790 6711 1 17 . 1 1 65 65 LEU C C 65 178.038 178.038 177.769 0.269 25790 6712 1 17 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.868 -0.047 25790 6713 1 17 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.747 -0.483 25790 6714 1 17 . 1 1 65 65 LEU H H 65 7.765 7.765 7.602 0.163 25790 6715 1 17 . 1 1 66 66 GLN N N 66 119.365 119.365 114.247 5.118 25790 6716 1 17 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.888 0.387 25790 6717 1 17 . 1 1 66 66 GLN C C 66 176.120 176.120 174.741 1.379 25790 6718 1 17 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.992 -0.925 25790 6719 1 17 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.236 2.896 25790 6720 1 17 . 1 1 66 66 GLN H H 66 7.967 7.967 8.021 -0.054 25790 6721 1 17 . 1 1 67 67 LYS N N 67 121.521 121.521 119.475 2.046 25790 6722 1 17 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.430 -0.121 25790 6723 1 17 . 1 1 67 67 LYS C C 67 176.437 176.437 175.351 1.086 25790 6724 1 17 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.978 0.410 25790 6725 1 17 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.824 -0.783 25790 6726 1 17 . 1 1 67 67 LYS H H 67 8.053 8.053 8.027 0.026 25790 6727 1 17 . 1 1 68 68 GLN N N 68 121.970 121.970 121.352 0.618 25790 6728 1 17 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.997 0.342 25790 6729 1 17 . 1 1 68 68 GLN C C 68 175.120 175.120 175.698 -0.578 25790 6730 1 17 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.614 -0.614 25790 6731 1 17 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.434 2.064 25790 6732 1 17 . 1 1 68 68 GLN H H 68 8.314 8.314 8.616 -0.302 25790 6733 1 18 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.493 -0.046 25790 6734 1 18 . 1 1 2 2 GLN C C 2 176.144 176.144 176.691 -0.547 25790 6735 1 18 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.630 0.579 25790 6736 1 18 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.632 -0.173 25790 6737 1 18 . 1 1 3 3 GLN N N 3 122.052 122.052 122.580 -0.528 25790 6738 1 18 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.218 0.105 25790 6739 1 18 . 1 1 3 3 GLN C C 3 176.988 176.988 176.363 0.625 25790 6740 1 18 . 1 1 3 3 GLN CA C 3 57.403 57.403 56.358 1.045 25790 6741 1 18 . 1 1 3 3 GLN CB C 3 29.239 29.239 26.464 2.775 25790 6742 1 18 . 1 1 3 3 GLN H H 3 8.780 8.780 8.934 -0.154 25790 6743 1 18 . 1 1 4 4 LYS N N 4 121.855 121.855 120.807 1.048 25790 6744 1 18 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.100 -0.096 25790 6745 1 18 . 1 1 4 4 LYS C C 4 177.638 177.638 178.216 -0.578 25790 6746 1 18 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.672 0.567 25790 6747 1 18 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.459 0.240 25790 6748 1 18 . 1 1 4 4 LYS H H 4 8.528 8.528 8.485 0.043 25790 6749 1 18 . 1 1 5 5 GLN N N 5 116.397 116.397 117.678 -1.281 25790 6750 1 18 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.990 -0.049 25790 6751 1 18 . 1 1 5 5 GLN C C 5 178.761 178.761 178.230 0.531 25790 6752 1 18 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.694 0.655 25790 6753 1 18 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.975 -0.025 25790 6754 1 18 . 1 1 5 5 GLN H H 5 8.223 8.223 8.517 -0.294 25790 6755 1 18 . 1 1 6 6 GLN N N 6 119.262 119.262 118.593 0.669 25790 6756 1 18 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.094 0.034 25790 6757 1 18 . 1 1 6 6 GLN C C 6 179.018 179.018 178.597 0.421 25790 6758 1 18 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.452 0.637 25790 6759 1 18 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.285 0.425 25790 6760 1 18 . 1 1 6 6 GLN H H 6 7.848 7.848 7.742 0.106 25790 6761 1 18 . 1 1 7 7 ILE N N 7 121.296 121.296 120.629 0.667 25790 6762 1 18 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.743 -0.160 25790 6763 1 18 . 1 1 7 7 ILE C C 7 177.833 177.833 177.913 -0.080 25790 6764 1 18 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.524 0.605 25790 6765 1 18 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.881 0.325 25790 6766 1 18 . 1 1 7 7 ILE H H 7 8.095 8.095 7.536 0.559 25790 6767 1 18 . 1 1 8 8 MET N N 8 117.603 117.603 118.960 -1.357 25790 6768 1 18 . 1 1 8 8 MET HA H 8 3.985 3.985 3.857 0.128 25790 6769 1 18 . 1 1 8 8 MET C C 8 177.355 177.355 178.181 -0.826 25790 6770 1 18 . 1 1 8 8 MET CA C 8 59.932 59.932 59.290 0.642 25790 6771 1 18 . 1 1 8 8 MET CB C 8 32.721 32.721 31.991 0.730 25790 6772 1 18 . 1 1 8 8 MET H H 8 8.672 8.672 7.762 0.910 25790 6773 1 18 . 1 1 9 9 ALA N N 9 118.774 118.774 121.683 -2.909 25790 6774 1 18 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.883 0.163 25790 6775 1 18 . 1 1 9 9 ALA C C 9 180.546 180.546 179.054 1.492 25790 6776 1 18 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.135 0.250 25790 6777 1 18 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.012 -0.114 25790 6778 1 18 . 1 1 9 9 ALA H H 9 7.795 7.795 8.272 -0.477 25790 6779 1 18 . 1 1 10 10 ALA N N 10 120.854 120.854 121.366 -0.512 25790 6780 1 18 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.014 0.191 25790 6781 1 18 . 1 1 10 10 ALA C C 10 181.200 181.200 179.707 1.493 25790 6782 1 18 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.893 0.119 25790 6783 1 18 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.255 1.006 25790 6784 1 18 . 1 1 10 10 ALA H H 10 7.438 7.438 7.578 -0.140 25790 6785 1 18 . 1 1 11 11 LEU N N 11 120.775 120.775 118.225 2.550 25790 6786 1 18 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.795 -0.047 25790 6787 1 18 . 1 1 11 11 LEU C C 11 179.041 179.041 179.483 -0.442 25790 6788 1 18 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.656 0.691 25790 6789 1 18 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.477 -1.500 25790 6790 1 18 . 1 1 11 11 LEU H H 11 8.757 8.757 7.983 0.774 25790 6791 1 18 . 1 1 12 12 ASN N N 12 116.313 116.313 118.314 -2.001 25790 6792 1 18 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.501 0.063 25790 6793 1 18 . 1 1 12 12 ASN C C 12 178.900 178.900 177.794 1.106 25790 6794 1 18 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.608 -1.543 25790 6795 1 18 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.676 -0.683 25790 6796 1 18 . 1 1 12 12 ASN H H 12 8.850 8.850 8.621 0.229 25790 6797 1 18 . 1 1 13 13 SER N N 13 114.747 114.747 115.431 -0.684 25790 6798 1 18 . 1 1 13 13 SER HA H 13 4.370 4.370 4.178 0.192 25790 6799 1 18 . 1 1 13 13 SER C C 13 176.515 176.515 176.190 0.325 25790 6800 1 18 . 1 1 13 13 SER CA C 13 61.141 61.141 61.183 -0.042 25790 6801 1 18 . 1 1 13 13 SER CB C 13 63.044 63.044 62.982 0.062 25790 6802 1 18 . 1 1 13 13 SER H H 13 7.672 7.672 7.777 -0.105 25790 6803 1 18 . 1 1 14 14 GLN N N 14 119.954 119.954 117.196 2.758 25790 6804 1 18 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.195 0.023 25790 6805 1 18 . 1 1 14 14 GLN C C 14 178.208 178.208 177.563 0.645 25790 6806 1 18 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.511 0.237 25790 6807 1 18 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.895 -0.195 25790 6808 1 18 . 1 1 14 14 GLN H H 14 7.573 7.573 7.518 0.055 25790 6809 1 18 . 1 1 15 15 THR N N 15 107.493 107.493 107.737 -0.244 25790 6810 1 18 . 1 1 15 15 THR HA H 15 3.899 3.899 4.271 -0.372 25790 6811 1 18 . 1 1 15 15 THR C C 15 174.683 174.683 174.937 -0.254 25790 6812 1 18 . 1 1 15 15 THR CA C 15 61.551 61.551 61.435 0.116 25790 6813 1 18 . 1 1 15 15 THR CB C 15 69.226 69.226 69.465 -0.239 25790 6814 1 18 . 1 1 15 15 THR H H 15 7.741 7.741 7.383 0.358 25790 6815 1 18 . 1 1 16 16 ALA N N 16 124.034 124.034 125.937 -1.903 25790 6816 1 18 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.015 0.120 25790 6817 1 18 . 1 1 16 16 ALA C C 16 179.899 179.899 178.939 0.960 25790 6818 1 18 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.585 0.622 25790 6819 1 18 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.747 0.977 25790 6820 1 18 . 1 1 16 16 ALA H H 16 6.873 6.873 7.789 -0.916 25790 6821 1 18 . 1 1 17 17 VAL N N 17 117.150 117.150 118.532 -1.382 25790 6822 1 18 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.765 -0.051 25790 6823 1 18 . 1 1 17 17 VAL C C 17 178.537 178.537 177.232 1.305 25790 6824 1 18 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.240 1.268 25790 6825 1 18 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.036 0.657 25790 6826 1 18 . 1 1 17 17 VAL H H 17 8.162 8.162 8.345 -0.183 25790 6827 1 18 . 1 1 18 18 GLN N N 18 119.489 119.489 120.236 -0.747 25790 6828 1 18 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.045 0.012 25790 6829 1 18 . 1 1 18 18 GLN C C 18 180.429 180.429 178.631 1.798 25790 6830 1 18 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.236 0.463 25790 6831 1 18 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.403 0.783 25790 6832 1 18 . 1 1 18 18 GLN H H 18 8.451 8.451 8.104 0.347 25790 6833 1 18 . 1 1 19 19 PHE N N 19 117.940 117.940 118.328 -0.388 25790 6834 1 18 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.509 0.321 25790 6835 1 18 . 1 1 19 19 PHE C C 19 177.858 177.858 178.009 -0.151 25790 6836 1 18 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.251 -1.222 25790 6837 1 18 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.326 -2.421 25790 6838 1 18 . 1 1 19 19 PHE H H 19 8.924 8.924 8.548 0.376 25790 6839 1 18 . 1 1 20 20 GLN N N 20 120.297 120.297 121.044 -0.747 25790 6840 1 18 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.951 0.155 25790 6841 1 18 . 1 1 20 20 GLN C C 20 178.986 178.986 178.280 0.706 25790 6842 1 18 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.826 -0.263 25790 6843 1 18 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.649 -0.754 25790 6844 1 18 . 1 1 20 20 GLN H H 20 8.264 8.264 8.392 -0.128 25790 6845 1 18 . 1 1 21 21 GLN N N 21 118.595 118.595 117.820 0.775 25790 6846 1 18 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.051 0.031 25790 6847 1 18 . 1 1 21 21 GLN C C 21 178.806 178.806 178.686 0.120 25790 6848 1 18 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.821 0.349 25790 6849 1 18 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.569 -0.373 25790 6850 1 18 . 1 1 21 21 GLN H H 21 8.527 8.527 7.941 0.586 25790 6851 1 18 . 1 1 22 22 TYR N N 22 119.594 119.594 121.344 -1.750 25790 6852 1 18 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.098 0.149 25790 6853 1 18 . 1 1 22 22 TYR C C 22 177.789 177.789 177.061 0.728 25790 6854 1 18 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.972 0.740 25790 6855 1 18 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.432 0.291 25790 6856 1 18 . 1 1 22 22 TYR H H 22 7.843 7.843 7.719 0.124 25790 6857 1 18 . 1 1 23 23 ALA N N 23 120.663 120.663 121.188 -0.525 25790 6858 1 18 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.688 0.169 25790 6859 1 18 . 1 1 23 23 ALA C C 23 179.319 179.319 178.707 0.612 25790 6860 1 18 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.882 0.707 25790 6861 1 18 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.255 0.227 25790 6862 1 18 . 1 1 23 23 ALA H H 23 8.612 8.612 8.751 -0.139 25790 6863 1 18 . 1 1 24 24 ALA N N 24 119.002 119.002 119.593 -0.591 25790 6864 1 18 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.072 -0.134 25790 6865 1 18 . 1 1 24 24 ALA C C 24 178.987 178.987 178.918 0.069 25790 6866 1 18 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.402 -0.085 25790 6867 1 18 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.511 -0.620 25790 6868 1 18 . 1 1 24 24 ALA H H 24 8.168 8.168 8.181 -0.013 25790 6869 1 18 . 1 1 25 25 GLN N N 25 115.599 115.599 116.073 -0.474 25790 6870 1 18 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.063 -0.059 25790 6871 1 18 . 1 1 25 25 GLN C C 25 177.818 177.818 177.275 0.543 25790 6872 1 18 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.874 -0.420 25790 6873 1 18 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.762 -0.307 25790 6874 1 18 . 1 1 25 25 GLN H H 25 7.300 7.300 7.520 -0.220 25790 6875 1 18 . 1 1 26 26 GLN N N 26 116.989 116.989 116.907 0.082 25790 6876 1 18 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.960 -0.256 25790 6877 1 18 . 1 1 26 26 GLN C C 26 175.979 175.979 176.096 -0.117 25790 6878 1 18 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.719 0.069 25790 6879 1 18 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.272 -1.192 25790 6880 1 18 . 1 1 26 26 GLN H H 26 7.401 7.401 7.221 0.180 25790 6881 1 18 . 1 1 27 27 TYR N N 27 114.712 114.712 118.265 -3.553 25790 6882 1 18 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.969 0.109 25790 6883 1 18 . 1 1 27 27 TYR C C 27 172.931 172.931 173.686 -0.755 25790 6884 1 18 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.211 0.956 25790 6885 1 18 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.138 1.522 25790 6886 1 18 . 1 1 27 27 TYR H H 27 7.675 7.675 8.177 -0.502 25790 6887 1 18 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.509 -0.147 25790 6888 1 18 . 1 1 28 28 PRO C C 28 179.333 179.333 177.788 1.545 25790 6889 1 18 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.903 0.491 25790 6890 1 18 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.457 -1.203 25790 6891 1 18 . 1 1 29 29 GLY N N 29 110.091 110.091 113.271 -3.180 25790 6892 1 18 . 1 1 29 29 GLY C C 29 173.218 173.218 174.553 -1.335 25790 6893 1 18 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.246 0.666 25790 6894 1 18 . 1 1 29 29 GLY H H 29 8.826 8.826 8.694 0.132 25790 6895 1 18 . 1 1 30 30 ASN N N 30 118.603 118.603 122.134 -3.531 25790 6896 1 18 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.020 -0.021 25790 6897 1 18 . 1 1 30 30 ASN C C 30 173.977 173.977 174.935 -0.958 25790 6898 1 18 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.893 -0.708 25790 6899 1 18 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.217 0.209 25790 6900 1 18 . 1 1 30 30 ASN H H 30 7.293 7.293 7.738 -0.445 25790 6901 1 18 . 1 1 31 31 TYR N N 31 125.240 125.240 126.093 -0.853 25790 6902 1 18 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.114 -0.216 25790 6903 1 18 . 1 1 31 31 TYR C C 31 177.343 177.343 176.611 0.732 25790 6904 1 18 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.276 -0.465 25790 6905 1 18 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.865 -0.508 25790 6906 1 18 . 1 1 31 31 TYR H H 31 8.509 8.509 8.005 0.504 25790 6907 1 18 . 1 1 32 32 GLU N N 32 118.993 118.993 116.726 2.267 25790 6908 1 18 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.715 0.185 25790 6909 1 18 . 1 1 32 32 GLU C C 32 179.549 179.549 178.551 0.998 25790 6910 1 18 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.492 0.620 25790 6911 1 18 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.017 1.151 25790 6912 1 18 . 1 1 32 32 GLU H H 32 8.714 8.714 8.763 -0.049 25790 6913 1 18 . 1 1 33 33 GLN N N 33 117.037 117.037 118.634 -1.597 25790 6914 1 18 . 1 1 33 33 GLN HA H 33 3.733 3.733 4.006 -0.273 25790 6915 1 18 . 1 1 33 33 GLN C C 33 179.119 179.119 178.758 0.361 25790 6916 1 18 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.468 -0.766 25790 6917 1 18 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.671 -0.045 25790 6918 1 18 . 1 1 33 33 GLN H H 33 7.536 7.536 8.302 -0.766 25790 6919 1 18 . 1 1 34 34 GLN N N 34 117.723 117.723 119.699 -1.976 25790 6920 1 18 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.095 -0.284 25790 6921 1 18 . 1 1 34 34 GLN C C 34 177.634 177.634 178.650 -1.016 25790 6922 1 18 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.575 0.590 25790 6923 1 18 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.489 -0.988 25790 6924 1 18 . 1 1 34 34 GLN H H 34 7.968 7.968 8.582 -0.614 25790 6925 1 18 . 1 1 35 35 GLN N N 35 115.293 115.293 118.605 -3.312 25790 6926 1 18 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.056 -0.265 25790 6927 1 18 . 1 1 35 35 GLN C C 35 178.757 178.757 178.628 0.129 25790 6928 1 18 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.403 0.207 25790 6929 1 18 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.315 -0.110 25790 6930 1 18 . 1 1 35 35 GLN H H 35 7.870 7.870 7.625 0.245 25790 6931 1 18 . 1 1 36 36 ILE N N 36 120.769 120.769 121.057 -0.288 25790 6932 1 18 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.682 -0.118 25790 6933 1 18 . 1 1 36 36 ILE C C 36 178.273 178.273 178.169 0.104 25790 6934 1 18 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.239 -0.003 25790 6935 1 18 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.762 0.611 25790 6936 1 18 . 1 1 36 36 ILE H H 36 7.503 7.503 7.718 -0.215 25790 6937 1 18 . 1 1 37 37 LEU N N 37 121.056 121.056 121.734 -0.678 25790 6938 1 18 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.081 0.228 25790 6939 1 18 . 1 1 37 37 LEU C C 37 178.348 178.348 178.232 0.116 25790 6940 1 18 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.179 -0.445 25790 6941 1 18 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.717 -0.201 25790 6942 1 18 . 1 1 37 37 LEU H H 37 7.678 7.678 8.394 -0.716 25790 6943 1 18 . 1 1 38 38 ILE N N 38 119.334 119.334 119.443 -0.109 25790 6944 1 18 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.532 -0.191 25790 6945 1 18 . 1 1 38 38 ILE C C 38 177.371 177.371 177.898 -0.527 25790 6946 1 18 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.889 1.196 25790 6947 1 18 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.627 0.722 25790 6948 1 18 . 1 1 38 38 ILE H H 38 8.702 8.702 8.044 0.658 25790 6949 1 18 . 1 1 39 39 ARG N N 39 117.798 117.798 120.371 -2.573 25790 6950 1 18 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.029 0.186 25790 6951 1 18 . 1 1 39 39 ARG C C 39 179.555 179.555 178.629 0.926 25790 6952 1 18 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.265 0.194 25790 6953 1 18 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.705 0.047 25790 6954 1 18 . 1 1 39 39 ARG H H 39 7.739 7.739 8.203 -0.464 25790 6955 1 18 . 1 1 40 40 GLN N N 40 119.432 119.432 119.509 -0.077 25790 6956 1 18 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.135 0.002 25790 6957 1 18 . 1 1 40 40 GLN C C 40 179.522 179.522 178.625 0.897 25790 6958 1 18 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.082 0.178 25790 6959 1 18 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.608 -0.250 25790 6960 1 18 . 1 1 40 40 GLN H H 40 7.811 7.811 7.938 -0.127 25790 6961 1 18 . 1 1 41 41 LEU N N 41 121.592 121.592 119.649 1.943 25790 6962 1 18 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.975 -0.288 25790 6963 1 18 . 1 1 41 41 LEU C C 41 178.974 178.974 179.744 -0.770 25790 6964 1 18 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.564 0.399 25790 6965 1 18 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.142 -1.290 25790 6966 1 18 . 1 1 41 41 LEU H H 41 8.648 8.648 8.435 0.213 25790 6967 1 18 . 1 1 42 42 GLN N N 42 119.054 119.054 119.177 -0.123 25790 6968 1 18 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.282 0.262 25790 6969 1 18 . 1 1 42 42 GLN C C 42 180.176 180.176 178.928 1.248 25790 6970 1 18 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.693 -0.459 25790 6971 1 18 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.928 -1.008 25790 6972 1 18 . 1 1 42 42 GLN H H 42 8.641 8.641 8.772 -0.131 25790 6973 1 18 . 1 1 43 43 GLU N N 43 121.517 121.517 119.783 1.734 25790 6974 1 18 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.138 0.098 25790 6975 1 18 . 1 1 43 43 GLU C C 43 179.721 179.721 178.814 0.907 25790 6976 1 18 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.361 0.306 25790 6977 1 18 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.452 -0.194 25790 6978 1 18 . 1 1 43 43 GLU H H 43 8.111 8.111 8.132 -0.021 25790 6979 1 18 . 1 1 44 44 GLN N N 44 119.240 119.240 120.227 -0.987 25790 6980 1 18 . 1 1 44 44 GLN HA H 44 4.116 4.116 3.983 0.133 25790 6981 1 18 . 1 1 44 44 GLN C C 44 179.012 179.012 178.723 0.289 25790 6982 1 18 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.200 -0.051 25790 6983 1 18 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.692 0.162 25790 6984 1 18 . 1 1 44 44 GLN H H 44 8.372 8.372 8.337 0.035 25790 6985 1 18 . 1 1 45 45 HIS N N 45 121.705 121.705 118.066 3.639 25790 6986 1 18 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.439 -0.159 25790 6987 1 18 . 1 1 45 45 HIS C C 45 176.395 176.395 177.643 -1.248 25790 6988 1 18 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.960 0.399 25790 6989 1 18 . 1 1 45 45 HIS CB C 45 32.325 32.325 29.980 2.345 25790 6990 1 18 . 1 1 45 45 HIS H H 45 9.472 9.472 8.248 1.224 25790 6991 1 18 . 1 1 46 46 TYR N N 46 119.039 119.039 121.666 -2.627 25790 6992 1 18 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.234 -0.385 25790 6993 1 18 . 1 1 46 46 TYR C C 46 176.664 176.664 177.696 -1.032 25790 6994 1 18 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.833 0.418 25790 6995 1 18 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.325 -0.653 25790 6996 1 18 . 1 1 46 46 TYR H H 46 8.253 8.253 8.621 -0.368 25790 6997 1 18 . 1 1 47 47 GLN N N 47 116.407 116.407 118.026 -1.619 25790 6998 1 18 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.819 -0.035 25790 6999 1 18 . 1 1 47 47 GLN C C 47 179.048 179.048 178.143 0.905 25790 7000 1 18 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.218 -0.269 25790 7001 1 18 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.380 -0.199 25790 7002 1 18 . 1 1 47 47 GLN H H 47 7.814 7.814 8.340 -0.526 25790 7003 1 18 . 1 1 48 48 GLN N N 48 119.803 119.803 120.241 -0.438 25790 7004 1 18 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.991 -0.014 25790 7005 1 18 . 1 1 48 48 GLN C C 48 177.741 177.741 178.266 -0.525 25790 7006 1 18 . 1 1 48 48 GLN CA C 48 58.314 58.314 59.070 -0.756 25790 7007 1 18 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.714 -0.386 25790 7008 1 18 . 1 1 48 48 GLN H H 48 8.645 8.645 7.608 1.037 25790 7009 1 18 . 1 1 49 49 TYR N N 49 121.342 121.342 121.194 0.148 25790 7010 1 18 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.281 -0.641 25790 7011 1 18 . 1 1 49 49 TYR C C 49 176.021 176.021 177.872 -1.851 25790 7012 1 18 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.322 0.787 25790 7013 1 18 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.392 0.515 25790 7014 1 18 . 1 1 49 49 TYR H H 49 9.105 9.105 8.636 0.469 25790 7015 1 18 . 1 1 50 50 MET N N 50 115.522 115.522 118.552 -3.030 25790 7016 1 18 . 1 1 50 50 MET HA H 50 4.040 4.040 3.844 0.196 25790 7017 1 18 . 1 1 50 50 MET C C 50 179.841 179.841 178.049 1.792 25790 7018 1 18 . 1 1 50 50 MET CA C 50 56.623 56.623 58.598 -1.975 25790 7019 1 18 . 1 1 50 50 MET CB C 50 30.099 30.099 32.317 -2.218 25790 7020 1 18 . 1 1 50 50 MET H H 50 8.060 8.060 8.303 -0.243 25790 7021 1 18 . 1 1 51 51 GLN N N 51 118.942 118.942 117.805 1.137 25790 7022 1 18 . 1 1 51 51 GLN HA H 51 4.065 4.065 4.060 0.005 25790 7023 1 18 . 1 1 51 51 GLN C C 51 178.707 178.707 178.544 0.163 25790 7024 1 18 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.535 0.406 25790 7025 1 18 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.078 0.411 25790 7026 1 18 . 1 1 51 51 GLN H H 51 7.830 7.830 8.098 -0.268 25790 7027 1 18 . 1 1 52 52 GLN N N 52 119.210 119.210 120.742 -1.532 25790 7028 1 18 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.033 0.024 25790 7029 1 18 . 1 1 52 52 GLN C C 52 178.738 178.738 178.478 0.260 25790 7030 1 18 . 1 1 52 52 GLN CA C 52 58.749 58.749 59.039 -0.290 25790 7031 1 18 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.534 -0.131 25790 7032 1 18 . 1 1 52 52 GLN H H 52 8.187 8.187 8.213 -0.026 25790 7033 1 18 . 1 1 53 53 LEU N N 53 121.233 121.233 119.280 1.953 25790 7034 1 18 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.839 0.002 25790 7035 1 18 . 1 1 53 53 LEU C C 53 179.191 179.191 178.760 0.431 25790 7036 1 18 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.355 0.390 25790 7037 1 18 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.625 0.241 25790 7038 1 18 . 1 1 53 53 LEU H H 53 8.441 8.441 8.006 0.435 25790 7039 1 18 . 1 1 54 54 TYR N N 54 118.505 118.505 120.018 -1.513 25790 7040 1 18 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.974 0.344 25790 7041 1 18 . 1 1 54 54 TYR C C 54 177.535 177.535 177.380 0.155 25790 7042 1 18 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.508 -1.031 25790 7043 1 18 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.848 -0.062 25790 7044 1 18 . 1 1 54 54 TYR H H 54 7.819 7.819 7.871 -0.052 25790 7045 1 18 . 1 1 55 55 GLN N N 55 117.299 117.299 118.173 -0.874 25790 7046 1 18 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.546 0.353 25790 7047 1 18 . 1 1 55 55 GLN C C 55 179.041 179.041 178.333 0.708 25790 7048 1 18 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.574 0.135 25790 7049 1 18 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.585 -0.370 25790 7050 1 18 . 1 1 55 55 GLN H H 55 7.735 7.735 7.564 0.171 25790 7051 1 18 . 1 1 56 56 VAL N N 56 120.879 120.879 120.641 0.238 25790 7052 1 18 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.631 0.161 25790 7053 1 18 . 1 1 56 56 VAL C C 56 178.262 178.262 178.077 0.185 25790 7054 1 18 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.098 -0.156 25790 7055 1 18 . 1 1 56 56 VAL CB C 56 31.879 31.879 30.705 1.174 25790 7056 1 18 . 1 1 56 56 VAL H H 56 8.014 8.014 7.673 0.341 25790 7057 1 18 . 1 1 57 57 GLN N N 57 120.513 120.513 119.499 1.014 25790 7058 1 18 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.991 0.069 25790 7059 1 18 . 1 1 57 57 GLN C C 57 178.772 178.772 178.882 -0.110 25790 7060 1 18 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.556 -0.940 25790 7061 1 18 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.594 -0.609 25790 7062 1 18 . 1 1 57 57 GLN H H 57 8.103 8.103 8.008 0.095 25790 7063 1 18 . 1 1 58 58 LEU N N 58 121.244 121.244 119.562 1.682 25790 7064 1 18 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.920 0.085 25790 7065 1 18 . 1 1 58 58 LEU C C 58 179.134 179.134 178.604 0.530 25790 7066 1 18 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.368 0.138 25790 7067 1 18 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.330 0.473 25790 7068 1 18 . 1 1 58 58 LEU H H 58 8.176 8.176 7.740 0.436 25790 7069 1 18 . 1 1 59 59 ALA N N 59 121.608 121.608 121.926 -0.318 25790 7070 1 18 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.870 0.295 25790 7071 1 18 . 1 1 59 59 ALA C C 59 180.497 180.497 179.908 0.589 25790 7072 1 18 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.202 -0.620 25790 7073 1 18 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.012 0.042 25790 7074 1 18 . 1 1 59 59 ALA H H 59 7.833 7.833 8.141 -0.308 25790 7075 1 18 . 1 1 60 60 GLN N N 60 118.335 118.335 117.316 1.019 25790 7076 1 18 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.977 0.171 25790 7077 1 18 . 1 1 60 60 GLN C C 60 178.334 178.334 178.827 -0.493 25790 7078 1 18 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.713 -0.736 25790 7079 1 18 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.657 -0.222 25790 7080 1 18 . 1 1 60 60 GLN H H 60 8.081 8.081 8.007 0.074 25790 7081 1 18 . 1 1 61 61 GLN N N 61 120.206 120.206 119.016 1.190 25790 7082 1 18 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.986 0.176 25790 7083 1 18 . 1 1 61 61 GLN C C 61 178.002 178.002 178.488 -0.486 25790 7084 1 18 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.215 -1.310 25790 7085 1 18 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.568 0.011 25790 7086 1 18 . 1 1 61 61 GLN H H 61 8.111 8.111 8.223 -0.112 25790 7087 1 18 . 1 1 62 62 GLN N N 62 118.980 118.980 117.825 1.155 25790 7088 1 18 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.152 -0.023 25790 7089 1 18 . 1 1 62 62 GLN C C 62 177.624 177.624 178.120 -0.496 25790 7090 1 18 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.268 -0.632 25790 7091 1 18 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.129 0.507 25790 7092 1 18 . 1 1 62 62 GLN H H 62 8.203 8.203 8.330 -0.127 25790 7093 1 18 . 1 1 63 63 ALA N N 63 122.712 122.712 123.125 -0.413 25790 7094 1 18 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.080 0.126 25790 7095 1 18 . 1 1 63 63 ALA C C 63 178.922 178.922 178.842 0.080 25790 7096 1 18 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.542 -0.646 25790 7097 1 18 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.073 0.386 25790 7098 1 18 . 1 1 63 63 ALA H H 63 8.004 8.004 7.780 0.224 25790 7099 1 18 . 1 1 64 64 ALA N N 64 120.813 120.813 119.772 1.041 25790 7100 1 18 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.085 0.147 25790 7101 1 18 . 1 1 64 64 ALA C C 64 178.732 178.732 179.228 -0.496 25790 7102 1 18 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.761 -0.245 25790 7103 1 18 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.309 -0.679 25790 7104 1 18 . 1 1 64 64 ALA H H 64 7.837 7.837 7.562 0.275 25790 7105 1 18 . 1 1 65 65 LEU N N 65 119.196 119.196 119.524 -0.328 25790 7106 1 18 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.122 0.135 25790 7107 1 18 . 1 1 65 65 LEU C C 65 178.038 178.038 177.753 0.285 25790 7108 1 18 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.046 -0.224 25790 7109 1 18 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.502 -0.238 25790 7110 1 18 . 1 1 65 65 LEU H H 65 7.765 7.765 7.936 -0.171 25790 7111 1 18 . 1 1 66 66 GLN N N 66 119.365 119.365 114.997 4.368 25790 7112 1 18 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.968 0.307 25790 7113 1 18 . 1 1 66 66 GLN C C 66 176.120 176.120 175.030 1.090 25790 7114 1 18 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.823 -0.756 25790 7115 1 18 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.405 2.727 25790 7116 1 18 . 1 1 66 66 GLN H H 66 7.967 7.967 7.952 0.015 25790 7117 1 18 . 1 1 67 67 LYS N N 67 121.521 121.521 119.279 2.242 25790 7118 1 18 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.530 -0.221 25790 7119 1 18 . 1 1 67 67 LYS C C 67 176.437 176.437 175.843 0.594 25790 7120 1 18 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.557 -0.168 25790 7121 1 18 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.394 -0.353 25790 7122 1 18 . 1 1 67 67 LYS H H 67 8.053 8.053 8.160 -0.107 25790 7123 1 18 . 1 1 68 68 GLN N N 68 121.970 121.970 124.157 -2.187 25790 7124 1 18 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.388 -0.049 25790 7125 1 18 . 1 1 68 68 GLN C C 68 175.120 175.120 175.996 -0.876 25790 7126 1 18 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.051 -0.051 25790 7127 1 18 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.604 1.894 25790 7128 1 18 . 1 1 68 68 GLN H H 68 8.314 8.314 8.713 -0.399 25790 7129 1 19 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.498 -0.051 25790 7130 1 19 . 1 1 2 2 GLN C C 2 176.144 176.144 175.574 0.570 25790 7131 1 19 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.701 0.508 25790 7132 1 19 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.378 0.081 25790 7133 1 19 . 1 1 3 3 GLN N N 3 122.052 122.052 124.494 -2.442 25790 7134 1 19 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.568 -0.245 25790 7135 1 19 . 1 1 3 3 GLN C C 3 176.988 176.988 176.132 0.856 25790 7136 1 19 . 1 1 3 3 GLN CA C 3 57.403 57.403 55.505 1.898 25790 7137 1 19 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.976 0.263 25790 7138 1 19 . 1 1 3 3 GLN H H 3 8.780 8.780 8.739 0.041 25790 7139 1 19 . 1 1 4 4 LYS N N 4 121.855 121.855 121.401 0.454 25790 7140 1 19 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.062 -0.058 25790 7141 1 19 . 1 1 4 4 LYS C C 4 177.638 177.638 178.137 -0.499 25790 7142 1 19 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.660 0.579 25790 7143 1 19 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.618 0.081 25790 7144 1 19 . 1 1 4 4 LYS H H 4 8.528 8.528 8.575 -0.047 25790 7145 1 19 . 1 1 5 5 GLN N N 5 116.397 116.397 117.588 -1.191 25790 7146 1 19 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.965 -0.024 25790 7147 1 19 . 1 1 5 5 GLN C C 5 178.761 178.761 178.543 0.218 25790 7148 1 19 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.804 0.545 25790 7149 1 19 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.427 0.523 25790 7150 1 19 . 1 1 5 5 GLN H H 5 8.223 8.223 8.378 -0.155 25790 7151 1 19 . 1 1 6 6 GLN N N 6 119.262 119.262 119.129 0.133 25790 7152 1 19 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.086 0.042 25790 7153 1 19 . 1 1 6 6 GLN C C 6 179.018 179.018 178.419 0.599 25790 7154 1 19 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.780 0.309 25790 7155 1 19 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.381 0.329 25790 7156 1 19 . 1 1 6 6 GLN H H 6 7.848 7.848 7.875 -0.027 25790 7157 1 19 . 1 1 7 7 ILE N N 7 121.296 121.296 120.352 0.944 25790 7158 1 19 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.732 -0.149 25790 7159 1 19 . 1 1 7 7 ILE C C 7 177.833 177.833 178.099 -0.266 25790 7160 1 19 . 1 1 7 7 ILE CA C 7 65.129 65.129 65.001 0.128 25790 7161 1 19 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.694 0.512 25790 7162 1 19 . 1 1 7 7 ILE H H 7 8.095 8.095 7.311 0.784 25790 7163 1 19 . 1 1 8 8 MET N N 8 117.603 117.603 118.750 -1.147 25790 7164 1 19 . 1 1 8 8 MET HA H 8 3.985 3.985 3.872 0.113 25790 7165 1 19 . 1 1 8 8 MET C C 8 177.355 177.355 178.336 -0.981 25790 7166 1 19 . 1 1 8 8 MET CA C 8 59.932 59.932 59.281 0.651 25790 7167 1 19 . 1 1 8 8 MET CB C 8 32.721 32.721 32.052 0.669 25790 7168 1 19 . 1 1 8 8 MET H H 8 8.672 8.672 7.874 0.798 25790 7169 1 19 . 1 1 9 9 ALA N N 9 118.774 118.774 121.596 -2.822 25790 7170 1 19 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.010 0.036 25790 7171 1 19 . 1 1 9 9 ALA C C 9 180.546 180.546 179.207 1.339 25790 7172 1 19 . 1 1 9 9 ALA CA C 9 55.385 55.385 54.972 0.413 25790 7173 1 19 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.912 -0.014 25790 7174 1 19 . 1 1 9 9 ALA H H 9 7.795 7.795 8.142 -0.347 25790 7175 1 19 . 1 1 10 10 ALA N N 10 120.854 120.854 121.447 -0.593 25790 7176 1 19 . 1 1 10 10 ALA HA H 10 4.205 4.205 3.966 0.239 25790 7177 1 19 . 1 1 10 10 ALA C C 10 181.200 181.200 179.566 1.634 25790 7178 1 19 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.855 0.157 25790 7179 1 19 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.526 0.734 25790 7180 1 19 . 1 1 10 10 ALA H H 10 7.438 7.438 7.708 -0.270 25790 7181 1 19 . 1 1 11 11 LEU N N 11 120.775 120.775 118.313 2.462 25790 7182 1 19 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.777 -0.029 25790 7183 1 19 . 1 1 11 11 LEU C C 11 179.041 179.041 178.835 0.206 25790 7184 1 19 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.507 0.839 25790 7185 1 19 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.334 -1.357 25790 7186 1 19 . 1 1 11 11 LEU H H 11 8.757 8.757 7.968 0.789 25790 7187 1 19 . 1 1 12 12 ASN N N 12 116.313 116.313 118.226 -1.913 25790 7188 1 19 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.584 -0.020 25790 7189 1 19 . 1 1 12 12 ASN C C 12 178.900 178.900 177.803 1.097 25790 7190 1 19 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.483 -2.418 25790 7191 1 19 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.309 -1.316 25790 7192 1 19 . 1 1 12 12 ASN H H 12 8.850 8.850 8.142 0.708 25790 7193 1 19 . 1 1 13 13 SER N N 13 114.747 114.747 114.404 0.343 25790 7194 1 19 . 1 1 13 13 SER HA H 13 4.370 4.370 4.193 0.177 25790 7195 1 19 . 1 1 13 13 SER C C 13 176.515 176.515 175.853 0.662 25790 7196 1 19 . 1 1 13 13 SER CA C 13 61.141 61.141 61.300 -0.159 25790 7197 1 19 . 1 1 13 13 SER CB C 13 63.044 63.044 63.088 -0.044 25790 7198 1 19 . 1 1 13 13 SER H H 13 7.672 7.672 7.613 0.059 25790 7199 1 19 . 1 1 14 14 GLN N N 14 119.954 119.954 117.702 2.252 25790 7200 1 19 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.247 -0.029 25790 7201 1 19 . 1 1 14 14 GLN C C 14 178.208 178.208 177.897 0.311 25790 7202 1 19 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.706 0.043 25790 7203 1 19 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.164 -0.464 25790 7204 1 19 . 1 1 14 14 GLN H H 14 7.573 7.573 7.439 0.134 25790 7205 1 19 . 1 1 15 15 THR N N 15 107.493 107.493 109.957 -2.464 25790 7206 1 19 . 1 1 15 15 THR HA H 15 3.899 3.899 4.132 -0.233 25790 7207 1 19 . 1 1 15 15 THR C C 15 174.683 174.683 175.041 -0.358 25790 7208 1 19 . 1 1 15 15 THR CA C 15 61.551 61.551 61.896 -0.345 25790 7209 1 19 . 1 1 15 15 THR CB C 15 69.226 69.226 68.376 0.850 25790 7210 1 19 . 1 1 15 15 THR H H 15 7.741 7.741 7.875 -0.134 25790 7211 1 19 . 1 1 16 16 ALA N N 16 124.034 124.034 126.006 -1.972 25790 7212 1 19 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.948 0.187 25790 7213 1 19 . 1 1 16 16 ALA C C 16 179.899 179.899 179.115 0.784 25790 7214 1 19 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.516 0.691 25790 7215 1 19 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.013 0.711 25790 7216 1 19 . 1 1 16 16 ALA H H 16 6.873 6.873 7.494 -0.621 25790 7217 1 19 . 1 1 17 17 VAL N N 17 117.150 117.150 118.548 -1.398 25790 7218 1 19 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.829 -0.115 25790 7219 1 19 . 1 1 17 17 VAL C C 17 178.537 178.537 177.128 1.409 25790 7220 1 19 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.518 1.990 25790 7221 1 19 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.721 -0.028 25790 7222 1 19 . 1 1 17 17 VAL H H 17 8.162 8.162 8.076 0.086 25790 7223 1 19 . 1 1 18 18 GLN N N 18 119.489 119.489 120.494 -1.005 25790 7224 1 19 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.078 -0.021 25790 7225 1 19 . 1 1 18 18 GLN C C 18 180.429 180.429 178.571 1.858 25790 7226 1 19 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.276 0.423 25790 7227 1 19 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.542 0.644 25790 7228 1 19 . 1 1 18 18 GLN H H 18 8.451 8.451 8.093 0.358 25790 7229 1 19 . 1 1 19 19 PHE N N 19 117.940 117.940 117.612 0.328 25790 7230 1 19 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.511 0.319 25790 7231 1 19 . 1 1 19 19 PHE C C 19 177.858 177.858 177.956 -0.098 25790 7232 1 19 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.819 -0.790 25790 7233 1 19 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.326 -2.421 25790 7234 1 19 . 1 1 19 19 PHE H H 19 8.924 8.924 8.696 0.228 25790 7235 1 19 . 1 1 20 20 GLN N N 20 120.297 120.297 121.026 -0.729 25790 7236 1 19 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.967 0.139 25790 7237 1 19 . 1 1 20 20 GLN C C 20 178.986 178.986 178.132 0.854 25790 7238 1 19 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.948 -0.385 25790 7239 1 19 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.441 -0.546 25790 7240 1 19 . 1 1 20 20 GLN H H 20 8.264 8.264 7.889 0.375 25790 7241 1 19 . 1 1 21 21 GLN N N 21 118.595 118.595 118.431 0.164 25790 7242 1 19 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.040 0.042 25790 7243 1 19 . 1 1 21 21 GLN C C 21 178.806 178.806 178.579 0.227 25790 7244 1 19 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.795 0.375 25790 7245 1 19 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.685 -0.489 25790 7246 1 19 . 1 1 21 21 GLN H H 21 8.527 8.527 7.826 0.701 25790 7247 1 19 . 1 1 22 22 TYR N N 22 119.594 119.594 121.011 -1.417 25790 7248 1 19 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.125 0.122 25790 7249 1 19 . 1 1 22 22 TYR C C 22 177.789 177.789 177.053 0.736 25790 7250 1 19 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.938 0.774 25790 7251 1 19 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.453 0.271 25790 7252 1 19 . 1 1 22 22 TYR H H 22 7.843 7.843 7.562 0.281 25790 7253 1 19 . 1 1 23 23 ALA N N 23 120.663 120.663 120.892 -0.229 25790 7254 1 19 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.911 -0.054 25790 7255 1 19 . 1 1 23 23 ALA C C 23 179.319 179.319 178.765 0.554 25790 7256 1 19 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.895 0.694 25790 7257 1 19 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.381 0.101 25790 7258 1 19 . 1 1 23 23 ALA H H 23 8.612 8.612 8.605 0.007 25790 7259 1 19 . 1 1 24 24 ALA N N 24 119.002 119.002 119.330 -0.328 25790 7260 1 19 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.152 -0.214 25790 7261 1 19 . 1 1 24 24 ALA C C 24 178.987 178.987 178.762 0.225 25790 7262 1 19 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.124 0.193 25790 7263 1 19 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.498 -0.608 25790 7264 1 19 . 1 1 24 24 ALA H H 24 8.168 8.168 8.152 0.016 25790 7265 1 19 . 1 1 25 25 GLN N N 25 115.599 115.599 116.112 -0.513 25790 7266 1 19 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.067 -0.063 25790 7267 1 19 . 1 1 25 25 GLN C C 25 177.818 177.818 177.197 0.621 25790 7268 1 19 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.734 -0.280 25790 7269 1 19 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.658 -0.203 25790 7270 1 19 . 1 1 25 25 GLN H H 25 7.300 7.300 7.529 -0.229 25790 7271 1 19 . 1 1 26 26 GLN N N 26 116.989 116.989 116.658 0.331 25790 7272 1 19 . 1 1 26 26 GLN HA H 26 3.704 3.704 4.082 -0.378 25790 7273 1 19 . 1 1 26 26 GLN C C 26 175.979 175.979 176.237 -0.258 25790 7274 1 19 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.608 0.180 25790 7275 1 19 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.665 -1.585 25790 7276 1 19 . 1 1 26 26 GLN H H 26 7.401 7.401 7.375 0.026 25790 7277 1 19 . 1 1 27 27 TYR N N 27 114.712 114.712 118.614 -3.902 25790 7278 1 19 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.999 0.079 25790 7279 1 19 . 1 1 27 27 TYR C C 27 172.931 172.931 173.706 -0.775 25790 7280 1 19 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.351 0.816 25790 7281 1 19 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.040 1.620 25790 7282 1 19 . 1 1 27 27 TYR H H 27 7.675 7.675 8.374 -0.699 25790 7283 1 19 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.320 0.042 25790 7284 1 19 . 1 1 28 28 PRO C C 28 179.333 179.333 177.925 1.408 25790 7285 1 19 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.055 0.339 25790 7286 1 19 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.462 -1.208 25790 7287 1 19 . 1 1 29 29 GLY N N 29 110.091 110.091 112.843 -2.752 25790 7288 1 19 . 1 1 29 29 GLY C C 29 173.218 173.218 174.580 -1.362 25790 7289 1 19 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.315 0.597 25790 7290 1 19 . 1 1 29 29 GLY H H 29 8.826 8.826 8.715 0.111 25790 7291 1 19 . 1 1 30 30 ASN N N 30 118.603 118.603 121.992 -3.389 25790 7292 1 19 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.951 0.048 25790 7293 1 19 . 1 1 30 30 ASN C C 30 173.977 173.977 174.632 -0.655 25790 7294 1 19 . 1 1 30 30 ASN CA C 30 51.185 51.185 52.124 -0.939 25790 7295 1 19 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.035 0.391 25790 7296 1 19 . 1 1 30 30 ASN H H 30 7.293 7.293 7.791 -0.498 25790 7297 1 19 . 1 1 31 31 TYR N N 31 125.240 125.240 125.943 -0.703 25790 7298 1 19 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.096 -0.198 25790 7299 1 19 . 1 1 31 31 TYR C C 31 177.343 177.343 176.472 0.871 25790 7300 1 19 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.460 -0.649 25790 7301 1 19 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.814 -0.457 25790 7302 1 19 . 1 1 31 31 TYR H H 31 8.509 8.509 7.985 0.524 25790 7303 1 19 . 1 1 32 32 GLU N N 32 118.993 118.993 116.502 2.491 25790 7304 1 19 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.621 0.279 25790 7305 1 19 . 1 1 32 32 GLU C C 32 179.549 179.549 178.506 1.043 25790 7306 1 19 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.400 0.712 25790 7307 1 19 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.001 1.167 25790 7308 1 19 . 1 1 32 32 GLU H H 32 8.714 8.714 8.716 -0.002 25790 7309 1 19 . 1 1 33 33 GLN N N 33 117.037 117.037 118.663 -1.626 25790 7310 1 19 . 1 1 33 33 GLN HA H 33 3.733 3.733 4.016 -0.283 25790 7311 1 19 . 1 1 33 33 GLN C C 33 179.119 179.119 178.771 0.348 25790 7312 1 19 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.410 -0.708 25790 7313 1 19 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.572 0.054 25790 7314 1 19 . 1 1 33 33 GLN H H 33 7.536 7.536 8.308 -0.772 25790 7315 1 19 . 1 1 34 34 GLN N N 34 117.723 117.723 119.671 -1.948 25790 7316 1 19 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.129 -0.318 25790 7317 1 19 . 1 1 34 34 GLN C C 34 177.634 177.634 178.654 -1.020 25790 7318 1 19 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.621 0.544 25790 7319 1 19 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.468 -0.967 25790 7320 1 19 . 1 1 34 34 GLN H H 34 7.968 7.968 8.563 -0.595 25790 7321 1 19 . 1 1 35 35 GLN N N 35 115.293 115.293 118.666 -3.373 25790 7322 1 19 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.089 -0.298 25790 7323 1 19 . 1 1 35 35 GLN C C 35 178.757 178.757 178.621 0.136 25790 7324 1 19 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.233 0.377 25790 7325 1 19 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.259 -0.054 25790 7326 1 19 . 1 1 35 35 GLN H H 35 7.870 7.870 7.581 0.289 25790 7327 1 19 . 1 1 36 36 ILE N N 36 120.769 120.769 121.134 -0.365 25790 7328 1 19 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.680 -0.116 25790 7329 1 19 . 1 1 36 36 ILE C C 36 178.273 178.273 178.217 0.056 25790 7330 1 19 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.269 -0.033 25790 7331 1 19 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.749 0.624 25790 7332 1 19 . 1 1 36 36 ILE H H 36 7.503 7.503 7.924 -0.421 25790 7333 1 19 . 1 1 37 37 LEU N N 37 121.056 121.056 122.257 -1.201 25790 7334 1 19 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.212 0.097 25790 7335 1 19 . 1 1 37 37 LEU C C 37 178.348 178.348 178.679 -0.331 25790 7336 1 19 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.846 -0.112 25790 7337 1 19 . 1 1 37 37 LEU CB C 37 41.516 41.516 42.065 -0.549 25790 7338 1 19 . 1 1 37 37 LEU H H 37 7.678 7.678 8.354 -0.676 25790 7339 1 19 . 1 1 38 38 ILE N N 38 119.334 119.334 119.630 -0.296 25790 7340 1 19 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.591 -0.250 25790 7341 1 19 . 1 1 38 38 ILE C C 38 177.371 177.371 177.879 -0.508 25790 7342 1 19 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.702 1.383 25790 7343 1 19 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.537 0.812 25790 7344 1 19 . 1 1 38 38 ILE H H 38 8.702 8.702 8.236 0.466 25790 7345 1 19 . 1 1 39 39 ARG N N 39 117.798 117.798 120.006 -2.208 25790 7346 1 19 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.889 0.326 25790 7347 1 19 . 1 1 39 39 ARG C C 39 179.555 179.555 178.539 1.016 25790 7348 1 19 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.742 -0.283 25790 7349 1 19 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.727 0.025 25790 7350 1 19 . 1 1 39 39 ARG H H 39 7.739 7.739 8.356 -0.617 25790 7351 1 19 . 1 1 40 40 GLN N N 40 119.432 119.432 119.130 0.302 25790 7352 1 19 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.122 0.015 25790 7353 1 19 . 1 1 40 40 GLN C C 40 179.522 179.522 178.510 1.012 25790 7354 1 19 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.983 0.277 25790 7355 1 19 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.602 -0.245 25790 7356 1 19 . 1 1 40 40 GLN H H 40 7.811 7.811 7.642 0.169 25790 7357 1 19 . 1 1 41 41 LEU N N 41 121.592 121.592 120.229 1.363 25790 7358 1 19 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.829 -0.142 25790 7359 1 19 . 1 1 41 41 LEU C C 41 178.974 178.974 179.528 -0.554 25790 7360 1 19 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.746 0.217 25790 7361 1 19 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.347 -1.495 25790 7362 1 19 . 1 1 41 41 LEU H H 41 8.648 8.648 8.474 0.174 25790 7363 1 19 . 1 1 42 42 GLN N N 42 119.054 119.054 118.457 0.597 25790 7364 1 19 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.404 0.140 25790 7365 1 19 . 1 1 42 42 GLN C C 42 180.176 180.176 178.832 1.344 25790 7366 1 19 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.225 0.009 25790 7367 1 19 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.858 -0.938 25790 7368 1 19 . 1 1 42 42 GLN H H 42 8.641 8.641 8.825 -0.184 25790 7369 1 19 . 1 1 43 43 GLU N N 43 121.517 121.517 121.339 0.178 25790 7370 1 19 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.015 0.221 25790 7371 1 19 . 1 1 43 43 GLU C C 43 179.721 179.721 178.631 1.090 25790 7372 1 19 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.665 0.002 25790 7373 1 19 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.482 -0.224 25790 7374 1 19 . 1 1 43 43 GLU H H 43 8.111 8.111 8.055 0.056 25790 7375 1 19 . 1 1 44 44 GLN N N 44 119.240 119.240 118.800 0.440 25790 7376 1 19 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.051 0.065 25790 7377 1 19 . 1 1 44 44 GLN C C 44 179.012 179.012 178.172 0.840 25790 7378 1 19 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.012 0.137 25790 7379 1 19 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.784 0.070 25790 7380 1 19 . 1 1 44 44 GLN H H 44 8.372 8.372 8.365 0.007 25790 7381 1 19 . 1 1 45 45 HIS N N 45 121.705 121.705 119.793 1.912 25790 7382 1 19 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.296 -0.016 25790 7383 1 19 . 1 1 45 45 HIS C C 45 176.395 176.395 177.373 -0.978 25790 7384 1 19 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.208 1.151 25790 7385 1 19 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.580 1.745 25790 7386 1 19 . 1 1 45 45 HIS H H 45 9.472 9.472 8.443 1.029 25790 7387 1 19 . 1 1 46 46 TYR N N 46 119.039 119.039 121.000 -1.961 25790 7388 1 19 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.040 -0.191 25790 7389 1 19 . 1 1 46 46 TYR C C 46 176.664 176.664 177.911 -1.247 25790 7390 1 19 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.585 0.666 25790 7391 1 19 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.316 -0.644 25790 7392 1 19 . 1 1 46 46 TYR H H 46 8.253 8.253 8.649 -0.396 25790 7393 1 19 . 1 1 47 47 GLN N N 47 116.407 116.407 118.458 -2.051 25790 7394 1 19 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.948 -0.164 25790 7395 1 19 . 1 1 47 47 GLN C C 47 179.048 179.048 178.435 0.613 25790 7396 1 19 . 1 1 47 47 GLN CA C 47 58.949 58.949 58.991 -0.042 25790 7397 1 19 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.032 0.149 25790 7398 1 19 . 1 1 47 47 GLN H H 47 7.814 7.814 7.829 -0.015 25790 7399 1 19 . 1 1 48 48 GLN N N 48 119.803 119.803 120.210 -0.407 25790 7400 1 19 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.320 -0.343 25790 7401 1 19 . 1 1 48 48 GLN C C 48 177.741 177.741 178.452 -0.711 25790 7402 1 19 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.726 -0.412 25790 7403 1 19 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.562 -0.234 25790 7404 1 19 . 1 1 48 48 GLN H H 48 8.645 8.645 7.656 0.989 25790 7405 1 19 . 1 1 49 49 TYR N N 49 121.342 121.342 121.300 0.042 25790 7406 1 19 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.123 -0.483 25790 7407 1 19 . 1 1 49 49 TYR C C 49 176.021 176.021 177.623 -1.602 25790 7408 1 19 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.617 0.492 25790 7409 1 19 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.000 0.907 25790 7410 1 19 . 1 1 49 49 TYR H H 49 9.105 9.105 8.482 0.623 25790 7411 1 19 . 1 1 50 50 MET N N 50 115.522 115.522 118.698 -3.176 25790 7412 1 19 . 1 1 50 50 MET HA H 50 4.040 4.040 3.811 0.229 25790 7413 1 19 . 1 1 50 50 MET C C 50 179.841 179.841 177.901 1.940 25790 7414 1 19 . 1 1 50 50 MET CA C 50 56.623 56.623 58.606 -1.983 25790 7415 1 19 . 1 1 50 50 MET CB C 50 30.099 30.099 32.132 -2.033 25790 7416 1 19 . 1 1 50 50 MET H H 50 8.060 8.060 8.194 -0.134 25790 7417 1 19 . 1 1 51 51 GLN N N 51 118.942 118.942 117.894 1.048 25790 7418 1 19 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.915 0.150 25790 7419 1 19 . 1 1 51 51 GLN C C 51 178.707 178.707 178.403 0.304 25790 7420 1 19 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.046 -0.105 25790 7421 1 19 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.491 -0.002 25790 7422 1 19 . 1 1 51 51 GLN H H 51 7.830 7.830 7.771 0.059 25790 7423 1 19 . 1 1 52 52 GLN N N 52 119.210 119.210 120.508 -1.298 25790 7424 1 19 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.013 0.044 25790 7425 1 19 . 1 1 52 52 GLN C C 52 178.738 178.738 178.403 0.335 25790 7426 1 19 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.943 -0.194 25790 7427 1 19 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.579 -0.176 25790 7428 1 19 . 1 1 52 52 GLN H H 52 8.187 8.187 8.015 0.172 25790 7429 1 19 . 1 1 53 53 LEU N N 53 121.233 121.233 119.426 1.807 25790 7430 1 19 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.810 0.031 25790 7431 1 19 . 1 1 53 53 LEU C C 53 179.191 179.191 178.776 0.415 25790 7432 1 19 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.460 0.285 25790 7433 1 19 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.567 0.299 25790 7434 1 19 . 1 1 53 53 LEU H H 53 8.441 8.441 8.129 0.312 25790 7435 1 19 . 1 1 54 54 TYR N N 54 118.505 118.505 119.810 -1.305 25790 7436 1 19 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.017 0.301 25790 7437 1 19 . 1 1 54 54 TYR C C 54 177.535 177.535 177.043 0.492 25790 7438 1 19 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.143 -1.666 25790 7439 1 19 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.010 -0.224 25790 7440 1 19 . 1 1 54 54 TYR H H 54 7.819 7.819 7.771 0.048 25790 7441 1 19 . 1 1 55 55 GLN N N 55 117.299 117.299 118.226 -0.927 25790 7442 1 19 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.632 0.267 25790 7443 1 19 . 1 1 55 55 GLN C C 55 179.041 179.041 178.240 0.801 25790 7444 1 19 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.634 0.075 25790 7445 1 19 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.424 -0.209 25790 7446 1 19 . 1 1 55 55 GLN H H 55 7.735 7.735 7.547 0.188 25790 7447 1 19 . 1 1 56 56 VAL N N 56 120.879 120.879 120.623 0.256 25790 7448 1 19 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.631 0.161 25790 7449 1 19 . 1 1 56 56 VAL C C 56 178.262 178.262 178.029 0.233 25790 7450 1 19 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.150 -0.208 25790 7451 1 19 . 1 1 56 56 VAL CB C 56 31.879 31.879 30.829 1.050 25790 7452 1 19 . 1 1 56 56 VAL H H 56 8.014 8.014 8.045 -0.031 25790 7453 1 19 . 1 1 57 57 GLN N N 57 120.513 120.513 119.153 1.360 25790 7454 1 19 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.023 0.037 25790 7455 1 19 . 1 1 57 57 GLN C C 57 178.772 178.772 178.862 -0.090 25790 7456 1 19 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.229 -0.613 25790 7457 1 19 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.867 -0.882 25790 7458 1 19 . 1 1 57 57 GLN H H 57 8.103 8.103 7.991 0.112 25790 7459 1 19 . 1 1 58 58 LEU N N 58 121.244 121.244 117.226 4.018 25790 7460 1 19 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.066 -0.061 25790 7461 1 19 . 1 1 58 58 LEU C C 58 179.134 179.134 178.187 0.947 25790 7462 1 19 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.898 -0.392 25790 7463 1 19 . 1 1 58 58 LEU CB C 58 41.803 41.803 40.782 1.021 25790 7464 1 19 . 1 1 58 58 LEU H H 58 8.176 8.176 7.875 0.301 25790 7465 1 19 . 1 1 59 59 ALA N N 59 121.608 121.608 122.508 -0.900 25790 7466 1 19 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.867 0.298 25790 7467 1 19 . 1 1 59 59 ALA C C 59 180.497 180.497 179.814 0.683 25790 7468 1 19 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.124 -0.542 25790 7469 1 19 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.972 0.081 25790 7470 1 19 . 1 1 59 59 ALA H H 59 7.833 7.833 7.891 -0.058 25790 7471 1 19 . 1 1 60 60 GLN N N 60 118.335 118.335 117.261 1.074 25790 7472 1 19 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.958 0.190 25790 7473 1 19 . 1 1 60 60 GLN C C 60 178.334 178.334 178.883 -0.549 25790 7474 1 19 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.702 -0.725 25790 7475 1 19 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.582 -0.147 25790 7476 1 19 . 1 1 60 60 GLN H H 60 8.081 8.081 7.709 0.372 25790 7477 1 19 . 1 1 61 61 GLN N N 61 120.206 120.206 118.756 1.450 25790 7478 1 19 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.009 0.153 25790 7479 1 19 . 1 1 61 61 GLN C C 61 178.002 178.002 178.504 -0.502 25790 7480 1 19 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.618 -0.713 25790 7481 1 19 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.260 0.319 25790 7482 1 19 . 1 1 61 61 GLN H H 61 8.111 8.111 7.720 0.391 25790 7483 1 19 . 1 1 62 62 GLN N N 62 118.980 118.980 118.462 0.518 25790 7484 1 19 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.088 0.041 25790 7485 1 19 . 1 1 62 62 GLN C C 62 177.624 177.624 178.162 -0.538 25790 7486 1 19 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.403 -0.767 25790 7487 1 19 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.055 0.581 25790 7488 1 19 . 1 1 62 62 GLN H H 62 8.203 8.203 8.310 -0.107 25790 7489 1 19 . 1 1 63 63 ALA N N 63 122.712 122.712 122.618 0.094 25790 7490 1 19 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.101 0.105 25790 7491 1 19 . 1 1 63 63 ALA C C 63 178.922 178.922 178.505 0.417 25790 7492 1 19 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.538 -0.642 25790 7493 1 19 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.076 0.383 25790 7494 1 19 . 1 1 63 63 ALA H H 63 8.004 8.004 7.977 0.027 25790 7495 1 19 . 1 1 64 64 ALA N N 64 120.813 120.813 120.471 0.342 25790 7496 1 19 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.207 0.025 25790 7497 1 19 . 1 1 64 64 ALA C C 64 178.732 178.732 178.881 -0.149 25790 7498 1 19 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.633 -0.117 25790 7499 1 19 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.390 -0.760 25790 7500 1 19 . 1 1 64 64 ALA H H 64 7.837 7.837 7.566 0.271 25790 7501 1 19 . 1 1 65 65 LEU N N 65 119.196 119.196 119.050 0.146 25790 7502 1 19 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.125 0.132 25790 7503 1 19 . 1 1 65 65 LEU C C 65 178.038 178.038 177.758 0.280 25790 7504 1 19 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.239 -0.417 25790 7505 1 19 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.553 -0.289 25790 7506 1 19 . 1 1 65 65 LEU H H 65 7.765 7.765 7.938 -0.173 25790 7507 1 19 . 1 1 66 66 GLN N N 66 119.365 119.365 114.692 4.673 25790 7508 1 19 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.920 0.355 25790 7509 1 19 . 1 1 66 66 GLN C C 66 176.120 176.120 175.330 0.790 25790 7510 1 19 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.102 -1.035 25790 7511 1 19 . 1 1 66 66 GLN CB C 66 29.132 29.132 25.778 3.354 25790 7512 1 19 . 1 1 66 66 GLN H H 66 7.967 7.967 8.166 -0.199 25790 7513 1 19 . 1 1 67 67 LYS N N 67 121.521 121.521 118.103 3.418 25790 7514 1 19 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.392 -0.083 25790 7515 1 19 . 1 1 67 67 LYS C C 67 176.437 176.437 175.496 0.941 25790 7516 1 19 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.208 0.181 25790 7517 1 19 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.001 0.040 25790 7518 1 19 . 1 1 67 67 LYS H H 67 8.053 8.053 8.242 -0.189 25790 7519 1 19 . 1 1 68 68 GLN N N 68 121.970 121.970 118.920 3.050 25790 7520 1 19 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.508 -0.169 25790 7521 1 19 . 1 1 68 68 GLN C C 68 175.120 175.120 174.805 0.315 25790 7522 1 19 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.842 0.158 25790 7523 1 19 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.852 1.646 25790 7524 1 19 . 1 1 68 68 GLN H H 68 8.314 8.314 8.338 -0.024 25790 7525 1 20 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.316 0.131 25790 7526 1 20 . 1 1 2 2 GLN C C 2 176.144 176.144 175.844 0.300 25790 7527 1 20 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.620 -0.411 25790 7528 1 20 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.364 0.095 25790 7529 1 20 . 1 1 3 3 GLN N N 3 122.052 122.052 119.674 2.378 25790 7530 1 20 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.517 -0.194 25790 7531 1 20 . 1 1 3 3 GLN C C 3 176.988 176.988 175.521 1.467 25790 7532 1 20 . 1 1 3 3 GLN CA C 3 57.403 57.403 54.583 2.821 25790 7533 1 20 . 1 1 3 3 GLN CB C 3 29.239 29.239 29.415 -0.176 25790 7534 1 20 . 1 1 3 3 GLN H H 3 8.780 8.780 8.173 0.607 25790 7535 1 20 . 1 1 4 4 LYS N N 4 121.855 121.855 125.514 -3.659 25790 7536 1 20 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.072 -0.068 25790 7537 1 20 . 1 1 4 4 LYS C C 4 177.638 177.638 177.925 -0.287 25790 7538 1 20 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.186 1.053 25790 7539 1 20 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.257 0.442 25790 7540 1 20 . 1 1 4 4 LYS H H 4 8.528 8.528 8.934 -0.406 25790 7541 1 20 . 1 1 5 5 GLN N N 5 116.397 116.397 118.038 -1.641 25790 7542 1 20 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.023 -0.082 25790 7543 1 20 . 1 1 5 5 GLN C C 5 178.761 178.761 178.538 0.223 25790 7544 1 20 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.657 0.692 25790 7545 1 20 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.217 -0.267 25790 7546 1 20 . 1 1 5 5 GLN H H 5 8.223 8.223 8.592 -0.369 25790 7547 1 20 . 1 1 6 6 GLN N N 6 119.262 119.262 118.319 0.943 25790 7548 1 20 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.087 0.041 25790 7549 1 20 . 1 1 6 6 GLN C C 6 179.018 179.018 178.082 0.936 25790 7550 1 20 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.954 0.135 25790 7551 1 20 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.062 0.648 25790 7552 1 20 . 1 1 6 6 GLN H H 6 7.848 7.848 7.694 0.154 25790 7553 1 20 . 1 1 7 7 ILE N N 7 121.296 121.296 120.037 1.259 25790 7554 1 20 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.887 -0.304 25790 7555 1 20 . 1 1 7 7 ILE C C 7 177.833 177.833 178.085 -0.252 25790 7556 1 20 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.476 0.653 25790 7557 1 20 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.926 0.280 25790 7558 1 20 . 1 1 7 7 ILE H H 7 8.095 8.095 7.750 0.345 25790 7559 1 20 . 1 1 8 8 MET N N 8 117.603 117.603 118.844 -1.241 25790 7560 1 20 . 1 1 8 8 MET HA H 8 3.985 3.985 4.094 -0.109 25790 7561 1 20 . 1 1 8 8 MET C C 8 177.355 177.355 178.278 -0.923 25790 7562 1 20 . 1 1 8 8 MET CA C 8 59.932 59.932 59.405 0.527 25790 7563 1 20 . 1 1 8 8 MET CB C 8 32.721 32.721 32.217 0.504 25790 7564 1 20 . 1 1 8 8 MET H H 8 8.672 8.672 7.791 0.881 25790 7565 1 20 . 1 1 9 9 ALA N N 9 118.774 118.774 121.187 -2.413 25790 7566 1 20 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.952 0.094 25790 7567 1 20 . 1 1 9 9 ALA C C 9 180.546 180.546 179.285 1.261 25790 7568 1 20 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.126 0.259 25790 7569 1 20 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.882 0.016 25790 7570 1 20 . 1 1 9 9 ALA H H 9 7.795 7.795 8.265 -0.470 25790 7571 1 20 . 1 1 10 10 ALA N N 10 120.854 120.854 121.305 -0.451 25790 7572 1 20 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.020 0.185 25790 7573 1 20 . 1 1 10 10 ALA C C 10 181.200 181.200 179.460 1.740 25790 7574 1 20 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.673 0.339 25790 7575 1 20 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.461 0.800 25790 7576 1 20 . 1 1 10 10 ALA H H 10 7.438 7.438 7.451 -0.013 25790 7577 1 20 . 1 1 11 11 LEU N N 11 120.775 120.775 117.892 2.883 25790 7578 1 20 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.808 -0.061 25790 7579 1 20 . 1 1 11 11 LEU C C 11 179.041 179.041 179.437 -0.396 25790 7580 1 20 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.618 0.728 25790 7581 1 20 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.452 -1.475 25790 7582 1 20 . 1 1 11 11 LEU H H 11 8.757 8.757 7.721 1.036 25790 7583 1 20 . 1 1 12 12 ASN N N 12 116.313 116.313 118.442 -2.129 25790 7584 1 20 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.474 0.090 25790 7585 1 20 . 1 1 12 12 ASN C C 12 178.900 178.900 177.470 1.430 25790 7586 1 20 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.596 -1.531 25790 7587 1 20 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.912 -0.919 25790 7588 1 20 . 1 1 12 12 ASN H H 12 8.850 8.850 8.413 0.437 25790 7589 1 20 . 1 1 13 13 SER N N 13 114.747 114.747 116.172 -1.425 25790 7590 1 20 . 1 1 13 13 SER HA H 13 4.370 4.370 4.171 0.199 25790 7591 1 20 . 1 1 13 13 SER C C 13 176.515 176.515 176.908 -0.393 25790 7592 1 20 . 1 1 13 13 SER CA C 13 61.141 61.141 61.229 -0.088 25790 7593 1 20 . 1 1 13 13 SER CB C 13 63.044 63.044 63.084 -0.040 25790 7594 1 20 . 1 1 13 13 SER H H 13 7.672 7.672 7.556 0.116 25790 7595 1 20 . 1 1 14 14 GLN N N 14 119.954 119.954 119.935 0.019 25790 7596 1 20 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.136 0.082 25790 7597 1 20 . 1 1 14 14 GLN C C 14 178.208 178.208 177.759 0.449 25790 7598 1 20 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.937 -0.188 25790 7599 1 20 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.769 -0.069 25790 7600 1 20 . 1 1 14 14 GLN H H 14 7.573 7.573 7.508 0.065 25790 7601 1 20 . 1 1 15 15 THR N N 15 107.493 107.493 108.624 -1.131 25790 7602 1 20 . 1 1 15 15 THR HA H 15 3.899 3.899 4.009 -0.110 25790 7603 1 20 . 1 1 15 15 THR C C 15 174.683 174.683 174.508 0.175 25790 7604 1 20 . 1 1 15 15 THR CA C 15 61.551 61.551 61.666 -0.115 25790 7605 1 20 . 1 1 15 15 THR CB C 15 69.226 69.226 68.185 1.041 25790 7606 1 20 . 1 1 15 15 THR H H 15 7.741 7.741 7.902 -0.161 25790 7607 1 20 . 1 1 16 16 ALA N N 16 124.034 124.034 125.981 -1.947 25790 7608 1 20 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.958 0.177 25790 7609 1 20 . 1 1 16 16 ALA C C 16 179.899 179.899 178.974 0.925 25790 7610 1 20 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.529 0.678 25790 7611 1 20 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.950 0.774 25790 7612 1 20 . 1 1 16 16 ALA H H 16 6.873 6.873 7.036 -0.163 25790 7613 1 20 . 1 1 17 17 VAL N N 17 117.150 117.150 118.664 -1.514 25790 7614 1 20 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.998 -0.284 25790 7615 1 20 . 1 1 17 17 VAL C C 17 178.537 178.537 177.491 1.046 25790 7616 1 20 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.676 1.832 25790 7617 1 20 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.067 0.626 25790 7618 1 20 . 1 1 17 17 VAL H H 17 8.162 8.162 8.289 -0.127 25790 7619 1 20 . 1 1 18 18 GLN N N 18 119.489 119.489 120.278 -0.789 25790 7620 1 20 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.073 -0.016 25790 7621 1 20 . 1 1 18 18 GLN C C 18 180.429 180.429 178.826 1.603 25790 7622 1 20 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.250 0.449 25790 7623 1 20 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.510 0.676 25790 7624 1 20 . 1 1 18 18 GLN H H 18 8.451 8.451 8.254 0.197 25790 7625 1 20 . 1 1 19 19 PHE N N 19 117.940 117.940 117.222 0.718 25790 7626 1 20 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.623 0.207 25790 7627 1 20 . 1 1 19 19 PHE C C 19 177.858 177.858 177.803 0.055 25790 7628 1 20 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.171 -0.142 25790 7629 1 20 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.488 -2.583 25790 7630 1 20 . 1 1 19 19 PHE H H 19 8.924 8.924 8.436 0.488 25790 7631 1 20 . 1 1 20 20 GLN N N 20 120.297 120.297 121.317 -1.020 25790 7632 1 20 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.940 0.166 25790 7633 1 20 . 1 1 20 20 GLN C C 20 178.986 178.986 178.122 0.864 25790 7634 1 20 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.773 -0.210 25790 7635 1 20 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.557 -0.662 25790 7636 1 20 . 1 1 20 20 GLN H H 20 8.264 8.264 7.952 0.312 25790 7637 1 20 . 1 1 21 21 GLN N N 21 118.595 118.595 117.798 0.797 25790 7638 1 20 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.067 0.015 25790 7639 1 20 . 1 1 21 21 GLN C C 21 178.806 178.806 178.483 0.323 25790 7640 1 20 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.797 0.373 25790 7641 1 20 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.255 -0.059 25790 7642 1 20 . 1 1 21 21 GLN H H 21 8.527 8.527 7.951 0.576 25790 7643 1 20 . 1 1 22 22 TYR N N 22 119.594 119.594 120.695 -1.101 25790 7644 1 20 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.242 0.005 25790 7645 1 20 . 1 1 22 22 TYR C C 22 177.789 177.789 177.157 0.632 25790 7646 1 20 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.370 1.341 25790 7647 1 20 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.197 0.527 25790 7648 1 20 . 1 1 22 22 TYR H H 22 7.843 7.843 7.606 0.237 25790 7649 1 20 . 1 1 23 23 ALA N N 23 120.663 120.663 120.904 -0.241 25790 7650 1 20 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.622 0.235 25790 7651 1 20 . 1 1 23 23 ALA C C 23 179.319 179.319 179.061 0.258 25790 7652 1 20 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.767 0.822 25790 7653 1 20 . 1 1 23 23 ALA CB C 23 18.482 18.482 17.976 0.506 25790 7654 1 20 . 1 1 23 23 ALA H H 23 8.612 8.612 8.602 0.010 25790 7655 1 20 . 1 1 24 24 ALA N N 24 119.002 119.002 119.220 -0.218 25790 7656 1 20 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.062 -0.124 25790 7657 1 20 . 1 1 24 24 ALA C C 24 178.987 178.987 179.109 -0.122 25790 7658 1 20 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.301 0.016 25790 7659 1 20 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.570 -0.679 25790 7660 1 20 . 1 1 24 24 ALA H H 24 8.168 8.168 8.139 0.029 25790 7661 1 20 . 1 1 25 25 GLN N N 25 115.599 115.599 116.646 -1.047 25790 7662 1 20 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.047 -0.043 25790 7663 1 20 . 1 1 25 25 GLN C C 25 177.818 177.818 177.612 0.206 25790 7664 1 20 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.886 -0.432 25790 7665 1 20 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.673 -0.218 25790 7666 1 20 . 1 1 25 25 GLN H H 25 7.300 7.300 7.485 -0.185 25790 7667 1 20 . 1 1 26 26 GLN N N 26 116.989 116.989 117.004 -0.015 25790 7668 1 20 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.985 -0.281 25790 7669 1 20 . 1 1 26 26 GLN C C 26 175.979 175.979 176.101 -0.122 25790 7670 1 20 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.961 -0.173 25790 7671 1 20 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.715 -0.635 25790 7672 1 20 . 1 1 26 26 GLN H H 26 7.401 7.401 7.195 0.206 25790 7673 1 20 . 1 1 27 27 TYR N N 27 114.712 114.712 117.830 -3.118 25790 7674 1 20 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.951 0.127 25790 7675 1 20 . 1 1 27 27 TYR C C 27 172.931 172.931 173.599 -0.668 25790 7676 1 20 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.005 1.162 25790 7677 1 20 . 1 1 27 27 TYR CB C 27 39.660 39.660 37.899 1.761 25790 7678 1 20 . 1 1 27 27 TYR H H 27 7.675 7.675 8.125 -0.450 25790 7679 1 20 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.495 -0.133 25790 7680 1 20 . 1 1 28 28 PRO C C 28 179.333 179.333 177.859 1.474 25790 7681 1 20 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.888 0.506 25790 7682 1 20 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.465 -1.211 25790 7683 1 20 . 1 1 29 29 GLY N N 29 110.091 110.091 112.708 -2.617 25790 7684 1 20 . 1 1 29 29 GLY C C 29 173.218 173.218 174.281 -1.063 25790 7685 1 20 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.155 0.757 25790 7686 1 20 . 1 1 29 29 GLY H H 29 8.826 8.826 8.708 0.118 25790 7687 1 20 . 1 1 30 30 ASN N N 30 118.603 118.603 120.889 -2.286 25790 7688 1 20 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.115 -0.116 25790 7689 1 20 . 1 1 30 30 ASN C C 30 173.977 173.977 174.614 -0.637 25790 7690 1 20 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.558 -0.373 25790 7691 1 20 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.953 -0.527 25790 7692 1 20 . 1 1 30 30 ASN H H 30 7.293 7.293 7.699 -0.406 25790 7693 1 20 . 1 1 31 31 TYR N N 31 125.240 125.240 126.215 -0.975 25790 7694 1 20 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.060 -0.162 25790 7695 1 20 . 1 1 31 31 TYR C C 31 177.343 177.343 176.336 1.007 25790 7696 1 20 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.783 -0.972 25790 7697 1 20 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.864 -0.507 25790 7698 1 20 . 1 1 31 31 TYR H H 31 8.509 8.509 8.568 -0.059 25790 7699 1 20 . 1 1 32 32 GLU N N 32 118.993 118.993 116.402 2.591 25790 7700 1 20 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.749 0.151 25790 7701 1 20 . 1 1 32 32 GLU C C 32 179.549 179.549 178.497 1.052 25790 7702 1 20 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.520 0.592 25790 7703 1 20 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.034 1.134 25790 7704 1 20 . 1 1 32 32 GLU H H 32 8.714 8.714 8.746 -0.032 25790 7705 1 20 . 1 1 33 33 GLN N N 33 117.037 117.037 118.576 -1.539 25790 7706 1 20 . 1 1 33 33 GLN HA H 33 3.733 3.733 4.007 -0.274 25790 7707 1 20 . 1 1 33 33 GLN C C 33 179.119 179.119 178.783 0.336 25790 7708 1 20 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.327 -0.625 25790 7709 1 20 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.494 0.132 25790 7710 1 20 . 1 1 33 33 GLN H H 33 7.536 7.536 8.323 -0.787 25790 7711 1 20 . 1 1 34 34 GLN N N 34 117.723 117.723 119.551 -1.828 25790 7712 1 20 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.087 -0.276 25790 7713 1 20 . 1 1 34 34 GLN C C 34 177.634 177.634 178.597 -0.963 25790 7714 1 20 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.518 0.647 25790 7715 1 20 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.403 -0.902 25790 7716 1 20 . 1 1 34 34 GLN H H 34 7.968 7.968 8.334 -0.366 25790 7717 1 20 . 1 1 35 35 GLN N N 35 115.293 115.293 118.726 -3.433 25790 7718 1 20 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.035 -0.244 25790 7719 1 20 . 1 1 35 35 GLN C C 35 178.757 178.757 178.674 0.083 25790 7720 1 20 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.351 0.259 25790 7721 1 20 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.255 -0.050 25790 7722 1 20 . 1 1 35 35 GLN H H 35 7.870 7.870 7.559 0.311 25790 7723 1 20 . 1 1 36 36 ILE N N 36 120.769 120.769 120.498 0.271 25790 7724 1 20 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.734 -0.170 25790 7725 1 20 . 1 1 36 36 ILE C C 36 178.273 178.273 178.325 -0.052 25790 7726 1 20 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.527 -0.291 25790 7727 1 20 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.686 0.687 25790 7728 1 20 . 1 1 36 36 ILE H H 36 7.503 7.503 8.025 -0.522 25790 7729 1 20 . 1 1 37 37 LEU N N 37 121.056 121.056 121.663 -0.607 25790 7730 1 20 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.111 0.198 25790 7731 1 20 . 1 1 37 37 LEU C C 37 178.348 178.348 178.325 0.023 25790 7732 1 20 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.071 -0.337 25790 7733 1 20 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.764 -0.248 25790 7734 1 20 . 1 1 37 37 LEU H H 37 7.678 7.678 8.167 -0.489 25790 7735 1 20 . 1 1 38 38 ILE N N 38 119.334 119.334 119.594 -0.260 25790 7736 1 20 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.679 -0.338 25790 7737 1 20 . 1 1 38 38 ILE C C 38 177.371 177.371 178.121 -0.750 25790 7738 1 20 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.595 1.490 25790 7739 1 20 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.539 0.810 25790 7740 1 20 . 1 1 38 38 ILE H H 38 8.702 8.702 8.225 0.477 25790 7741 1 20 . 1 1 39 39 ARG N N 39 117.798 117.798 120.186 -2.388 25790 7742 1 20 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.263 -0.048 25790 7743 1 20 . 1 1 39 39 ARG C C 39 179.555 179.555 179.243 0.312 25790 7744 1 20 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.114 0.346 25790 7745 1 20 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.560 0.192 25790 7746 1 20 . 1 1 39 39 ARG H H 39 7.739 7.739 8.061 -0.322 25790 7747 1 20 . 1 1 40 40 GLN N N 40 119.432 119.432 119.123 0.309 25790 7748 1 20 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.205 -0.068 25790 7749 1 20 . 1 1 40 40 GLN C C 40 179.522 179.522 178.785 0.737 25790 7750 1 20 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.874 0.386 25790 7751 1 20 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.387 -0.028 25790 7752 1 20 . 1 1 40 40 GLN H H 40 7.811 7.811 7.656 0.155 25790 7753 1 20 . 1 1 41 41 LEU N N 41 121.592 121.592 120.924 0.668 25790 7754 1 20 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.912 -0.225 25790 7755 1 20 . 1 1 41 41 LEU C C 41 178.974 178.974 179.556 -0.582 25790 7756 1 20 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.889 0.074 25790 7757 1 20 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.292 -1.440 25790 7758 1 20 . 1 1 41 41 LEU H H 41 8.648 8.648 8.207 0.441 25790 7759 1 20 . 1 1 42 42 GLN N N 42 119.054 119.054 118.237 0.817 25790 7760 1 20 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.265 0.279 25790 7761 1 20 . 1 1 42 42 GLN C C 42 180.176 180.176 178.571 1.605 25790 7762 1 20 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.446 -0.212 25790 7763 1 20 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.614 -0.694 25790 7764 1 20 . 1 1 42 42 GLN H H 42 8.641 8.641 8.851 -0.210 25790 7765 1 20 . 1 1 43 43 GLU N N 43 121.517 121.517 120.610 0.907 25790 7766 1 20 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.030 0.206 25790 7767 1 20 . 1 1 43 43 GLU C C 43 179.721 179.721 178.873 0.848 25790 7768 1 20 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.805 -0.138 25790 7769 1 20 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.519 -0.261 25790 7770 1 20 . 1 1 43 43 GLU H H 43 8.111 8.111 7.984 0.127 25790 7771 1 20 . 1 1 44 44 GLN N N 44 119.240 119.240 117.865 1.375 25790 7772 1 20 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.137 -0.021 25790 7773 1 20 . 1 1 44 44 GLN C C 44 179.012 179.012 178.567 0.445 25790 7774 1 20 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.681 0.468 25790 7775 1 20 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.934 -0.080 25790 7776 1 20 . 1 1 44 44 GLN H H 44 8.372 8.372 7.756 0.616 25790 7777 1 20 . 1 1 45 45 HIS N N 45 121.705 121.705 120.028 1.677 25790 7778 1 20 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.362 -0.082 25790 7779 1 20 . 1 1 45 45 HIS C C 45 176.395 176.395 177.239 -0.844 25790 7780 1 20 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.663 0.696 25790 7781 1 20 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.212 2.113 25790 7782 1 20 . 1 1 45 45 HIS H H 45 9.472 9.472 8.273 1.199 25790 7783 1 20 . 1 1 46 46 TYR N N 46 119.039 119.039 119.951 -0.912 25790 7784 1 20 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.206 -0.357 25790 7785 1 20 . 1 1 46 46 TYR C C 46 176.664 176.664 177.492 -0.828 25790 7786 1 20 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.946 0.305 25790 7787 1 20 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.329 -0.657 25790 7788 1 20 . 1 1 46 46 TYR H H 46 8.253 8.253 8.489 -0.236 25790 7789 1 20 . 1 1 47 47 GLN N N 47 116.407 116.407 117.591 -1.184 25790 7790 1 20 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.845 -0.061 25790 7791 1 20 . 1 1 47 47 GLN C C 47 179.048 179.048 178.000 1.048 25790 7792 1 20 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.274 -0.325 25790 7793 1 20 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.000 0.181 25790 7794 1 20 . 1 1 47 47 GLN H H 47 7.814 7.814 7.753 0.061 25790 7795 1 20 . 1 1 48 48 GLN N N 48 119.803 119.803 119.881 -0.078 25790 7796 1 20 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.980 -0.003 25790 7797 1 20 . 1 1 48 48 GLN C C 48 177.741 177.741 178.107 -0.366 25790 7798 1 20 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.897 -0.583 25790 7799 1 20 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.141 0.187 25790 7800 1 20 . 1 1 48 48 GLN H H 48 8.645 8.645 7.985 0.660 25790 7801 1 20 . 1 1 49 49 TYR N N 49 121.342 121.342 121.539 -0.197 25790 7802 1 20 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.069 -0.429 25790 7803 1 20 . 1 1 49 49 TYR C C 49 176.021 176.021 177.709 -1.688 25790 7804 1 20 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.251 0.858 25790 7805 1 20 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.301 0.606 25790 7806 1 20 . 1 1 49 49 TYR H H 49 9.105 9.105 7.753 1.352 25790 7807 1 20 . 1 1 50 50 MET N N 50 115.522 115.522 116.894 -1.372 25790 7808 1 20 . 1 1 50 50 MET HA H 50 4.040 4.040 3.747 0.293 25790 7809 1 20 . 1 1 50 50 MET C C 50 179.841 179.841 178.630 1.211 25790 7810 1 20 . 1 1 50 50 MET CA C 50 56.623 56.623 57.152 -0.529 25790 7811 1 20 . 1 1 50 50 MET CB C 50 30.099 30.099 31.009 -0.910 25790 7812 1 20 . 1 1 50 50 MET H H 50 8.060 8.060 7.805 0.255 25790 7813 1 20 . 1 1 51 51 GLN N N 51 118.942 118.942 118.709 0.233 25790 7814 1 20 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.932 0.133 25790 7815 1 20 . 1 1 51 51 GLN C C 51 178.707 178.707 178.485 0.222 25790 7816 1 20 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.000 -0.059 25790 7817 1 20 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.406 0.083 25790 7818 1 20 . 1 1 51 51 GLN H H 51 7.830 7.830 8.252 -0.422 25790 7819 1 20 . 1 1 52 52 GLN N N 52 119.210 119.210 120.170 -0.960 25790 7820 1 20 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.098 -0.041 25790 7821 1 20 . 1 1 52 52 GLN C C 52 178.738 178.738 178.287 0.451 25790 7822 1 20 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.265 0.484 25790 7823 1 20 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.288 0.115 25790 7824 1 20 . 1 1 52 52 GLN H H 52 8.187 8.187 8.085 0.102 25790 7825 1 20 . 1 1 53 53 LEU N N 53 121.233 121.233 120.233 1.000 25790 7826 1 20 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.821 0.020 25790 7827 1 20 . 1 1 53 53 LEU C C 53 179.191 179.191 178.586 0.605 25790 7828 1 20 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.476 0.269 25790 7829 1 20 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.414 0.452 25790 7830 1 20 . 1 1 53 53 LEU H H 53 8.441 8.441 8.078 0.363 25790 7831 1 20 . 1 1 54 54 TYR N N 54 118.505 118.505 119.954 -1.449 25790 7832 1 20 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.975 0.343 25790 7833 1 20 . 1 1 54 54 TYR C C 54 177.535 177.535 177.105 0.430 25790 7834 1 20 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.254 -1.777 25790 7835 1 20 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.845 -0.059 25790 7836 1 20 . 1 1 54 54 TYR H H 54 7.819 7.819 8.026 -0.207 25790 7837 1 20 . 1 1 55 55 GLN N N 55 117.299 117.299 118.009 -0.710 25790 7838 1 20 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.557 0.342 25790 7839 1 20 . 1 1 55 55 GLN C C 55 179.041 179.041 178.226 0.815 25790 7840 1 20 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.678 0.031 25790 7841 1 20 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.231 -0.016 25790 7842 1 20 . 1 1 55 55 GLN H H 55 7.735 7.735 7.585 0.150 25790 7843 1 20 . 1 1 56 56 VAL N N 56 120.879 120.879 120.858 0.021 25790 7844 1 20 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.638 0.154 25790 7845 1 20 . 1 1 56 56 VAL C C 56 178.262 178.262 178.135 0.127 25790 7846 1 20 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.284 -0.342 25790 7847 1 20 . 1 1 56 56 VAL CB C 56 31.879 31.879 30.834 1.045 25790 7848 1 20 . 1 1 56 56 VAL H H 56 8.014 8.014 8.107 -0.093 25790 7849 1 20 . 1 1 57 57 GLN N N 57 120.513 120.513 119.335 1.178 25790 7850 1 20 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.033 0.027 25790 7851 1 20 . 1 1 57 57 GLN C C 57 178.772 178.772 179.019 -0.247 25790 7852 1 20 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.164 -0.548 25790 7853 1 20 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.594 -0.609 25790 7854 1 20 . 1 1 57 57 GLN H H 57 8.103 8.103 8.113 -0.010 25790 7855 1 20 . 1 1 58 58 LEU N N 58 121.244 121.244 119.636 1.608 25790 7856 1 20 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.875 0.130 25790 7857 1 20 . 1 1 58 58 LEU C C 58 179.134 179.134 178.929 0.205 25790 7858 1 20 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.709 -0.203 25790 7859 1 20 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.256 0.547 25790 7860 1 20 . 1 1 58 58 LEU H H 58 8.176 8.176 8.111 0.065 25790 7861 1 20 . 1 1 59 59 ALA N N 59 121.608 121.608 121.491 0.117 25790 7862 1 20 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.848 0.317 25790 7863 1 20 . 1 1 59 59 ALA C C 59 180.497 180.497 179.909 0.588 25790 7864 1 20 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.163 -0.582 25790 7865 1 20 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.009 0.044 25790 7866 1 20 . 1 1 59 59 ALA H H 59 7.833 7.833 8.116 -0.283 25790 7867 1 20 . 1 1 60 60 GLN N N 60 118.335 118.335 117.539 0.796 25790 7868 1 20 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.929 0.219 25790 7869 1 20 . 1 1 60 60 GLN C C 60 178.334 178.334 178.769 -0.435 25790 7870 1 20 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.846 -0.869 25790 7871 1 20 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.885 -0.450 25790 7872 1 20 . 1 1 60 60 GLN H H 60 8.081 8.081 8.151 -0.070 25790 7873 1 20 . 1 1 61 61 GLN N N 61 120.206 120.206 119.129 1.077 25790 7874 1 20 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.980 0.182 25790 7875 1 20 . 1 1 61 61 GLN C C 61 178.002 178.002 178.376 -0.374 25790 7876 1 20 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.831 -0.927 25790 7877 1 20 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.585 -0.006 25790 7878 1 20 . 1 1 61 61 GLN H H 61 8.111 8.111 8.166 -0.055 25790 7879 1 20 . 1 1 62 62 GLN N N 62 118.980 118.980 119.449 -0.469 25790 7880 1 20 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.126 0.003 25790 7881 1 20 . 1 1 62 62 GLN C C 62 177.624 177.624 178.223 -0.599 25790 7882 1 20 . 1 1 62 62 GLN CA C 62 57.636 57.636 57.979 -0.343 25790 7883 1 20 . 1 1 62 62 GLN CB C 62 28.636 28.636 27.694 0.942 25790 7884 1 20 . 1 1 62 62 GLN H H 62 8.203 8.203 8.468 -0.265 25790 7885 1 20 . 1 1 63 63 ALA N N 63 122.712 122.712 122.165 0.547 25790 7886 1 20 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.208 -0.002 25790 7887 1 20 . 1 1 63 63 ALA C C 63 178.922 178.922 178.300 0.622 25790 7888 1 20 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.157 -0.261 25790 7889 1 20 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.081 0.378 25790 7890 1 20 . 1 1 63 63 ALA H H 63 8.004 8.004 7.805 0.199 25790 7891 1 20 . 1 1 64 64 ALA N N 64 120.813 120.813 120.892 -0.079 25790 7892 1 20 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.226 0.006 25790 7893 1 20 . 1 1 64 64 ALA C C 64 178.732 178.732 178.736 -0.004 25790 7894 1 20 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.643 -0.127 25790 7895 1 20 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.412 -0.782 25790 7896 1 20 . 1 1 64 64 ALA H H 64 7.837 7.837 7.444 0.393 25790 7897 1 20 . 1 1 65 65 LEU N N 65 119.196 119.196 117.819 1.377 25790 7898 1 20 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.144 0.113 25790 7899 1 20 . 1 1 65 65 LEU C C 65 178.038 178.038 177.512 0.526 25790 7900 1 20 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.917 -0.095 25790 7901 1 20 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.619 -0.355 25790 7902 1 20 . 1 1 65 65 LEU H H 65 7.765 7.765 7.919 -0.154 25790 7903 1 20 . 1 1 66 66 GLN N N 66 119.365 119.365 114.325 5.040 25790 7904 1 20 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.021 0.254 25790 7905 1 20 . 1 1 66 66 GLN C C 66 176.120 176.120 175.615 0.505 25790 7906 1 20 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.930 -0.863 25790 7907 1 20 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.294 2.838 25790 7908 1 20 . 1 1 66 66 GLN H H 66 7.967 7.967 7.913 0.054 25790 7909 1 20 . 1 1 67 67 LYS N N 67 121.521 121.521 118.670 2.851 25790 7910 1 20 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.419 -0.110 25790 7911 1 20 . 1 1 67 67 LYS C C 67 176.437 176.437 175.776 0.661 25790 7912 1 20 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.646 0.743 25790 7913 1 20 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.650 0.391 25790 7914 1 20 . 1 1 67 67 LYS H H 67 8.053 8.053 8.109 -0.056 25790 7915 1 20 . 1 1 68 68 GLN N N 68 121.970 121.970 117.857 4.113 25790 7916 1 20 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.973 0.366 25790 7917 1 20 . 1 1 68 68 GLN C C 68 175.120 175.120 176.139 -1.019 25790 7918 1 20 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.261 -0.261 25790 7919 1 20 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.117 3.381 25790 7920 1 20 . 1 1 68 68 GLN H H 68 8.314 8.314 8.365 -0.051 25790 7921 1 21 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.085 0.362 25790 7922 1 21 . 1 1 2 2 GLN C C 2 176.144 176.144 175.598 0.546 25790 7923 1 21 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.491 -0.282 25790 7924 1 21 . 1 1 2 2 GLN CB C 2 29.459 29.459 27.766 1.693 25790 7925 1 21 . 1 1 3 3 GLN N N 3 122.052 122.052 117.322 4.730 25790 7926 1 21 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.093 0.230 25790 7927 1 21 . 1 1 3 3 GLN C C 3 176.988 176.988 177.462 -0.474 25790 7928 1 21 . 1 1 3 3 GLN CA C 3 57.403 57.403 57.510 -0.107 25790 7929 1 21 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.122 1.117 25790 7930 1 21 . 1 1 3 3 GLN H H 3 8.780 8.780 8.685 0.095 25790 7931 1 21 . 1 1 4 4 LYS N N 4 121.855 121.855 120.416 1.439 25790 7932 1 21 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.051 -0.047 25790 7933 1 21 . 1 1 4 4 LYS C C 4 177.638 177.638 178.499 -0.861 25790 7934 1 21 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.727 0.512 25790 7935 1 21 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.977 0.722 25790 7936 1 21 . 1 1 4 4 LYS H H 4 8.528 8.528 8.344 0.184 25790 7937 1 21 . 1 1 5 5 GLN N N 5 116.397 116.397 117.147 -0.750 25790 7938 1 21 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.991 -0.050 25790 7939 1 21 . 1 1 5 5 GLN C C 5 178.761 178.761 178.308 0.453 25790 7940 1 21 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.496 0.853 25790 7941 1 21 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.971 -0.021 25790 7942 1 21 . 1 1 5 5 GLN H H 5 8.223 8.223 7.801 0.422 25790 7943 1 21 . 1 1 6 6 GLN N N 6 119.262 119.262 119.292 -0.030 25790 7944 1 21 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.098 0.030 25790 7945 1 21 . 1 1 6 6 GLN C C 6 179.018 179.018 178.479 0.539 25790 7946 1 21 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.732 0.357 25790 7947 1 21 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.336 0.374 25790 7948 1 21 . 1 1 6 6 GLN H H 6 7.848 7.848 8.003 -0.155 25790 7949 1 21 . 1 1 7 7 ILE N N 7 121.296 121.296 119.971 1.325 25790 7950 1 21 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.767 -0.184 25790 7951 1 21 . 1 1 7 7 ILE C C 7 177.833 177.833 177.906 -0.073 25790 7952 1 21 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.781 0.347 25790 7953 1 21 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.686 0.520 25790 7954 1 21 . 1 1 7 7 ILE H H 7 8.095 8.095 8.015 0.080 25790 7955 1 21 . 1 1 8 8 MET N N 8 117.603 117.603 119.030 -1.427 25790 7956 1 21 . 1 1 8 8 MET HA H 8 3.985 3.985 4.108 -0.123 25790 7957 1 21 . 1 1 8 8 MET C C 8 177.355 177.355 178.309 -0.954 25790 7958 1 21 . 1 1 8 8 MET CA C 8 59.932 59.932 59.472 0.460 25790 7959 1 21 . 1 1 8 8 MET CB C 8 32.721 32.721 32.208 0.513 25790 7960 1 21 . 1 1 8 8 MET H H 8 8.672 8.672 8.005 0.667 25790 7961 1 21 . 1 1 9 9 ALA N N 9 118.774 118.774 121.548 -2.774 25790 7962 1 21 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.961 0.085 25790 7963 1 21 . 1 1 9 9 ALA C C 9 180.546 180.546 179.252 1.294 25790 7964 1 21 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.186 0.199 25790 7965 1 21 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.864 0.034 25790 7966 1 21 . 1 1 9 9 ALA H H 9 7.795 7.795 8.024 -0.229 25790 7967 1 21 . 1 1 10 10 ALA N N 10 120.854 120.854 121.837 -0.983 25790 7968 1 21 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.053 0.152 25790 7969 1 21 . 1 1 10 10 ALA C C 10 181.200 181.200 179.531 1.669 25790 7970 1 21 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.684 0.327 25790 7971 1 21 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.494 0.767 25790 7972 1 21 . 1 1 10 10 ALA H H 10 7.438 7.438 7.615 -0.177 25790 7973 1 21 . 1 1 11 11 LEU N N 11 120.775 120.775 118.354 2.421 25790 7974 1 21 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.775 -0.027 25790 7975 1 21 . 1 1 11 11 LEU C C 11 179.041 179.041 179.547 -0.506 25790 7976 1 21 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.663 0.684 25790 7977 1 21 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.501 -1.524 25790 7978 1 21 . 1 1 11 11 LEU H H 11 8.757 8.757 8.239 0.518 25790 7979 1 21 . 1 1 12 12 ASN N N 12 116.313 116.313 118.062 -1.749 25790 7980 1 21 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.509 0.055 25790 7981 1 21 . 1 1 12 12 ASN C C 12 178.900 178.900 177.636 1.264 25790 7982 1 21 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.395 -1.330 25790 7983 1 21 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.797 -0.804 25790 7984 1 21 . 1 1 12 12 ASN H H 12 8.850 8.850 8.592 0.258 25790 7985 1 21 . 1 1 13 13 SER N N 13 114.747 114.747 115.403 -0.656 25790 7986 1 21 . 1 1 13 13 SER HA H 13 4.370 4.370 4.156 0.214 25790 7987 1 21 . 1 1 13 13 SER C C 13 176.515 176.515 175.515 1.000 25790 7988 1 21 . 1 1 13 13 SER CA C 13 61.141 61.141 61.447 -0.305 25790 7989 1 21 . 1 1 13 13 SER CB C 13 63.044 63.044 62.932 0.112 25790 7990 1 21 . 1 1 13 13 SER H H 13 7.672 7.672 7.690 -0.018 25790 7991 1 21 . 1 1 14 14 GLN N N 14 119.954 119.954 117.382 2.572 25790 7992 1 21 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.157 0.061 25790 7993 1 21 . 1 1 14 14 GLN C C 14 178.208 178.208 176.754 1.454 25790 7994 1 21 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.887 -0.138 25790 7995 1 21 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.197 -0.497 25790 7996 1 21 . 1 1 14 14 GLN H H 14 7.573 7.573 7.506 0.067 25790 7997 1 21 . 1 1 15 15 THR N N 15 107.493 107.493 106.619 0.874 25790 7998 1 21 . 1 1 15 15 THR HA H 15 3.899 3.899 4.243 -0.344 25790 7999 1 21 . 1 1 15 15 THR C C 15 174.683 174.683 175.054 -0.371 25790 8000 1 21 . 1 1 15 15 THR CA C 15 61.551 61.551 60.909 0.642 25790 8001 1 21 . 1 1 15 15 THR CB C 15 69.226 69.226 69.298 -0.072 25790 8002 1 21 . 1 1 15 15 THR H H 15 7.741 7.741 6.983 0.758 25790 8003 1 21 . 1 1 16 16 ALA N N 16 124.034 124.034 126.108 -2.074 25790 8004 1 21 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.964 0.171 25790 8005 1 21 . 1 1 16 16 ALA C C 16 179.899 179.899 178.845 1.054 25790 8006 1 21 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.570 0.637 25790 8007 1 21 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.710 1.014 25790 8008 1 21 . 1 1 16 16 ALA H H 16 6.873 6.873 7.754 -0.881 25790 8009 1 21 . 1 1 17 17 VAL N N 17 117.150 117.150 118.125 -0.975 25790 8010 1 21 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.958 -0.244 25790 8011 1 21 . 1 1 17 17 VAL C C 17 178.537 178.537 177.523 1.014 25790 8012 1 21 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.756 1.752 25790 8013 1 21 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.092 0.601 25790 8014 1 21 . 1 1 17 17 VAL H H 17 8.162 8.162 8.297 -0.135 25790 8015 1 21 . 1 1 18 18 GLN N N 18 119.489 119.489 120.197 -0.708 25790 8016 1 21 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.064 -0.007 25790 8017 1 21 . 1 1 18 18 GLN C C 18 180.429 180.429 178.609 1.820 25790 8018 1 21 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.257 0.443 25790 8019 1 21 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.480 0.706 25790 8020 1 21 . 1 1 18 18 GLN H H 18 8.451 8.451 7.921 0.530 25790 8021 1 21 . 1 1 19 19 PHE N N 19 117.940 117.940 117.600 0.340 25790 8022 1 21 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.540 0.290 25790 8023 1 21 . 1 1 19 19 PHE C C 19 177.858 177.858 178.030 -0.172 25790 8024 1 21 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.769 -0.740 25790 8025 1 21 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.304 -2.399 25790 8026 1 21 . 1 1 19 19 PHE H H 19 8.924 8.924 8.585 0.339 25790 8027 1 21 . 1 1 20 20 GLN N N 20 120.297 120.297 120.663 -0.366 25790 8028 1 21 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.923 0.183 25790 8029 1 21 . 1 1 20 20 GLN C C 20 178.986 178.986 178.235 0.751 25790 8030 1 21 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.992 -0.429 25790 8031 1 21 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.474 -0.579 25790 8032 1 21 . 1 1 20 20 GLN H H 20 8.264 8.264 7.877 0.387 25790 8033 1 21 . 1 1 21 21 GLN N N 21 118.595 118.595 118.300 0.295 25790 8034 1 21 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.079 0.003 25790 8035 1 21 . 1 1 21 21 GLN C C 21 178.806 178.806 178.598 0.208 25790 8036 1 21 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.750 0.420 25790 8037 1 21 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.746 -0.550 25790 8038 1 21 . 1 1 21 21 GLN H H 21 8.527 8.527 7.801 0.726 25790 8039 1 21 . 1 1 22 22 TYR N N 22 119.594 119.594 121.233 -1.639 25790 8040 1 21 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.248 -0.001 25790 8041 1 21 . 1 1 22 22 TYR C C 22 177.789 177.789 176.952 0.837 25790 8042 1 21 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.375 1.337 25790 8043 1 21 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.435 0.289 25790 8044 1 21 . 1 1 22 22 TYR H H 22 7.843 7.843 7.598 0.245 25790 8045 1 21 . 1 1 23 23 ALA N N 23 120.663 120.663 121.799 -1.136 25790 8046 1 21 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.641 0.216 25790 8047 1 21 . 1 1 23 23 ALA C C 23 179.319 179.319 178.561 0.758 25790 8048 1 21 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.958 0.631 25790 8049 1 21 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.188 0.294 25790 8050 1 21 . 1 1 23 23 ALA H H 23 8.612 8.612 8.642 -0.030 25790 8051 1 21 . 1 1 24 24 ALA N N 24 119.002 119.002 120.722 -1.720 25790 8052 1 21 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.029 -0.091 25790 8053 1 21 . 1 1 24 24 ALA C C 24 178.987 178.987 179.185 -0.198 25790 8054 1 21 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.436 -0.119 25790 8055 1 21 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.351 -0.460 25790 8056 1 21 . 1 1 24 24 ALA H H 24 8.168 8.168 8.160 0.008 25790 8057 1 21 . 1 1 25 25 GLN N N 25 115.599 115.599 116.718 -1.119 25790 8058 1 21 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.014 -0.010 25790 8059 1 21 . 1 1 25 25 GLN C C 25 177.818 177.818 177.633 0.185 25790 8060 1 21 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.267 -0.814 25790 8061 1 21 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.741 -0.287 25790 8062 1 21 . 1 1 25 25 GLN H H 25 7.300 7.300 7.548 -0.248 25790 8063 1 21 . 1 1 26 26 GLN N N 26 116.989 116.989 116.794 0.195 25790 8064 1 21 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.918 -0.214 25790 8065 1 21 . 1 1 26 26 GLN C C 26 175.979 175.979 176.048 -0.069 25790 8066 1 21 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.145 -0.357 25790 8067 1 21 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.111 -1.031 25790 8068 1 21 . 1 1 26 26 GLN H H 26 7.401 7.401 7.193 0.208 25790 8069 1 21 . 1 1 27 27 TYR N N 27 114.712 114.712 117.660 -2.948 25790 8070 1 21 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.952 0.126 25790 8071 1 21 . 1 1 27 27 TYR C C 27 172.931 172.931 173.615 -0.684 25790 8072 1 21 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.071 1.096 25790 8073 1 21 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.178 1.482 25790 8074 1 21 . 1 1 27 27 TYR H H 27 7.675 7.675 8.303 -0.628 25790 8075 1 21 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.573 -0.211 25790 8076 1 21 . 1 1 28 28 PRO C C 28 179.333 179.333 178.000 1.333 25790 8077 1 21 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.055 0.339 25790 8078 1 21 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.142 -0.889 25790 8079 1 21 . 1 1 29 29 GLY N N 29 110.091 110.091 112.667 -2.576 25790 8080 1 21 . 1 1 29 29 GLY C C 29 173.218 173.218 174.531 -1.313 25790 8081 1 21 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.367 0.545 25790 8082 1 21 . 1 1 29 29 GLY H H 29 8.826 8.826 8.871 -0.045 25790 8083 1 21 . 1 1 30 30 ASN N N 30 118.603 118.603 121.457 -2.854 25790 8084 1 21 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.075 -0.076 25790 8085 1 21 . 1 1 30 30 ASN C C 30 173.977 173.977 174.742 -0.765 25790 8086 1 21 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.599 -0.414 25790 8087 1 21 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.131 0.295 25790 8088 1 21 . 1 1 30 30 ASN H H 30 7.293 7.293 7.738 -0.445 25790 8089 1 21 . 1 1 31 31 TYR N N 31 125.240 125.240 126.149 -0.909 25790 8090 1 21 . 1 1 31 31 TYR HA H 31 3.898 3.898 3.986 -0.088 25790 8091 1 21 . 1 1 31 31 TYR C C 31 177.343 177.343 176.754 0.589 25790 8092 1 21 . 1 1 31 31 TYR CA C 31 61.811 61.811 63.390 -1.579 25790 8093 1 21 . 1 1 31 31 TYR CB C 31 38.357 38.357 39.035 -0.679 25790 8094 1 21 . 1 1 31 31 TYR H H 31 8.509 8.509 7.923 0.586 25790 8095 1 21 . 1 1 32 32 GLU N N 32 118.993 118.993 116.468 2.525 25790 8096 1 21 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.761 0.139 25790 8097 1 21 . 1 1 32 32 GLU C C 32 179.549 179.549 178.551 0.998 25790 8098 1 21 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.469 0.643 25790 8099 1 21 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.037 1.131 25790 8100 1 21 . 1 1 32 32 GLU H H 32 8.714 8.714 8.757 -0.043 25790 8101 1 21 . 1 1 33 33 GLN N N 33 117.037 117.037 118.650 -1.613 25790 8102 1 21 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.967 -0.234 25790 8103 1 21 . 1 1 33 33 GLN C C 33 179.119 179.119 178.800 0.319 25790 8104 1 21 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.478 -0.776 25790 8105 1 21 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.508 0.118 25790 8106 1 21 . 1 1 33 33 GLN H H 33 7.536 7.536 8.336 -0.800 25790 8107 1 21 . 1 1 34 34 GLN N N 34 117.723 117.723 119.354 -1.631 25790 8108 1 21 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.109 -0.298 25790 8109 1 21 . 1 1 34 34 GLN C C 34 177.634 177.634 178.594 -0.960 25790 8110 1 21 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.485 0.680 25790 8111 1 21 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.460 -0.959 25790 8112 1 21 . 1 1 34 34 GLN H H 34 7.968 7.968 8.471 -0.503 25790 8113 1 21 . 1 1 35 35 GLN N N 35 115.293 115.293 118.766 -3.473 25790 8114 1 21 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.061 -0.270 25790 8115 1 21 . 1 1 35 35 GLN C C 35 178.757 178.757 178.639 0.118 25790 8116 1 21 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.155 0.455 25790 8117 1 21 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.215 -0.010 25790 8118 1 21 . 1 1 35 35 GLN H H 35 7.870 7.870 7.571 0.299 25790 8119 1 21 . 1 1 36 36 ILE N N 36 120.769 120.769 120.980 -0.211 25790 8120 1 21 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.685 -0.121 25790 8121 1 21 . 1 1 36 36 ILE C C 36 178.273 178.273 178.170 0.103 25790 8122 1 21 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.246 -0.010 25790 8123 1 21 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.708 0.666 25790 8124 1 21 . 1 1 36 36 ILE H H 36 7.503 7.503 8.017 -0.514 25790 8125 1 21 . 1 1 37 37 LEU N N 37 121.056 121.056 121.794 -0.738 25790 8126 1 21 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.118 0.191 25790 8127 1 21 . 1 1 37 37 LEU C C 37 178.348 178.348 178.370 -0.022 25790 8128 1 21 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.198 -0.464 25790 8129 1 21 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.818 -0.302 25790 8130 1 21 . 1 1 37 37 LEU H H 37 7.678 7.678 8.077 -0.399 25790 8131 1 21 . 1 1 38 38 ILE N N 38 119.334 119.334 119.573 -0.239 25790 8132 1 21 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.677 -0.336 25790 8133 1 21 . 1 1 38 38 ILE C C 38 177.371 177.371 177.954 -0.583 25790 8134 1 21 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.794 1.291 25790 8135 1 21 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.569 0.779 25790 8136 1 21 . 1 1 38 38 ILE H H 38 8.702 8.702 8.060 0.642 25790 8137 1 21 . 1 1 39 39 ARG N N 39 117.798 117.798 120.004 -2.206 25790 8138 1 21 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.030 0.185 25790 8139 1 21 . 1 1 39 39 ARG C C 39 179.555 179.555 178.825 0.730 25790 8140 1 21 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.239 0.220 25790 8141 1 21 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.728 0.024 25790 8142 1 21 . 1 1 39 39 ARG H H 39 7.739 7.739 8.167 -0.428 25790 8143 1 21 . 1 1 40 40 GLN N N 40 119.432 119.432 119.094 0.338 25790 8144 1 21 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.193 -0.056 25790 8145 1 21 . 1 1 40 40 GLN C C 40 179.522 179.522 178.424 1.098 25790 8146 1 21 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.716 0.544 25790 8147 1 21 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.696 -0.338 25790 8148 1 21 . 1 1 40 40 GLN H H 40 7.811 7.811 7.625 0.186 25790 8149 1 21 . 1 1 41 41 LEU N N 41 121.592 121.592 120.493 1.099 25790 8150 1 21 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.888 -0.201 25790 8151 1 21 . 1 1 41 41 LEU C C 41 178.974 178.974 179.578 -0.604 25790 8152 1 21 . 1 1 41 41 LEU CA C 41 57.963 57.963 58.066 -0.103 25790 8153 1 21 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.437 -1.585 25790 8154 1 21 . 1 1 41 41 LEU H H 41 8.648 8.648 8.504 0.144 25790 8155 1 21 . 1 1 42 42 GLN N N 42 119.054 119.054 117.735 1.319 25790 8156 1 21 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.261 0.283 25790 8157 1 21 . 1 1 42 42 GLN C C 42 180.176 180.176 178.537 1.639 25790 8158 1 21 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.780 -0.546 25790 8159 1 21 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.681 -0.761 25790 8160 1 21 . 1 1 42 42 GLN H H 42 8.641 8.641 8.535 0.106 25790 8161 1 21 . 1 1 43 43 GLU N N 43 121.517 121.517 119.861 1.656 25790 8162 1 21 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.101 0.135 25790 8163 1 21 . 1 1 43 43 GLU C C 43 179.721 179.721 178.836 0.885 25790 8164 1 21 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.170 0.497 25790 8165 1 21 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.254 0.004 25790 8166 1 21 . 1 1 43 43 GLU H H 43 8.111 8.111 7.820 0.291 25790 8167 1 21 . 1 1 44 44 GLN N N 44 119.240 119.240 119.403 -0.163 25790 8168 1 21 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.175 -0.059 25790 8169 1 21 . 1 1 44 44 GLN C C 44 179.012 179.012 178.313 0.699 25790 8170 1 21 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.701 0.448 25790 8171 1 21 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.732 0.122 25790 8172 1 21 . 1 1 44 44 GLN H H 44 8.372 8.372 7.755 0.617 25790 8173 1 21 . 1 1 45 45 HIS N N 45 121.705 121.705 118.252 3.453 25790 8174 1 21 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.426 -0.146 25790 8175 1 21 . 1 1 45 45 HIS C C 45 176.395 176.395 177.561 -1.166 25790 8176 1 21 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.743 0.616 25790 8177 1 21 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.119 2.206 25790 8178 1 21 . 1 1 45 45 HIS H H 45 9.472 9.472 8.495 0.977 25790 8179 1 21 . 1 1 46 46 TYR N N 46 119.039 119.039 120.697 -1.658 25790 8180 1 21 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.197 -0.348 25790 8181 1 21 . 1 1 46 46 TYR C C 46 176.664 176.664 177.458 -0.794 25790 8182 1 21 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.992 0.259 25790 8183 1 21 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.372 -0.700 25790 8184 1 21 . 1 1 46 46 TYR H H 46 8.253 8.253 8.257 -0.004 25790 8185 1 21 . 1 1 47 47 GLN N N 47 116.407 116.407 117.689 -1.282 25790 8186 1 21 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.923 -0.139 25790 8187 1 21 . 1 1 47 47 GLN C C 47 179.048 179.048 178.240 0.808 25790 8188 1 21 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.424 -0.475 25790 8189 1 21 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.217 -0.036 25790 8190 1 21 . 1 1 47 47 GLN H H 47 7.814 7.814 7.831 -0.017 25790 8191 1 21 . 1 1 48 48 GLN N N 48 119.803 119.803 120.120 -0.317 25790 8192 1 21 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.060 -0.083 25790 8193 1 21 . 1 1 48 48 GLN C C 48 177.741 177.741 178.342 -0.601 25790 8194 1 21 . 1 1 48 48 GLN CA C 48 58.314 58.314 59.129 -0.815 25790 8195 1 21 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.375 -0.047 25790 8196 1 21 . 1 1 48 48 GLN H H 48 8.645 8.645 7.848 0.797 25790 8197 1 21 . 1 1 49 49 TYR N N 49 121.342 121.342 120.658 0.684 25790 8198 1 21 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.114 -0.474 25790 8199 1 21 . 1 1 49 49 TYR C C 49 176.021 176.021 177.715 -1.694 25790 8200 1 21 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.723 0.386 25790 8201 1 21 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.402 0.505 25790 8202 1 21 . 1 1 49 49 TYR H H 49 9.105 9.105 7.690 1.415 25790 8203 1 21 . 1 1 50 50 MET N N 50 115.522 115.522 118.618 -3.096 25790 8204 1 21 . 1 1 50 50 MET HA H 50 4.040 4.040 3.883 0.157 25790 8205 1 21 . 1 1 50 50 MET C C 50 179.841 179.841 178.042 1.799 25790 8206 1 21 . 1 1 50 50 MET CA C 50 56.623 56.623 58.417 -1.794 25790 8207 1 21 . 1 1 50 50 MET CB C 50 30.099 30.099 32.463 -2.364 25790 8208 1 21 . 1 1 50 50 MET H H 50 8.060 8.060 8.009 0.051 25790 8209 1 21 . 1 1 51 51 GLN N N 51 118.942 118.942 118.745 0.197 25790 8210 1 21 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.877 0.188 25790 8211 1 21 . 1 1 51 51 GLN C C 51 178.707 178.707 178.343 0.364 25790 8212 1 21 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.322 -0.381 25790 8213 1 21 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.648 -0.159 25790 8214 1 21 . 1 1 51 51 GLN H H 51 7.830 7.830 8.372 -0.542 25790 8215 1 21 . 1 1 52 52 GLN N N 52 119.210 119.210 119.802 -0.592 25790 8216 1 21 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.062 -0.005 25790 8217 1 21 . 1 1 52 52 GLN C C 52 178.738 178.738 178.488 0.250 25790 8218 1 21 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.367 0.382 25790 8219 1 21 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.246 0.157 25790 8220 1 21 . 1 1 52 52 GLN H H 52 8.187 8.187 7.811 0.376 25790 8221 1 21 . 1 1 53 53 LEU N N 53 121.233 121.233 119.821 1.412 25790 8222 1 21 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.871 -0.030 25790 8223 1 21 . 1 1 53 53 LEU C C 53 179.191 179.191 178.751 0.440 25790 8224 1 21 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.431 0.314 25790 8225 1 21 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.578 0.288 25790 8226 1 21 . 1 1 53 53 LEU H H 53 8.441 8.441 7.640 0.801 25790 8227 1 21 . 1 1 54 54 TYR N N 54 118.505 118.505 119.877 -1.372 25790 8228 1 21 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.056 0.262 25790 8229 1 21 . 1 1 54 54 TYR C C 54 177.535 177.535 176.979 0.556 25790 8230 1 21 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.680 -1.203 25790 8231 1 21 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.850 -0.064 25790 8232 1 21 . 1 1 54 54 TYR H H 54 7.819 7.819 8.131 -0.312 25790 8233 1 21 . 1 1 55 55 GLN N N 55 117.299 117.299 117.964 -0.665 25790 8234 1 21 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.580 0.319 25790 8235 1 21 . 1 1 55 55 GLN C C 55 179.041 179.041 178.148 0.893 25790 8236 1 21 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.691 0.018 25790 8237 1 21 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.400 -0.185 25790 8238 1 21 . 1 1 55 55 GLN H H 55 7.735 7.735 7.638 0.097 25790 8239 1 21 . 1 1 56 56 VAL N N 56 120.879 120.879 120.650 0.229 25790 8240 1 21 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.596 0.196 25790 8241 1 21 . 1 1 56 56 VAL C C 56 178.262 178.262 177.971 0.291 25790 8242 1 21 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.460 -0.519 25790 8243 1 21 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.084 0.795 25790 8244 1 21 . 1 1 56 56 VAL H H 56 8.014 8.014 7.673 0.341 25790 8245 1 21 . 1 1 57 57 GLN N N 57 120.513 120.513 119.315 1.198 25790 8246 1 21 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.970 0.090 25790 8247 1 21 . 1 1 57 57 GLN C C 57 178.772 178.772 178.852 -0.080 25790 8248 1 21 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.390 -0.774 25790 8249 1 21 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.636 -0.651 25790 8250 1 21 . 1 1 57 57 GLN H H 57 8.103 8.103 7.981 0.122 25790 8251 1 21 . 1 1 58 58 LEU N N 58 121.244 121.244 119.809 1.435 25790 8252 1 21 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.879 0.126 25790 8253 1 21 . 1 1 58 58 LEU C C 58 179.134 179.134 178.516 0.618 25790 8254 1 21 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.296 0.210 25790 8255 1 21 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.336 0.468 25790 8256 1 21 . 1 1 58 58 LEU H H 58 8.176 8.176 8.156 0.020 25790 8257 1 21 . 1 1 59 59 ALA N N 59 121.608 121.608 122.315 -0.707 25790 8258 1 21 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.858 0.307 25790 8259 1 21 . 1 1 59 59 ALA C C 59 180.497 180.497 179.786 0.711 25790 8260 1 21 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.083 -0.501 25790 8261 1 21 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.099 -0.046 25790 8262 1 21 . 1 1 59 59 ALA H H 59 7.833 7.833 8.209 -0.376 25790 8263 1 21 . 1 1 60 60 GLN N N 60 118.335 118.335 117.558 0.777 25790 8264 1 21 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.893 0.255 25790 8265 1 21 . 1 1 60 60 GLN C C 60 178.334 178.334 178.942 -0.608 25790 8266 1 21 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.912 -0.935 25790 8267 1 21 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.584 -0.149 25790 8268 1 21 . 1 1 60 60 GLN H H 60 8.081 8.081 7.772 0.309 25790 8269 1 21 . 1 1 61 61 GLN N N 61 120.206 120.206 119.131 1.075 25790 8270 1 21 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.985 0.177 25790 8271 1 21 . 1 1 61 61 GLN C C 61 178.002 178.002 178.609 -0.607 25790 8272 1 21 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.038 -1.133 25790 8273 1 21 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.609 -0.030 25790 8274 1 21 . 1 1 61 61 GLN H H 61 8.111 8.111 7.863 0.248 25790 8275 1 21 . 1 1 62 62 GLN N N 62 118.980 118.980 118.952 0.028 25790 8276 1 21 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.084 0.045 25790 8277 1 21 . 1 1 62 62 GLN C C 62 177.624 177.624 178.366 -0.742 25790 8278 1 21 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.464 -0.828 25790 8279 1 21 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.525 0.111 25790 8280 1 21 . 1 1 62 62 GLN H H 62 8.203 8.203 8.485 -0.282 25790 8281 1 21 . 1 1 63 63 ALA N N 63 122.712 122.712 121.636 1.076 25790 8282 1 21 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.120 0.086 25790 8283 1 21 . 1 1 63 63 ALA C C 63 178.922 178.922 178.117 0.805 25790 8284 1 21 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.680 -0.784 25790 8285 1 21 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.262 0.197 25790 8286 1 21 . 1 1 63 63 ALA H H 63 8.004 8.004 8.114 -0.110 25790 8287 1 21 . 1 1 64 64 ALA N N 64 120.813 120.813 120.396 0.417 25790 8288 1 21 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.230 0.002 25790 8289 1 21 . 1 1 64 64 ALA C C 64 178.732 178.732 178.848 -0.116 25790 8290 1 21 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.447 0.069 25790 8291 1 21 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.477 -0.848 25790 8292 1 21 . 1 1 64 64 ALA H H 64 7.837 7.837 7.517 0.320 25790 8293 1 21 . 1 1 65 65 LEU N N 65 119.196 119.196 119.138 0.058 25790 8294 1 21 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.014 0.243 25790 8295 1 21 . 1 1 65 65 LEU C C 65 178.038 178.038 177.663 0.375 25790 8296 1 21 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.786 -0.964 25790 8297 1 21 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.626 -0.362 25790 8298 1 21 . 1 1 65 65 LEU H H 65 7.765 7.765 8.057 -0.292 25790 8299 1 21 . 1 1 66 66 GLN N N 66 119.365 119.365 113.954 5.411 25790 8300 1 21 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.893 0.382 25790 8301 1 21 . 1 1 66 66 GLN C C 66 176.120 176.120 175.021 1.099 25790 8302 1 21 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.351 -0.284 25790 8303 1 21 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.819 2.313 25790 8304 1 21 . 1 1 66 66 GLN H H 66 7.967 7.967 8.047 -0.080 25790 8305 1 21 . 1 1 67 67 LYS N N 67 121.521 121.521 114.242 7.279 25790 8306 1 21 . 1 1 67 67 LYS HA H 67 4.309 4.309 3.846 0.463 25790 8307 1 21 . 1 1 67 67 LYS C C 67 176.437 176.437 176.057 0.380 25790 8308 1 21 . 1 1 67 67 LYS CA C 67 56.389 56.389 57.266 -0.877 25790 8309 1 21 . 1 1 67 67 LYS CB C 67 33.041 33.041 30.833 2.208 25790 8310 1 21 . 1 1 67 67 LYS H H 67 8.053 8.053 8.296 -0.243 25790 8311 1 21 . 1 1 68 68 GLN N N 68 121.970 121.970 119.029 2.941 25790 8312 1 21 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.234 0.105 25790 8313 1 21 . 1 1 68 68 GLN C C 68 175.120 175.120 175.603 -0.483 25790 8314 1 21 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.092 -0.092 25790 8315 1 21 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.507 1.991 25790 8316 1 21 . 1 1 68 68 GLN H H 68 8.314 8.314 7.885 0.429 25790 8317 1 22 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.334 0.113 25790 8318 1 22 . 1 1 2 2 GLN C C 2 176.144 176.144 175.125 1.019 25790 8319 1 22 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.748 0.461 25790 8320 1 22 . 1 1 2 2 GLN CB C 2 29.459 29.459 26.293 3.166 25790 8321 1 22 . 1 1 3 3 GLN N N 3 122.052 122.052 122.608 -0.556 25790 8322 1 22 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.273 0.050 25790 8323 1 22 . 1 1 3 3 GLN C C 3 176.988 176.988 175.512 1.476 25790 8324 1 22 . 1 1 3 3 GLN CA C 3 57.403 57.403 56.417 0.986 25790 8325 1 22 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.557 1.682 25790 8326 1 22 . 1 1 3 3 GLN H H 3 8.780 8.780 8.055 0.725 25790 8327 1 22 . 1 1 4 4 LYS N N 4 121.855 121.855 118.970 2.885 25790 8328 1 22 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.751 -0.747 25790 8329 1 22 . 1 1 4 4 LYS C C 4 177.638 177.638 177.604 0.034 25790 8330 1 22 . 1 1 4 4 LYS CA C 4 60.239 60.239 57.026 3.213 25790 8331 1 22 . 1 1 4 4 LYS CB C 4 32.699 32.699 34.069 -1.370 25790 8332 1 22 . 1 1 4 4 LYS H H 4 8.528 8.528 8.531 -0.003 25790 8333 1 22 . 1 1 5 5 GLN N N 5 116.397 116.397 120.092 -3.695 25790 8334 1 22 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.052 -0.111 25790 8335 1 22 . 1 1 5 5 GLN C C 5 178.761 178.761 178.173 0.588 25790 8336 1 22 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.970 0.379 25790 8337 1 22 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.564 -0.614 25790 8338 1 22 . 1 1 5 5 GLN H H 5 8.223 8.223 7.620 0.603 25790 8339 1 22 . 1 1 6 6 GLN N N 6 119.262 119.262 118.927 0.335 25790 8340 1 22 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.107 0.021 25790 8341 1 22 . 1 1 6 6 GLN C C 6 179.018 179.018 178.670 0.348 25790 8342 1 22 . 1 1 6 6 GLN CA C 6 59.089 59.089 59.055 0.034 25790 8343 1 22 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.079 0.631 25790 8344 1 22 . 1 1 6 6 GLN H H 6 7.848 7.848 8.624 -0.776 25790 8345 1 22 . 1 1 7 7 ILE N N 7 121.296 121.296 120.052 1.244 25790 8346 1 22 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.754 -0.171 25790 8347 1 22 . 1 1 7 7 ILE C C 7 177.833 177.833 178.059 -0.226 25790 8348 1 22 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.837 0.292 25790 8349 1 22 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.738 0.468 25790 8350 1 22 . 1 1 7 7 ILE H H 7 8.095 8.095 7.477 0.618 25790 8351 1 22 . 1 1 8 8 MET N N 8 117.603 117.603 119.250 -1.647 25790 8352 1 22 . 1 1 8 8 MET HA H 8 3.985 3.985 4.139 -0.154 25790 8353 1 22 . 1 1 8 8 MET C C 8 177.355 177.355 178.327 -0.972 25790 8354 1 22 . 1 1 8 8 MET CA C 8 59.932 59.932 59.572 0.360 25790 8355 1 22 . 1 1 8 8 MET CB C 8 32.721 32.721 32.281 0.440 25790 8356 1 22 . 1 1 8 8 MET H H 8 8.672 8.672 7.758 0.914 25790 8357 1 22 . 1 1 9 9 ALA N N 9 118.774 118.774 121.397 -2.623 25790 8358 1 22 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.002 0.044 25790 8359 1 22 . 1 1 9 9 ALA C C 9 180.546 180.546 179.268 1.278 25790 8360 1 22 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.148 0.237 25790 8361 1 22 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.895 0.003 25790 8362 1 22 . 1 1 9 9 ALA H H 9 7.795 7.795 8.255 -0.460 25790 8363 1 22 . 1 1 10 10 ALA N N 10 120.854 120.854 121.702 -0.848 25790 8364 1 22 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.026 0.179 25790 8365 1 22 . 1 1 10 10 ALA C C 10 181.200 181.200 179.656 1.544 25790 8366 1 22 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.986 0.026 25790 8367 1 22 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.229 1.032 25790 8368 1 22 . 1 1 10 10 ALA H H 10 7.438 7.438 7.604 -0.167 25790 8369 1 22 . 1 1 11 11 LEU N N 11 120.775 120.775 118.564 2.211 25790 8370 1 22 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.746 0.002 25790 8371 1 22 . 1 1 11 11 LEU C C 11 179.041 179.041 179.289 -0.248 25790 8372 1 22 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.861 0.485 25790 8373 1 22 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.308 -1.331 25790 8374 1 22 . 1 1 11 11 LEU H H 11 8.757 8.757 8.488 0.269 25790 8375 1 22 . 1 1 12 12 ASN N N 12 116.313 116.313 118.233 -1.920 25790 8376 1 22 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.502 0.062 25790 8377 1 22 . 1 1 12 12 ASN C C 12 178.900 178.900 177.824 1.076 25790 8378 1 22 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.796 -1.731 25790 8379 1 22 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.852 -0.860 25790 8380 1 22 . 1 1 12 12 ASN H H 12 8.850 8.850 8.571 0.279 25790 8381 1 22 . 1 1 13 13 SER N N 13 114.747 114.747 115.860 -1.113 25790 8382 1 22 . 1 1 13 13 SER HA H 13 4.370 4.370 4.175 0.195 25790 8383 1 22 . 1 1 13 13 SER C C 13 176.515 176.515 176.252 0.263 25790 8384 1 22 . 1 1 13 13 SER CA C 13 61.141 61.141 60.861 0.280 25790 8385 1 22 . 1 1 13 13 SER CB C 13 63.044 63.044 62.971 0.073 25790 8386 1 22 . 1 1 13 13 SER H H 13 7.672 7.672 7.948 -0.276 25790 8387 1 22 . 1 1 14 14 GLN N N 14 119.954 119.954 118.475 1.479 25790 8388 1 22 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.077 0.141 25790 8389 1 22 . 1 1 14 14 GLN C C 14 178.208 178.208 177.951 0.257 25790 8390 1 22 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.278 -0.529 25790 8391 1 22 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.157 -0.457 25790 8392 1 22 . 1 1 14 14 GLN H H 14 7.573 7.573 8.022 -0.449 25790 8393 1 22 . 1 1 15 15 THR N N 15 107.493 107.493 107.556 -0.063 25790 8394 1 22 . 1 1 15 15 THR HA H 15 3.899 3.899 4.198 -0.299 25790 8395 1 22 . 1 1 15 15 THR C C 15 174.683 174.683 175.190 -0.507 25790 8396 1 22 . 1 1 15 15 THR CA C 15 61.551 61.551 61.750 -0.199 25790 8397 1 22 . 1 1 15 15 THR CB C 15 69.226 69.226 69.291 -0.065 25790 8398 1 22 . 1 1 15 15 THR H H 15 7.741 7.741 7.900 -0.159 25790 8399 1 22 . 1 1 16 16 ALA N N 16 124.034 124.034 126.071 -2.037 25790 8400 1 22 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.944 0.191 25790 8401 1 22 . 1 1 16 16 ALA C C 16 179.899 179.899 178.769 1.130 25790 8402 1 22 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.595 0.612 25790 8403 1 22 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.985 0.739 25790 8404 1 22 . 1 1 16 16 ALA H H 16 6.873 6.873 7.481 -0.608 25790 8405 1 22 . 1 1 17 17 VAL N N 17 117.150 117.150 117.915 -0.765 25790 8406 1 22 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.768 -0.054 25790 8407 1 22 . 1 1 17 17 VAL C C 17 178.537 178.537 177.471 1.066 25790 8408 1 22 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.157 1.351 25790 8409 1 22 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.884 -0.191 25790 8410 1 22 . 1 1 17 17 VAL H H 17 8.162 8.162 8.466 -0.304 25790 8411 1 22 . 1 1 18 18 GLN N N 18 119.489 119.489 119.498 -0.009 25790 8412 1 22 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.026 0.031 25790 8413 1 22 . 1 1 18 18 GLN C C 18 180.429 180.429 178.599 1.830 25790 8414 1 22 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.206 0.493 25790 8415 1 22 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.088 1.098 25790 8416 1 22 . 1 1 18 18 GLN H H 18 8.451 8.451 8.252 0.199 25790 8417 1 22 . 1 1 19 19 PHE N N 19 117.940 117.940 118.267 -0.327 25790 8418 1 22 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.581 0.249 25790 8419 1 22 . 1 1 19 19 PHE C C 19 177.858 177.858 177.970 -0.112 25790 8420 1 22 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.647 -0.618 25790 8421 1 22 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.521 -2.616 25790 8422 1 22 . 1 1 19 19 PHE H H 19 8.924 8.924 8.293 0.631 25790 8423 1 22 . 1 1 20 20 GLN N N 20 120.297 120.297 121.131 -0.834 25790 8424 1 22 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.937 0.169 25790 8425 1 22 . 1 1 20 20 GLN C C 20 178.986 178.986 178.191 0.795 25790 8426 1 22 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.932 -0.369 25790 8427 1 22 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.447 -0.552 25790 8428 1 22 . 1 1 20 20 GLN H H 20 8.264 8.264 8.046 0.218 25790 8429 1 22 . 1 1 21 21 GLN N N 21 118.595 118.595 117.927 0.668 25790 8430 1 22 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.031 0.051 25790 8431 1 22 . 1 1 21 21 GLN C C 21 178.806 178.806 178.625 0.181 25790 8432 1 22 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.759 0.411 25790 8433 1 22 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.706 -0.510 25790 8434 1 22 . 1 1 21 21 GLN H H 21 8.527 8.527 7.768 0.759 25790 8435 1 22 . 1 1 22 22 TYR N N 22 119.594 119.594 120.593 -0.999 25790 8436 1 22 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.184 0.063 25790 8437 1 22 . 1 1 22 22 TYR C C 22 177.789 177.789 177.027 0.762 25790 8438 1 22 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.598 1.114 25790 8439 1 22 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.404 0.320 25790 8440 1 22 . 1 1 22 22 TYR H H 22 7.843 7.843 7.686 0.157 25790 8441 1 22 . 1 1 23 23 ALA N N 23 120.663 120.663 121.052 -0.389 25790 8442 1 22 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.677 0.180 25790 8443 1 22 . 1 1 23 23 ALA C C 23 179.319 179.319 179.038 0.281 25790 8444 1 22 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.789 0.800 25790 8445 1 22 . 1 1 23 23 ALA CB C 23 18.482 18.482 17.986 0.496 25790 8446 1 22 . 1 1 23 23 ALA H H 23 8.612 8.612 8.653 -0.041 25790 8447 1 22 . 1 1 24 24 ALA N N 24 119.002 119.002 119.606 -0.604 25790 8448 1 22 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.097 -0.159 25790 8449 1 22 . 1 1 24 24 ALA C C 24 178.987 178.987 179.102 -0.115 25790 8450 1 22 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.294 0.023 25790 8451 1 22 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.500 -0.609 25790 8452 1 22 . 1 1 24 24 ALA H H 24 8.168 8.168 8.202 -0.034 25790 8453 1 22 . 1 1 25 25 GLN N N 25 115.599 115.599 116.711 -1.112 25790 8454 1 22 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.048 -0.044 25790 8455 1 22 . 1 1 25 25 GLN C C 25 177.818 177.818 177.635 0.183 25790 8456 1 22 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.978 -0.524 25790 8457 1 22 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.714 -0.259 25790 8458 1 22 . 1 1 25 25 GLN H H 25 7.300 7.300 7.482 -0.182 25790 8459 1 22 . 1 1 26 26 GLN N N 26 116.989 116.989 117.053 -0.064 25790 8460 1 22 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.906 -0.202 25790 8461 1 22 . 1 1 26 26 GLN C C 26 175.979 175.979 175.801 0.178 25790 8462 1 22 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.210 -0.422 25790 8463 1 22 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.666 -0.586 25790 8464 1 22 . 1 1 26 26 GLN H H 26 7.401 7.401 7.191 0.210 25790 8465 1 22 . 1 1 27 27 TYR N N 27 114.712 114.712 117.544 -2.832 25790 8466 1 22 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.962 0.116 25790 8467 1 22 . 1 1 27 27 TYR C C 27 172.931 172.931 173.636 -0.705 25790 8468 1 22 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.319 0.848 25790 8469 1 22 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.324 1.337 25790 8470 1 22 . 1 1 27 27 TYR H H 27 7.675 7.675 8.234 -0.559 25790 8471 1 22 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.626 -0.264 25790 8472 1 22 . 1 1 28 28 PRO C C 28 179.333 179.333 178.020 1.313 25790 8473 1 22 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.783 0.611 25790 8474 1 22 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.235 -0.981 25790 8475 1 22 . 1 1 29 29 GLY N N 29 110.091 110.091 112.300 -2.209 25790 8476 1 22 . 1 1 29 29 GLY C C 29 173.218 173.218 174.360 -1.142 25790 8477 1 22 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.403 0.509 25790 8478 1 22 . 1 1 29 29 GLY H H 29 8.826 8.826 8.878 -0.052 25790 8479 1 22 . 1 1 30 30 ASN N N 30 118.603 118.603 121.147 -2.544 25790 8480 1 22 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.995 0.004 25790 8481 1 22 . 1 1 30 30 ASN C C 30 173.977 173.977 174.435 -0.458 25790 8482 1 22 . 1 1 30 30 ASN CA C 30 51.185 51.185 52.050 -0.865 25790 8483 1 22 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.587 -0.161 25790 8484 1 22 . 1 1 30 30 ASN H H 30 7.293 7.293 7.716 -0.423 25790 8485 1 22 . 1 1 31 31 TYR N N 31 125.240 125.240 125.882 -0.642 25790 8486 1 22 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.018 -0.120 25790 8487 1 22 . 1 1 31 31 TYR C C 31 177.343 177.343 176.755 0.588 25790 8488 1 22 . 1 1 31 31 TYR CA C 31 61.811 61.811 63.190 -1.379 25790 8489 1 22 . 1 1 31 31 TYR CB C 31 38.357 38.357 39.071 -0.714 25790 8490 1 22 . 1 1 31 31 TYR H H 31 8.509 8.509 8.178 0.331 25790 8491 1 22 . 1 1 32 32 GLU N N 32 118.993 118.993 116.801 2.192 25790 8492 1 22 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.794 0.106 25790 8493 1 22 . 1 1 32 32 GLU C C 32 179.549 179.549 178.523 1.026 25790 8494 1 22 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.537 0.575 25790 8495 1 22 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.055 1.113 25790 8496 1 22 . 1 1 32 32 GLU H H 32 8.714 8.714 8.773 -0.059 25790 8497 1 22 . 1 1 33 33 GLN N N 33 117.037 117.037 118.488 -1.451 25790 8498 1 22 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.937 -0.204 25790 8499 1 22 . 1 1 33 33 GLN C C 33 179.119 179.119 178.660 0.459 25790 8500 1 22 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.292 -0.590 25790 8501 1 22 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.556 0.070 25790 8502 1 22 . 1 1 33 33 GLN H H 33 7.536 7.536 8.259 -0.723 25790 8503 1 22 . 1 1 34 34 GLN N N 34 117.723 117.723 119.593 -1.870 25790 8504 1 22 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.115 -0.304 25790 8505 1 22 . 1 1 34 34 GLN C C 34 177.634 177.634 178.632 -0.998 25790 8506 1 22 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.509 0.656 25790 8507 1 22 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.453 -0.952 25790 8508 1 22 . 1 1 34 34 GLN H H 34 7.968 7.968 8.475 -0.507 25790 8509 1 22 . 1 1 35 35 GLN N N 35 115.293 115.293 118.611 -3.318 25790 8510 1 22 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.055 -0.264 25790 8511 1 22 . 1 1 35 35 GLN C C 35 178.757 178.757 178.579 0.178 25790 8512 1 22 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.172 0.438 25790 8513 1 22 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.208 -0.003 25790 8514 1 22 . 1 1 35 35 GLN H H 35 7.870 7.870 7.621 0.249 25790 8515 1 22 . 1 1 36 36 ILE N N 36 120.769 120.769 120.728 0.041 25790 8516 1 22 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.700 -0.136 25790 8517 1 22 . 1 1 36 36 ILE C C 36 178.273 178.273 178.277 -0.004 25790 8518 1 22 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.087 0.149 25790 8519 1 22 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.688 0.685 25790 8520 1 22 . 1 1 36 36 ILE H H 36 7.503 7.503 7.611 -0.108 25790 8521 1 22 . 1 1 37 37 LEU N N 37 121.056 121.056 121.857 -0.801 25790 8522 1 22 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.150 0.159 25790 8523 1 22 . 1 1 37 37 LEU C C 37 178.348 178.348 178.157 0.191 25790 8524 1 22 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.016 -0.282 25790 8525 1 22 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.904 -0.388 25790 8526 1 22 . 1 1 37 37 LEU H H 37 7.678 7.678 8.065 -0.387 25790 8527 1 22 . 1 1 38 38 ILE N N 38 119.334 119.334 119.518 -0.184 25790 8528 1 22 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.562 -0.221 25790 8529 1 22 . 1 1 38 38 ILE C C 38 177.371 177.371 177.881 -0.510 25790 8530 1 22 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.874 1.211 25790 8531 1 22 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.686 0.663 25790 8532 1 22 . 1 1 38 38 ILE H H 38 8.702 8.702 8.007 0.695 25790 8533 1 22 . 1 1 39 39 ARG N N 39 117.798 117.798 120.176 -2.378 25790 8534 1 22 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.169 0.046 25790 8535 1 22 . 1 1 39 39 ARG C C 39 179.555 179.555 178.752 0.803 25790 8536 1 22 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.810 -0.351 25790 8537 1 22 . 1 1 39 39 ARG CB C 39 29.752 29.752 30.101 -0.349 25790 8538 1 22 . 1 1 39 39 ARG H H 39 7.739 7.739 8.404 -0.665 25790 8539 1 22 . 1 1 40 40 GLN N N 40 119.432 119.432 118.721 0.711 25790 8540 1 22 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.056 0.081 25790 8541 1 22 . 1 1 40 40 GLN C C 40 179.522 179.522 178.781 0.741 25790 8542 1 22 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.951 0.309 25790 8543 1 22 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.719 -0.361 25790 8544 1 22 . 1 1 40 40 GLN H H 40 7.811 7.811 7.602 0.209 25790 8545 1 22 . 1 1 41 41 LEU N N 41 121.592 121.592 119.964 1.628 25790 8546 1 22 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.957 -0.270 25790 8547 1 22 . 1 1 41 41 LEU C C 41 178.974 178.974 179.504 -0.530 25790 8548 1 22 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.535 0.428 25790 8549 1 22 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.179 -1.327 25790 8550 1 22 . 1 1 41 41 LEU H H 41 8.648 8.648 8.188 0.460 25790 8551 1 22 . 1 1 42 42 GLN N N 42 119.054 119.054 118.605 0.449 25790 8552 1 22 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.207 0.337 25790 8553 1 22 . 1 1 42 42 GLN C C 42 180.176 180.176 178.877 1.299 25790 8554 1 22 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.549 -0.315 25790 8555 1 22 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.804 -0.884 25790 8556 1 22 . 1 1 42 42 GLN H H 42 8.641 8.641 8.565 0.076 25790 8557 1 22 . 1 1 43 43 GLU N N 43 121.517 121.517 120.045 1.472 25790 8558 1 22 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.023 0.213 25790 8559 1 22 . 1 1 43 43 GLU C C 43 179.721 179.721 178.926 0.795 25790 8560 1 22 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.297 0.370 25790 8561 1 22 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.452 -0.194 25790 8562 1 22 . 1 1 43 43 GLU H H 43 8.111 8.111 8.203 -0.092 25790 8563 1 22 . 1 1 44 44 GLN N N 44 119.240 119.240 119.009 0.231 25790 8564 1 22 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.103 0.014 25790 8565 1 22 . 1 1 44 44 GLN C C 44 179.012 179.012 178.861 0.151 25790 8566 1 22 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.797 0.352 25790 8567 1 22 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.908 -0.054 25790 8568 1 22 . 1 1 44 44 GLN H H 44 8.372 8.372 7.998 0.374 25790 8569 1 22 . 1 1 45 45 HIS N N 45 121.705 121.705 120.107 1.598 25790 8570 1 22 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.390 -0.110 25790 8571 1 22 . 1 1 45 45 HIS C C 45 176.395 176.395 176.911 -0.516 25790 8572 1 22 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.006 1.353 25790 8573 1 22 . 1 1 45 45 HIS CB C 45 32.325 32.325 29.845 2.480 25790 8574 1 22 . 1 1 45 45 HIS H H 45 9.472 9.472 8.624 0.848 25790 8575 1 22 . 1 1 46 46 TYR N N 46 119.039 119.039 120.273 -1.234 25790 8576 1 22 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.098 -0.249 25790 8577 1 22 . 1 1 46 46 TYR C C 46 176.664 176.664 177.741 -1.077 25790 8578 1 22 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.364 -0.112 25790 8579 1 22 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.324 -0.652 25790 8580 1 22 . 1 1 46 46 TYR H H 46 8.253 8.253 8.205 0.048 25790 8581 1 22 . 1 1 47 47 GLN N N 47 116.407 116.407 117.370 -0.963 25790 8582 1 22 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.919 -0.135 25790 8583 1 22 . 1 1 47 47 GLN C C 47 179.048 179.048 178.163 0.885 25790 8584 1 22 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.051 -0.102 25790 8585 1 22 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.327 -0.146 25790 8586 1 22 . 1 1 47 47 GLN H H 47 7.814 7.814 7.869 -0.055 25790 8587 1 22 . 1 1 48 48 GLN N N 48 119.803 119.803 119.659 0.144 25790 8588 1 22 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.990 -0.013 25790 8589 1 22 . 1 1 48 48 GLN C C 48 177.741 177.741 178.194 -0.453 25790 8590 1 22 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.662 -0.348 25790 8591 1 22 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.687 -0.359 25790 8592 1 22 . 1 1 48 48 GLN H H 48 8.645 8.645 7.582 1.063 25790 8593 1 22 . 1 1 49 49 TYR N N 49 121.342 121.342 120.956 0.386 25790 8594 1 22 . 1 1 49 49 TYR HA H 49 3.640 3.640 3.966 -0.326 25790 8595 1 22 . 1 1 49 49 TYR C C 49 176.021 176.021 177.597 -1.576 25790 8596 1 22 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.682 0.427 25790 8597 1 22 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.284 0.623 25790 8598 1 22 . 1 1 49 49 TYR H H 49 9.105 9.105 8.397 0.708 25790 8599 1 22 . 1 1 50 50 MET N N 50 115.522 115.522 118.340 -2.818 25790 8600 1 22 . 1 1 50 50 MET HA H 50 4.040 4.040 3.869 0.171 25790 8601 1 22 . 1 1 50 50 MET C C 50 179.841 179.841 178.221 1.620 25790 8602 1 22 . 1 1 50 50 MET CA C 50 56.623 56.623 58.699 -2.076 25790 8603 1 22 . 1 1 50 50 MET CB C 50 30.099 30.099 32.364 -2.265 25790 8604 1 22 . 1 1 50 50 MET H H 50 8.060 8.060 7.903 0.157 25790 8605 1 22 . 1 1 51 51 GLN N N 51 118.942 118.942 117.932 1.010 25790 8606 1 22 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.941 0.124 25790 8607 1 22 . 1 1 51 51 GLN C C 51 178.707 178.707 178.476 0.231 25790 8608 1 22 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.858 0.083 25790 8609 1 22 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.495 -0.006 25790 8610 1 22 . 1 1 51 51 GLN H H 51 7.830 7.830 7.621 0.209 25790 8611 1 22 . 1 1 52 52 GLN N N 52 119.210 119.210 120.425 -1.215 25790 8612 1 22 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.071 -0.014 25790 8613 1 22 . 1 1 52 52 GLN C C 52 178.738 178.738 178.234 0.504 25790 8614 1 22 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.185 0.564 25790 8615 1 22 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.238 0.165 25790 8616 1 22 . 1 1 52 52 GLN H H 52 8.187 8.187 8.152 0.035 25790 8617 1 22 . 1 1 53 53 LEU N N 53 121.233 121.233 119.963 1.270 25790 8618 1 22 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.850 -0.009 25790 8619 1 22 . 1 1 53 53 LEU C C 53 179.191 179.191 178.622 0.569 25790 8620 1 22 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.345 0.400 25790 8621 1 22 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.597 0.269 25790 8622 1 22 . 1 1 53 53 LEU H H 53 8.441 8.441 7.777 0.664 25790 8623 1 22 . 1 1 54 54 TYR N N 54 118.505 118.505 120.345 -1.840 25790 8624 1 22 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.060 0.258 25790 8625 1 22 . 1 1 54 54 TYR C C 54 177.535 177.535 177.127 0.408 25790 8626 1 22 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.297 -0.820 25790 8627 1 22 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.951 -0.165 25790 8628 1 22 . 1 1 54 54 TYR H H 54 7.819 7.819 7.753 0.066 25790 8629 1 22 . 1 1 55 55 GLN N N 55 117.299 117.299 118.302 -1.003 25790 8630 1 22 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.536 0.363 25790 8631 1 22 . 1 1 55 55 GLN C C 55 179.041 179.041 178.294 0.747 25790 8632 1 22 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.676 0.033 25790 8633 1 22 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.674 -0.459 25790 8634 1 22 . 1 1 55 55 GLN H H 55 7.735 7.735 7.633 0.102 25790 8635 1 22 . 1 1 56 56 VAL N N 56 120.879 120.879 120.825 0.054 25790 8636 1 22 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.557 0.235 25790 8637 1 22 . 1 1 56 56 VAL C C 56 178.262 178.262 177.909 0.353 25790 8638 1 22 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.674 -0.732 25790 8639 1 22 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.148 0.731 25790 8640 1 22 . 1 1 56 56 VAL H H 56 8.014 8.014 8.180 -0.166 25790 8641 1 22 . 1 1 57 57 GLN N N 57 120.513 120.513 119.369 1.144 25790 8642 1 22 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.953 0.107 25790 8643 1 22 . 1 1 57 57 GLN C C 57 178.772 178.772 178.815 -0.043 25790 8644 1 22 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.416 -0.800 25790 8645 1 22 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.564 -0.579 25790 8646 1 22 . 1 1 57 57 GLN H H 57 8.103 8.103 7.952 0.151 25790 8647 1 22 . 1 1 58 58 LEU N N 58 121.244 121.244 119.413 1.831 25790 8648 1 22 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.932 0.073 25790 8649 1 22 . 1 1 58 58 LEU C C 58 179.134 179.134 178.582 0.552 25790 8650 1 22 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.310 0.196 25790 8651 1 22 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.372 0.431 25790 8652 1 22 . 1 1 58 58 LEU H H 58 8.176 8.176 7.660 0.516 25790 8653 1 22 . 1 1 59 59 ALA N N 59 121.608 121.608 122.163 -0.555 25790 8654 1 22 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.922 0.243 25790 8655 1 22 . 1 1 59 59 ALA C C 59 180.497 180.497 179.682 0.815 25790 8656 1 22 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.974 -0.392 25790 8657 1 22 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.176 -0.123 25790 8658 1 22 . 1 1 59 59 ALA H H 59 7.833 7.833 7.956 -0.123 25790 8659 1 22 . 1 1 60 60 GLN N N 60 118.335 118.335 117.535 0.800 25790 8660 1 22 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.944 0.204 25790 8661 1 22 . 1 1 60 60 GLN C C 60 178.334 178.334 178.910 -0.576 25790 8662 1 22 . 1 1 60 60 GLN CA C 60 57.977 57.977 59.017 -1.040 25790 8663 1 22 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.497 -0.062 25790 8664 1 22 . 1 1 60 60 GLN H H 60 8.081 8.081 8.061 0.020 25790 8665 1 22 . 1 1 61 61 GLN N N 61 120.206 120.206 119.066 1.140 25790 8666 1 22 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.053 0.109 25790 8667 1 22 . 1 1 61 61 GLN C C 61 178.002 178.002 178.636 -0.634 25790 8668 1 22 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.844 -0.939 25790 8669 1 22 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.407 0.172 25790 8670 1 22 . 1 1 61 61 GLN H H 61 8.111 8.111 7.823 0.288 25790 8671 1 22 . 1 1 62 62 GLN N N 62 118.980 118.980 119.165 -0.185 25790 8672 1 22 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.085 0.044 25790 8673 1 22 . 1 1 62 62 GLN C C 62 177.624 177.624 178.305 -0.681 25790 8674 1 22 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.481 -0.845 25790 8675 1 22 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.566 0.070 25790 8676 1 22 . 1 1 62 62 GLN H H 62 8.203 8.203 8.235 -0.032 25790 8677 1 22 . 1 1 63 63 ALA N N 63 122.712 122.712 122.318 0.394 25790 8678 1 22 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.095 0.111 25790 8679 1 22 . 1 1 63 63 ALA C C 63 178.922 178.922 178.649 0.273 25790 8680 1 22 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.719 -0.823 25790 8681 1 22 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.200 0.259 25790 8682 1 22 . 1 1 63 63 ALA H H 63 8.004 8.004 8.268 -0.264 25790 8683 1 22 . 1 1 64 64 ALA N N 64 120.813 120.813 120.146 0.667 25790 8684 1 22 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.188 0.044 25790 8685 1 22 . 1 1 64 64 ALA C C 64 178.732 178.732 178.885 -0.153 25790 8686 1 22 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.732 -0.216 25790 8687 1 22 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.295 -0.665 25790 8688 1 22 . 1 1 64 64 ALA H H 64 7.837 7.837 7.593 0.244 25790 8689 1 22 . 1 1 65 65 LEU N N 65 119.196 119.196 117.980 1.216 25790 8690 1 22 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.152 0.105 25790 8691 1 22 . 1 1 65 65 LEU C C 65 178.038 178.038 177.562 0.476 25790 8692 1 22 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.807 0.015 25790 8693 1 22 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.670 -0.406 25790 8694 1 22 . 1 1 65 65 LEU H H 65 7.765 7.765 7.633 0.132 25790 8695 1 22 . 1 1 66 66 GLN N N 66 119.365 119.365 114.525 4.840 25790 8696 1 22 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.971 0.304 25790 8697 1 22 . 1 1 66 66 GLN C C 66 176.120 176.120 175.309 0.811 25790 8698 1 22 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.931 -0.864 25790 8699 1 22 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.526 2.606 25790 8700 1 22 . 1 1 66 66 GLN H H 66 7.967 7.967 7.951 0.016 25790 8701 1 22 . 1 1 67 67 LYS N N 67 121.521 121.521 118.489 3.032 25790 8702 1 22 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.402 -0.093 25790 8703 1 22 . 1 1 67 67 LYS C C 67 176.437 176.437 177.206 -0.769 25790 8704 1 22 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.965 0.424 25790 8705 1 22 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.738 0.303 25790 8706 1 22 . 1 1 67 67 LYS H H 67 8.053 8.053 8.335 -0.282 25790 8707 1 22 . 1 1 68 68 GLN N N 68 121.970 121.970 118.271 3.699 25790 8708 1 22 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.307 0.032 25790 8709 1 22 . 1 1 68 68 GLN C C 68 175.120 175.120 176.251 -1.131 25790 8710 1 22 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.507 0.493 25790 8711 1 22 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.373 3.125 25790 8712 1 22 . 1 1 68 68 GLN H H 68 8.314 8.314 8.258 0.056 25790 8713 1 23 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.610 -0.163 25790 8714 1 23 . 1 1 2 2 GLN C C 2 176.144 176.144 175.184 0.960 25790 8715 1 23 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.505 0.704 25790 8716 1 23 . 1 1 2 2 GLN CB C 2 29.459 29.459 30.777 -1.318 25790 8717 1 23 . 1 1 3 3 GLN N N 3 122.052 122.052 118.100 3.952 25790 8718 1 23 . 1 1 3 3 GLN HA H 3 4.323 4.323 3.993 0.330 25790 8719 1 23 . 1 1 3 3 GLN C C 3 176.988 176.988 176.664 0.324 25790 8720 1 23 . 1 1 3 3 GLN CA C 3 57.403 57.403 56.583 0.820 25790 8721 1 23 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.631 1.608 25790 8722 1 23 . 1 1 3 3 GLN H H 3 8.780 8.780 8.716 0.064 25790 8723 1 23 . 1 1 4 4 LYS N N 4 121.855 121.855 117.391 4.464 25790 8724 1 23 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.071 -0.067 25790 8725 1 23 . 1 1 4 4 LYS C C 4 177.638 177.638 178.599 -0.961 25790 8726 1 23 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.516 0.723 25790 8727 1 23 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.401 0.298 25790 8728 1 23 . 1 1 4 4 LYS H H 4 8.528 8.528 8.516 0.012 25790 8729 1 23 . 1 1 5 5 GLN N N 5 116.397 116.397 117.383 -0.986 25790 8730 1 23 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.900 0.041 25790 8731 1 23 . 1 1 5 5 GLN C C 5 178.761 178.761 178.089 0.672 25790 8732 1 23 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.947 0.402 25790 8733 1 23 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.997 -0.047 25790 8734 1 23 . 1 1 5 5 GLN H H 5 8.223 8.223 8.426 -0.203 25790 8735 1 23 . 1 1 6 6 GLN N N 6 119.262 119.262 118.731 0.531 25790 8736 1 23 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.070 0.058 25790 8737 1 23 . 1 1 6 6 GLN C C 6 179.018 179.018 178.493 0.525 25790 8738 1 23 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.839 0.250 25790 8739 1 23 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.013 0.697 25790 8740 1 23 . 1 1 6 6 GLN H H 6 7.848 7.848 7.702 0.146 25790 8741 1 23 . 1 1 7 7 ILE N N 7 121.296 121.296 120.153 1.143 25790 8742 1 23 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.711 -0.128 25790 8743 1 23 . 1 1 7 7 ILE C C 7 177.833 177.833 177.857 -0.024 25790 8744 1 23 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.586 0.543 25790 8745 1 23 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.734 0.472 25790 8746 1 23 . 1 1 7 7 ILE H H 7 8.095 8.095 7.221 0.874 25790 8747 1 23 . 1 1 8 8 MET N N 8 117.603 117.603 118.753 -1.150 25790 8748 1 23 . 1 1 8 8 MET HA H 8 3.985 3.985 3.835 0.150 25790 8749 1 23 . 1 1 8 8 MET C C 8 177.355 177.355 178.427 -1.072 25790 8750 1 23 . 1 1 8 8 MET CA C 8 59.932 59.932 59.398 0.534 25790 8751 1 23 . 1 1 8 8 MET CB C 8 32.721 32.721 31.998 0.723 25790 8752 1 23 . 1 1 8 8 MET H H 8 8.672 8.672 7.303 1.369 25790 8753 1 23 . 1 1 9 9 ALA N N 9 118.774 118.774 121.270 -2.496 25790 8754 1 23 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.990 0.056 25790 8755 1 23 . 1 1 9 9 ALA C C 9 180.546 180.546 179.032 1.514 25790 8756 1 23 . 1 1 9 9 ALA CA C 9 55.385 55.385 54.952 0.433 25790 8757 1 23 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.980 -0.082 25790 8758 1 23 . 1 1 9 9 ALA H H 9 7.795 7.795 8.142 -0.347 25790 8759 1 23 . 1 1 10 10 ALA N N 10 120.854 120.854 122.098 -1.244 25790 8760 1 23 . 1 1 10 10 ALA HA H 10 4.205 4.205 3.966 0.239 25790 8761 1 23 . 1 1 10 10 ALA C C 10 181.200 181.200 179.593 1.607 25790 8762 1 23 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.872 0.140 25790 8763 1 23 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.367 0.894 25790 8764 1 23 . 1 1 10 10 ALA H H 10 7.438 7.438 7.481 -0.043 25790 8765 1 23 . 1 1 11 11 LEU N N 11 120.775 120.775 118.293 2.482 25790 8766 1 23 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.759 -0.011 25790 8767 1 23 . 1 1 11 11 LEU C C 11 179.041 179.041 179.225 -0.184 25790 8768 1 23 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.963 0.383 25790 8769 1 23 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.446 -1.469 25790 8770 1 23 . 1 1 11 11 LEU H H 11 8.757 8.757 8.156 0.601 25790 8771 1 23 . 1 1 12 12 ASN N N 12 116.313 116.313 118.328 -2.015 25790 8772 1 23 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.460 0.104 25790 8773 1 23 . 1 1 12 12 ASN C C 12 178.900 178.900 177.596 1.304 25790 8774 1 23 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.821 -1.756 25790 8775 1 23 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.682 -1.689 25790 8776 1 23 . 1 1 12 12 ASN H H 12 8.850 8.850 8.558 0.292 25790 8777 1 23 . 1 1 13 13 SER N N 13 114.747 114.747 115.698 -0.951 25790 8778 1 23 . 1 1 13 13 SER HA H 13 4.370 4.370 4.153 0.217 25790 8779 1 23 . 1 1 13 13 SER C C 13 176.515 176.515 175.787 0.728 25790 8780 1 23 . 1 1 13 13 SER CA C 13 61.141 61.141 61.651 -0.510 25790 8781 1 23 . 1 1 13 13 SER CB C 13 63.044 63.044 62.944 0.099 25790 8782 1 23 . 1 1 13 13 SER H H 13 7.672 7.672 7.947 -0.275 25790 8783 1 23 . 1 1 14 14 GLN N N 14 119.954 119.954 117.399 2.555 25790 8784 1 23 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.187 0.031 25790 8785 1 23 . 1 1 14 14 GLN C C 14 178.208 178.208 177.162 1.046 25790 8786 1 23 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.494 0.255 25790 8787 1 23 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.086 -0.386 25790 8788 1 23 . 1 1 14 14 GLN H H 14 7.573 7.573 7.678 -0.105 25790 8789 1 23 . 1 1 15 15 THR N N 15 107.493 107.493 106.154 1.339 25790 8790 1 23 . 1 1 15 15 THR HA H 15 3.899 3.899 4.368 -0.469 25790 8791 1 23 . 1 1 15 15 THR C C 15 174.683 174.683 174.661 0.022 25790 8792 1 23 . 1 1 15 15 THR CA C 15 61.551 61.551 60.568 0.983 25790 8793 1 23 . 1 1 15 15 THR CB C 15 69.226 69.226 69.572 -0.346 25790 8794 1 23 . 1 1 15 15 THR H H 15 7.741 7.741 7.352 0.389 25790 8795 1 23 . 1 1 16 16 ALA N N 16 124.034 124.034 126.348 -2.314 25790 8796 1 23 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.009 0.126 25790 8797 1 23 . 1 1 16 16 ALA C C 16 179.899 179.899 178.634 1.265 25790 8798 1 23 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.695 0.512 25790 8799 1 23 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.000 0.724 25790 8800 1 23 . 1 1 16 16 ALA H H 16 6.873 6.873 7.769 -0.896 25790 8801 1 23 . 1 1 17 17 VAL N N 17 117.150 117.150 117.871 -0.721 25790 8802 1 23 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.777 -0.063 25790 8803 1 23 . 1 1 17 17 VAL C C 17 178.537 178.537 177.084 1.453 25790 8804 1 23 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.865 1.643 25790 8805 1 23 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.607 0.086 25790 8806 1 23 . 1 1 17 17 VAL H H 17 8.162 8.162 8.260 -0.098 25790 8807 1 23 . 1 1 18 18 GLN N N 18 119.489 119.489 120.507 -1.018 25790 8808 1 23 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.057 0.000 25790 8809 1 23 . 1 1 18 18 GLN C C 18 180.429 180.429 178.537 1.892 25790 8810 1 23 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.211 0.488 25790 8811 1 23 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.141 1.045 25790 8812 1 23 . 1 1 18 18 GLN H H 18 8.451 8.451 8.092 0.359 25790 8813 1 23 . 1 1 19 19 PHE N N 19 117.940 117.940 118.770 -0.830 25790 8814 1 23 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.510 0.320 25790 8815 1 23 . 1 1 19 19 PHE C C 19 177.858 177.858 178.155 -0.297 25790 8816 1 23 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.716 -1.687 25790 8817 1 23 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.229 -2.324 25790 8818 1 23 . 1 1 19 19 PHE H H 19 8.924 8.924 8.879 0.045 25790 8819 1 23 . 1 1 20 20 GLN N N 20 120.297 120.297 120.586 -0.289 25790 8820 1 23 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.062 0.044 25790 8821 1 23 . 1 1 20 20 GLN C C 20 178.986 178.986 178.482 0.504 25790 8822 1 23 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.475 0.088 25790 8823 1 23 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.374 -0.479 25790 8824 1 23 . 1 1 20 20 GLN H H 20 8.264 8.264 7.795 0.469 25790 8825 1 23 . 1 1 21 21 GLN N N 21 118.595 118.595 118.566 0.029 25790 8826 1 23 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.047 0.035 25790 8827 1 23 . 1 1 21 21 GLN C C 21 178.806 178.806 178.570 0.236 25790 8828 1 23 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.090 0.080 25790 8829 1 23 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.831 -0.635 25790 8830 1 23 . 1 1 21 21 GLN H H 21 8.527 8.527 8.246 0.281 25790 8831 1 23 . 1 1 22 22 TYR N N 22 119.594 119.594 121.301 -1.707 25790 8832 1 23 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.065 0.182 25790 8833 1 23 . 1 1 22 22 TYR C C 22 177.789 177.789 176.981 0.808 25790 8834 1 23 . 1 1 22 22 TYR CA C 22 61.712 61.712 61.233 0.479 25790 8835 1 23 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.521 0.203 25790 8836 1 23 . 1 1 22 22 TYR H H 22 7.843 7.843 8.204 -0.361 25790 8837 1 23 . 1 1 23 23 ALA N N 23 120.663 120.663 120.355 0.308 25790 8838 1 23 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.892 -0.035 25790 8839 1 23 . 1 1 23 23 ALA C C 23 179.319 179.319 179.136 0.183 25790 8840 1 23 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.671 0.918 25790 8841 1 23 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.098 0.384 25790 8842 1 23 . 1 1 23 23 ALA H H 23 8.612 8.612 8.537 0.075 25790 8843 1 23 . 1 1 24 24 ALA N N 24 119.002 119.002 120.132 -1.130 25790 8844 1 23 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.097 -0.159 25790 8845 1 23 . 1 1 24 24 ALA C C 24 178.987 178.987 178.755 0.232 25790 8846 1 23 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.376 -0.059 25790 8847 1 23 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.481 -0.590 25790 8848 1 23 . 1 1 24 24 ALA H H 24 8.168 8.168 8.033 0.135 25790 8849 1 23 . 1 1 25 25 GLN N N 25 115.599 115.599 115.941 -0.342 25790 8850 1 23 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.047 -0.043 25790 8851 1 23 . 1 1 25 25 GLN C C 25 177.818 177.818 177.181 0.637 25790 8852 1 23 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.896 -0.442 25790 8853 1 23 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.608 -0.152 25790 8854 1 23 . 1 1 25 25 GLN H H 25 7.300 7.300 7.526 -0.226 25790 8855 1 23 . 1 1 26 26 GLN N N 26 116.989 116.989 116.918 0.071 25790 8856 1 23 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.980 -0.276 25790 8857 1 23 . 1 1 26 26 GLN C C 26 175.979 175.979 176.193 -0.214 25790 8858 1 23 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.836 -0.048 25790 8859 1 23 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.504 -1.424 25790 8860 1 23 . 1 1 26 26 GLN H H 26 7.401 7.401 7.299 0.102 25790 8861 1 23 . 1 1 27 27 TYR N N 27 114.712 114.712 118.672 -3.960 25790 8862 1 23 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.951 0.127 25790 8863 1 23 . 1 1 27 27 TYR C C 27 172.931 172.931 173.795 -0.864 25790 8864 1 23 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.248 0.918 25790 8865 1 23 . 1 1 27 27 TYR CB C 27 39.660 39.660 37.995 1.665 25790 8866 1 23 . 1 1 27 27 TYR H H 27 7.675 7.675 8.255 -0.580 25790 8867 1 23 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.431 -0.069 25790 8868 1 23 . 1 1 28 28 PRO C C 28 179.333 179.333 177.853 1.480 25790 8869 1 23 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.172 0.222 25790 8870 1 23 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.442 -1.188 25790 8871 1 23 . 1 1 29 29 GLY N N 29 110.091 110.091 113.181 -3.090 25790 8872 1 23 . 1 1 29 29 GLY C C 29 173.218 173.218 174.736 -1.518 25790 8873 1 23 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.238 0.674 25790 8874 1 23 . 1 1 29 29 GLY H H 29 8.826 8.826 8.710 0.116 25790 8875 1 23 . 1 1 30 30 ASN N N 30 118.603 118.603 122.043 -3.440 25790 8876 1 23 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.979 0.020 25790 8877 1 23 . 1 1 30 30 ASN C C 30 173.977 173.977 174.666 -0.689 25790 8878 1 23 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.722 -0.537 25790 8879 1 23 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.727 0.699 25790 8880 1 23 . 1 1 30 30 ASN H H 30 7.293 7.293 7.837 -0.544 25790 8881 1 23 . 1 1 31 31 TYR N N 31 125.240 125.240 126.118 -0.878 25790 8882 1 23 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.329 -0.431 25790 8883 1 23 . 1 1 31 31 TYR C C 31 177.343 177.343 176.734 0.609 25790 8884 1 23 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.147 -0.336 25790 8885 1 23 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.933 -0.576 25790 8886 1 23 . 1 1 31 31 TYR H H 31 8.509 8.509 7.936 0.573 25790 8887 1 23 . 1 1 32 32 GLU N N 32 118.993 118.993 117.185 1.808 25790 8888 1 23 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.779 0.121 25790 8889 1 23 . 1 1 32 32 GLU C C 32 179.549 179.549 178.820 0.729 25790 8890 1 23 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.392 0.720 25790 8891 1 23 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.173 0.995 25790 8892 1 23 . 1 1 32 32 GLU H H 32 8.714 8.714 8.818 -0.104 25790 8893 1 23 . 1 1 33 33 GLN N N 33 117.037 117.037 118.541 -1.504 25790 8894 1 23 . 1 1 33 33 GLN HA H 33 3.733 3.733 4.022 -0.289 25790 8895 1 23 . 1 1 33 33 GLN C C 33 179.119 179.119 178.794 0.325 25790 8896 1 23 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.107 -0.405 25790 8897 1 23 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.505 0.121 25790 8898 1 23 . 1 1 33 33 GLN H H 33 7.536 7.536 7.762 -0.226 25790 8899 1 23 . 1 1 34 34 GLN N N 34 117.723 117.723 119.788 -2.065 25790 8900 1 23 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.137 -0.326 25790 8901 1 23 . 1 1 34 34 GLN C C 34 177.634 177.634 178.620 -0.986 25790 8902 1 23 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.519 0.646 25790 8903 1 23 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.458 -0.957 25790 8904 1 23 . 1 1 34 34 GLN H H 34 7.968 7.968 8.419 -0.451 25790 8905 1 23 . 1 1 35 35 GLN N N 35 115.293 115.293 118.603 -3.310 25790 8906 1 23 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.059 -0.268 25790 8907 1 23 . 1 1 35 35 GLN C C 35 178.757 178.757 178.589 0.168 25790 8908 1 23 . 1 1 35 35 GLN CA C 35 58.610 58.610 57.986 0.624 25790 8909 1 23 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.247 -0.042 25790 8910 1 23 . 1 1 35 35 GLN H H 35 7.870 7.870 7.700 0.170 25790 8911 1 23 . 1 1 36 36 ILE N N 36 120.769 120.769 121.062 -0.293 25790 8912 1 23 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.677 -0.113 25790 8913 1 23 . 1 1 36 36 ILE C C 36 178.273 178.273 178.106 0.167 25790 8914 1 23 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.191 0.045 25790 8915 1 23 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.782 0.591 25790 8916 1 23 . 1 1 36 36 ILE H H 36 7.503 7.503 7.638 -0.135 25790 8917 1 23 . 1 1 37 37 LEU N N 37 121.056 121.056 121.647 -0.591 25790 8918 1 23 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.136 0.173 25790 8919 1 23 . 1 1 37 37 LEU C C 37 178.348 178.348 178.386 -0.038 25790 8920 1 23 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.150 -0.416 25790 8921 1 23 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.977 -0.461 25790 8922 1 23 . 1 1 37 37 LEU H H 37 7.678 7.678 8.123 -0.445 25790 8923 1 23 . 1 1 38 38 ILE N N 38 119.334 119.334 119.259 0.075 25790 8924 1 23 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.511 -0.170 25790 8925 1 23 . 1 1 38 38 ILE C C 38 177.371 177.371 177.732 -0.361 25790 8926 1 23 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.469 1.616 25790 8927 1 23 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.467 0.882 25790 8928 1 23 . 1 1 38 38 ILE H H 38 8.702 8.702 7.766 0.936 25790 8929 1 23 . 1 1 39 39 ARG N N 39 117.798 117.798 119.833 -2.035 25790 8930 1 23 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.894 0.321 25790 8931 1 23 . 1 1 39 39 ARG C C 39 179.555 179.555 178.479 1.076 25790 8932 1 23 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.776 -0.317 25790 8933 1 23 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.643 0.109 25790 8934 1 23 . 1 1 39 39 ARG H H 39 7.739 7.739 7.914 -0.175 25790 8935 1 23 . 1 1 40 40 GLN N N 40 119.432 119.432 119.063 0.369 25790 8936 1 23 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.132 0.005 25790 8937 1 23 . 1 1 40 40 GLN C C 40 179.522 179.522 178.386 1.136 25790 8938 1 23 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.924 0.336 25790 8939 1 23 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.685 -0.327 25790 8940 1 23 . 1 1 40 40 GLN H H 40 7.811 7.811 7.502 0.309 25790 8941 1 23 . 1 1 41 41 LEU N N 41 121.592 121.592 120.337 1.255 25790 8942 1 23 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.722 -0.035 25790 8943 1 23 . 1 1 41 41 LEU C C 41 178.974 178.974 179.200 -0.226 25790 8944 1 23 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.730 0.233 25790 8945 1 23 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.217 -1.365 25790 8946 1 23 . 1 1 41 41 LEU H H 41 8.648 8.648 8.216 0.432 25790 8947 1 23 . 1 1 42 42 GLN N N 42 119.054 119.054 117.467 1.587 25790 8948 1 23 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.186 0.358 25790 8949 1 23 . 1 1 42 42 GLN C C 42 180.176 180.176 178.675 1.501 25790 8950 1 23 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.351 -0.117 25790 8951 1 23 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.631 -0.711 25790 8952 1 23 . 1 1 42 42 GLN H H 42 8.641 8.641 8.569 0.072 25790 8953 1 23 . 1 1 43 43 GLU N N 43 121.517 121.517 120.452 1.065 25790 8954 1 23 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.105 0.131 25790 8955 1 23 . 1 1 43 43 GLU C C 43 179.721 179.721 178.637 1.084 25790 8956 1 23 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.172 0.495 25790 8957 1 23 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.508 -0.250 25790 8958 1 23 . 1 1 43 43 GLU H H 43 8.111 8.111 7.677 0.434 25790 8959 1 23 . 1 1 44 44 GLN N N 44 119.240 119.240 118.579 0.661 25790 8960 1 23 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.022 0.094 25790 8961 1 23 . 1 1 44 44 GLN C C 44 179.012 179.012 178.512 0.500 25790 8962 1 23 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.933 0.216 25790 8963 1 23 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.872 -0.018 25790 8964 1 23 . 1 1 44 44 GLN H H 44 8.372 8.372 8.193 0.179 25790 8965 1 23 . 1 1 45 45 HIS N N 45 121.705 121.705 119.421 2.284 25790 8966 1 23 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.344 -0.064 25790 8967 1 23 . 1 1 45 45 HIS C C 45 176.395 176.395 176.959 -0.564 25790 8968 1 23 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.428 0.931 25790 8969 1 23 . 1 1 45 45 HIS CB C 45 32.325 32.325 29.937 2.388 25790 8970 1 23 . 1 1 45 45 HIS H H 45 9.472 9.472 8.301 1.171 25790 8971 1 23 . 1 1 46 46 TYR N N 46 119.039 119.039 120.508 -1.469 25790 8972 1 23 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.107 -0.258 25790 8973 1 23 . 1 1 46 46 TYR C C 46 176.664 176.664 177.746 -1.082 25790 8974 1 23 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.332 0.919 25790 8975 1 23 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.220 -0.548 25790 8976 1 23 . 1 1 46 46 TYR H H 46 8.253 8.253 7.821 0.432 25790 8977 1 23 . 1 1 47 47 GLN N N 47 116.407 116.407 117.500 -1.093 25790 8978 1 23 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.815 -0.031 25790 8979 1 23 . 1 1 47 47 GLN C C 47 179.048 179.048 178.349 0.699 25790 8980 1 23 . 1 1 47 47 GLN CA C 47 58.949 58.949 58.440 0.509 25790 8981 1 23 . 1 1 47 47 GLN CB C 47 28.181 28.181 27.638 0.543 25790 8982 1 23 . 1 1 47 47 GLN H H 47 7.814 7.814 7.798 0.016 25790 8983 1 23 . 1 1 48 48 GLN N N 48 119.803 119.803 120.862 -1.059 25790 8984 1 23 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.971 0.006 25790 8985 1 23 . 1 1 48 48 GLN C C 48 177.741 177.741 178.052 -0.311 25790 8986 1 23 . 1 1 48 48 GLN CA C 48 58.314 58.314 59.016 -0.702 25790 8987 1 23 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.590 -0.262 25790 8988 1 23 . 1 1 48 48 GLN H H 48 8.645 8.645 7.656 0.989 25790 8989 1 23 . 1 1 49 49 TYR N N 49 121.342 121.342 120.591 0.751 25790 8990 1 23 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.002 -0.362 25790 8991 1 23 . 1 1 49 49 TYR C C 49 176.021 176.021 177.760 -1.739 25790 8992 1 23 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.637 0.472 25790 8993 1 23 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.281 0.626 25790 8994 1 23 . 1 1 49 49 TYR H H 49 9.105 9.105 8.261 0.844 25790 8995 1 23 . 1 1 50 50 MET N N 50 115.522 115.522 118.233 -2.711 25790 8996 1 23 . 1 1 50 50 MET HA H 50 4.040 4.040 3.875 0.165 25790 8997 1 23 . 1 1 50 50 MET C C 50 179.841 179.841 177.876 1.965 25790 8998 1 23 . 1 1 50 50 MET CA C 50 56.623 56.623 57.927 -1.304 25790 8999 1 23 . 1 1 50 50 MET CB C 50 30.099 30.099 32.292 -2.193 25790 9000 1 23 . 1 1 50 50 MET H H 50 8.060 8.060 7.937 0.123 25790 9001 1 23 . 1 1 51 51 GLN N N 51 118.942 118.942 119.367 -0.425 25790 9002 1 23 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.843 0.222 25790 9003 1 23 . 1 1 51 51 GLN C C 51 178.707 178.707 178.142 0.565 25790 9004 1 23 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.499 -0.558 25790 9005 1 23 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.506 -0.017 25790 9006 1 23 . 1 1 51 51 GLN H H 51 7.830 7.830 8.214 -0.384 25790 9007 1 23 . 1 1 52 52 GLN N N 52 119.210 119.210 119.529 -0.319 25790 9008 1 23 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.055 0.002 25790 9009 1 23 . 1 1 52 52 GLN C C 52 178.738 178.738 178.581 0.157 25790 9010 1 23 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.737 0.012 25790 9011 1 23 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.595 -0.192 25790 9012 1 23 . 1 1 52 52 GLN H H 52 8.187 8.187 7.995 0.192 25790 9013 1 23 . 1 1 53 53 LEU N N 53 121.233 121.233 119.865 1.368 25790 9014 1 23 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.824 0.017 25790 9015 1 23 . 1 1 53 53 LEU C C 53 179.191 179.191 178.632 0.559 25790 9016 1 23 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.535 0.210 25790 9017 1 23 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.692 0.174 25790 9018 1 23 . 1 1 53 53 LEU H H 53 8.441 8.441 7.568 0.873 25790 9019 1 23 . 1 1 54 54 TYR N N 54 118.505 118.505 120.011 -1.506 25790 9020 1 23 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.904 0.414 25790 9021 1 23 . 1 1 54 54 TYR C C 54 177.535 177.535 177.462 0.073 25790 9022 1 23 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.815 -1.337 25790 9023 1 23 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.127 -0.341 25790 9024 1 23 . 1 1 54 54 TYR H H 54 7.819 7.819 8.330 -0.511 25790 9025 1 23 . 1 1 55 55 GLN N N 55 117.299 117.299 117.966 -0.667 25790 9026 1 23 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.677 0.222 25790 9027 1 23 . 1 1 55 55 GLN C C 55 179.041 179.041 178.454 0.587 25790 9028 1 23 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.700 0.009 25790 9029 1 23 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.658 -0.443 25790 9030 1 23 . 1 1 55 55 GLN H H 55 7.735 7.735 7.862 -0.127 25790 9031 1 23 . 1 1 56 56 VAL N N 56 120.879 120.879 120.847 0.032 25790 9032 1 23 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.645 0.147 25790 9033 1 23 . 1 1 56 56 VAL C C 56 178.262 178.262 178.016 0.246 25790 9034 1 23 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.246 -0.304 25790 9035 1 23 . 1 1 56 56 VAL CB C 56 31.879 31.879 30.844 1.035 25790 9036 1 23 . 1 1 56 56 VAL H H 56 8.014 8.014 7.730 0.284 25790 9037 1 23 . 1 1 57 57 GLN N N 57 120.513 120.513 119.211 1.302 25790 9038 1 23 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.976 0.084 25790 9039 1 23 . 1 1 57 57 GLN C C 57 178.772 178.772 179.015 -0.243 25790 9040 1 23 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.357 -0.741 25790 9041 1 23 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.527 -0.542 25790 9042 1 23 . 1 1 57 57 GLN H H 57 8.103 8.103 8.029 0.074 25790 9043 1 23 . 1 1 58 58 LEU N N 58 121.244 121.244 119.427 1.817 25790 9044 1 23 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.877 0.128 25790 9045 1 23 . 1 1 58 58 LEU C C 58 179.134 179.134 178.609 0.525 25790 9046 1 23 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.378 0.128 25790 9047 1 23 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.284 0.519 25790 9048 1 23 . 1 1 58 58 LEU H H 58 8.176 8.176 7.785 0.391 25790 9049 1 23 . 1 1 59 59 ALA N N 59 121.608 121.608 121.642 -0.034 25790 9050 1 23 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.856 0.309 25790 9051 1 23 . 1 1 59 59 ALA C C 59 180.497 180.497 179.880 0.617 25790 9052 1 23 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.110 -0.528 25790 9053 1 23 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.012 0.041 25790 9054 1 23 . 1 1 59 59 ALA H H 59 7.833 7.833 8.088 -0.255 25790 9055 1 23 . 1 1 60 60 GLN N N 60 118.335 118.335 117.610 0.725 25790 9056 1 23 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.906 0.242 25790 9057 1 23 . 1 1 60 60 GLN C C 60 178.334 178.334 178.674 -0.340 25790 9058 1 23 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.958 -0.980 25790 9059 1 23 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.825 -0.390 25790 9060 1 23 . 1 1 60 60 GLN H H 60 8.081 8.081 8.303 -0.222 25790 9061 1 23 . 1 1 61 61 GLN N N 61 120.206 120.206 118.837 1.369 25790 9062 1 23 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.964 0.198 25790 9063 1 23 . 1 1 61 61 GLN C C 61 178.002 178.002 178.332 -0.330 25790 9064 1 23 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.806 -0.901 25790 9065 1 23 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.352 0.227 25790 9066 1 23 . 1 1 61 61 GLN H H 61 8.111 8.111 7.948 0.163 25790 9067 1 23 . 1 1 62 62 GLN N N 62 118.980 118.980 118.855 0.125 25790 9068 1 23 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.099 0.030 25790 9069 1 23 . 1 1 62 62 GLN C C 62 177.624 177.624 178.307 -0.683 25790 9070 1 23 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.183 -0.547 25790 9071 1 23 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.091 0.545 25790 9072 1 23 . 1 1 62 62 GLN H H 62 8.203 8.203 8.151 0.052 25790 9073 1 23 . 1 1 63 63 ALA N N 63 122.712 122.712 122.986 -0.274 25790 9074 1 23 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.306 -0.100 25790 9075 1 23 . 1 1 63 63 ALA C C 63 178.922 178.922 178.359 0.563 25790 9076 1 23 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.335 -0.439 25790 9077 1 23 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.413 0.046 25790 9078 1 23 . 1 1 63 63 ALA H H 63 8.004 8.004 7.724 0.280 25790 9079 1 23 . 1 1 64 64 ALA N N 64 120.813 120.813 120.660 0.153 25790 9080 1 23 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.200 0.032 25790 9081 1 23 . 1 1 64 64 ALA C C 64 178.732 178.732 178.752 -0.020 25790 9082 1 23 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.684 -0.168 25790 9083 1 23 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.195 -0.565 25790 9084 1 23 . 1 1 64 64 ALA H H 64 7.837 7.837 7.439 0.398 25790 9085 1 23 . 1 1 65 65 LEU N N 65 119.196 119.196 117.654 1.542 25790 9086 1 23 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.161 0.096 25790 9087 1 23 . 1 1 65 65 LEU C C 65 178.038 178.038 177.605 0.433 25790 9088 1 23 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.875 -0.053 25790 9089 1 23 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.601 -0.337 25790 9090 1 23 . 1 1 65 65 LEU H H 65 7.765 7.765 7.776 -0.011 25790 9091 1 23 . 1 1 66 66 GLN N N 66 119.365 119.365 114.056 5.309 25790 9092 1 23 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.955 0.320 25790 9093 1 23 . 1 1 66 66 GLN C C 66 176.120 176.120 177.039 -0.919 25790 9094 1 23 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.780 -0.713 25790 9095 1 23 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.138 2.994 25790 9096 1 23 . 1 1 66 66 GLN H H 66 7.967 7.967 8.066 -0.099 25790 9097 1 23 . 1 1 67 67 LYS N N 67 121.521 121.521 117.778 3.743 25790 9098 1 23 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.231 0.078 25790 9099 1 23 . 1 1 67 67 LYS C C 67 176.437 176.437 176.286 0.151 25790 9100 1 23 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.995 0.394 25790 9101 1 23 . 1 1 67 67 LYS CB C 67 33.041 33.041 30.376 2.665 25790 9102 1 23 . 1 1 67 67 LYS H H 67 8.053 8.053 8.498 -0.445 25790 9103 1 23 . 1 1 68 68 GLN N N 68 121.970 121.970 119.537 2.433 25790 9104 1 23 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.516 -0.177 25790 9105 1 23 . 1 1 68 68 GLN C C 68 175.120 175.120 174.848 0.272 25790 9106 1 23 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.148 0.852 25790 9107 1 23 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.852 0.646 25790 9108 1 23 . 1 1 68 68 GLN H H 68 8.314 8.314 7.716 0.598 25790 9109 1 24 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.590 -0.143 25790 9110 1 24 . 1 1 2 2 GLN C C 2 176.144 176.144 174.788 1.356 25790 9111 1 24 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.649 0.560 25790 9112 1 24 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.881 -0.422 25790 9113 1 24 . 1 1 3 3 GLN N N 3 122.052 122.052 119.350 2.702 25790 9114 1 24 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.602 -0.279 25790 9115 1 24 . 1 1 3 3 GLN C C 3 176.988 176.988 175.331 1.657 25790 9116 1 24 . 1 1 3 3 GLN CA C 3 57.403 57.403 55.182 2.221 25790 9117 1 24 . 1 1 3 3 GLN CB C 3 29.239 29.239 31.000 -1.762 25790 9118 1 24 . 1 1 3 3 GLN H H 3 8.780 8.780 8.254 0.526 25790 9119 1 24 . 1 1 4 4 LYS N N 4 121.855 121.855 118.113 3.742 25790 9120 1 24 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.939 0.065 25790 9121 1 24 . 1 1 4 4 LYS C C 4 177.638 177.638 177.910 -0.272 25790 9122 1 24 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.718 0.520 25790 9123 1 24 . 1 1 4 4 LYS CB C 4 32.699 32.699 30.792 1.907 25790 9124 1 24 . 1 1 4 4 LYS H H 4 8.528 8.528 8.883 -0.355 25790 9125 1 24 . 1 1 5 5 GLN N N 5 116.397 116.397 118.778 -2.381 25790 9126 1 24 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.883 0.058 25790 9127 1 24 . 1 1 5 5 GLN C C 5 178.761 178.761 177.756 1.005 25790 9128 1 24 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.599 0.750 25790 9129 1 24 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.620 -0.670 25790 9130 1 24 . 1 1 5 5 GLN H H 5 8.223 8.223 8.205 0.018 25790 9131 1 24 . 1 1 6 6 GLN N N 6 119.262 119.262 118.068 1.194 25790 9132 1 24 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.074 0.054 25790 9133 1 24 . 1 1 6 6 GLN C C 6 179.018 179.018 178.152 0.866 25790 9134 1 24 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.877 0.212 25790 9135 1 24 . 1 1 6 6 GLN CB C 6 28.710 28.710 27.615 1.095 25790 9136 1 24 . 1 1 6 6 GLN H H 6 7.848 7.848 8.643 -0.795 25790 9137 1 24 . 1 1 7 7 ILE N N 7 121.296 121.296 119.785 1.511 25790 9138 1 24 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.765 -0.182 25790 9139 1 24 . 1 1 7 7 ILE C C 7 177.833 177.833 177.923 -0.090 25790 9140 1 24 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.508 0.621 25790 9141 1 24 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.657 0.548 25790 9142 1 24 . 1 1 7 7 ILE H H 7 8.095 8.095 7.608 0.487 25790 9143 1 24 . 1 1 8 8 MET N N 8 117.603 117.603 119.558 -1.955 25790 9144 1 24 . 1 1 8 8 MET HA H 8 3.985 3.985 4.086 -0.101 25790 9145 1 24 . 1 1 8 8 MET C C 8 177.355 177.355 178.265 -0.910 25790 9146 1 24 . 1 1 8 8 MET CA C 8 59.932 59.932 59.458 0.474 25790 9147 1 24 . 1 1 8 8 MET CB C 8 32.721 32.721 32.189 0.532 25790 9148 1 24 . 1 1 8 8 MET H H 8 8.672 8.672 7.590 1.082 25790 9149 1 24 . 1 1 9 9 ALA N N 9 118.774 118.774 121.548 -2.774 25790 9150 1 24 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.941 0.105 25790 9151 1 24 . 1 1 9 9 ALA C C 9 180.546 180.546 179.284 1.262 25790 9152 1 24 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.231 0.154 25790 9153 1 24 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.849 0.049 25790 9154 1 24 . 1 1 9 9 ALA H H 9 7.795 7.795 8.430 -0.635 25790 9155 1 24 . 1 1 10 10 ALA N N 10 120.854 120.854 121.422 -0.568 25790 9156 1 24 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.007 0.198 25790 9157 1 24 . 1 1 10 10 ALA C C 10 181.200 181.200 179.701 1.499 25790 9158 1 24 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.950 0.062 25790 9159 1 24 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.236 1.025 25790 9160 1 24 . 1 1 10 10 ALA H H 10 7.438 7.438 7.605 -0.167 25790 9161 1 24 . 1 1 11 11 LEU N N 11 120.775 120.775 118.422 2.353 25790 9162 1 24 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.742 0.006 25790 9163 1 24 . 1 1 11 11 LEU C C 11 179.041 179.041 179.348 -0.307 25790 9164 1 24 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.778 0.568 25790 9165 1 24 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.336 -1.359 25790 9166 1 24 . 1 1 11 11 LEU H H 11 8.757 8.757 8.318 0.439 25790 9167 1 24 . 1 1 12 12 ASN N N 12 116.313 116.313 118.401 -2.088 25790 9168 1 24 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.495 0.069 25790 9169 1 24 . 1 1 12 12 ASN C C 12 178.900 178.900 177.787 1.113 25790 9170 1 24 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.569 -1.504 25790 9171 1 24 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.738 -0.745 25790 9172 1 24 . 1 1 12 12 ASN H H 12 8.850 8.850 8.675 0.175 25790 9173 1 24 . 1 1 13 13 SER N N 13 114.747 114.747 115.538 -0.791 25790 9174 1 24 . 1 1 13 13 SER HA H 13 4.370 4.370 4.172 0.198 25790 9175 1 24 . 1 1 13 13 SER C C 13 176.515 176.515 177.227 -0.712 25790 9176 1 24 . 1 1 13 13 SER CA C 13 61.141 61.141 61.335 -0.194 25790 9177 1 24 . 1 1 13 13 SER CB C 13 63.044 63.044 63.118 -0.074 25790 9178 1 24 . 1 1 13 13 SER H H 13 7.672 7.672 8.063 -0.391 25790 9179 1 24 . 1 1 14 14 GLN N N 14 119.954 119.954 119.464 0.490 25790 9180 1 24 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.086 0.132 25790 9181 1 24 . 1 1 14 14 GLN C C 14 178.208 178.208 177.397 0.811 25790 9182 1 24 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.294 -0.544 25790 9183 1 24 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.825 -0.125 25790 9184 1 24 . 1 1 14 14 GLN H H 14 7.573 7.573 7.919 -0.346 25790 9185 1 24 . 1 1 15 15 THR N N 15 107.493 107.493 107.377 0.116 25790 9186 1 24 . 1 1 15 15 THR HA H 15 3.899 3.899 4.257 -0.358 25790 9187 1 24 . 1 1 15 15 THR C C 15 174.683 174.683 174.328 0.355 25790 9188 1 24 . 1 1 15 15 THR CA C 15 61.551 61.551 60.664 0.887 25790 9189 1 24 . 1 1 15 15 THR CB C 15 69.226 69.226 68.110 1.116 25790 9190 1 24 . 1 1 15 15 THR H H 15 7.741 7.741 7.466 0.275 25790 9191 1 24 . 1 1 16 16 ALA N N 16 124.034 124.034 126.264 -2.230 25790 9192 1 24 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.970 0.165 25790 9193 1 24 . 1 1 16 16 ALA C C 16 179.899 179.899 178.633 1.266 25790 9194 1 24 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.821 0.386 25790 9195 1 24 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.071 0.653 25790 9196 1 24 . 1 1 16 16 ALA H H 16 6.873 6.873 7.268 -0.395 25790 9197 1 24 . 1 1 17 17 VAL N N 17 117.150 117.150 118.609 -1.459 25790 9198 1 24 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.967 -0.253 25790 9199 1 24 . 1 1 17 17 VAL C C 17 178.537 178.537 177.620 0.917 25790 9200 1 24 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.658 1.850 25790 9201 1 24 . 1 1 17 17 VAL CB C 17 31.693 31.693 30.930 0.763 25790 9202 1 24 . 1 1 17 17 VAL H H 17 8.162 8.162 8.321 -0.159 25790 9203 1 24 . 1 1 18 18 GLN N N 18 119.489 119.489 120.489 -1.000 25790 9204 1 24 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.053 0.004 25790 9205 1 24 . 1 1 18 18 GLN C C 18 180.429 180.429 178.743 1.686 25790 9206 1 24 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.186 0.513 25790 9207 1 24 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.265 0.921 25790 9208 1 24 . 1 1 18 18 GLN H H 18 8.451 8.451 7.977 0.474 25790 9209 1 24 . 1 1 19 19 PHE N N 19 117.940 117.940 117.679 0.261 25790 9210 1 24 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.622 0.208 25790 9211 1 24 . 1 1 19 19 PHE C C 19 177.858 177.858 177.936 -0.078 25790 9212 1 24 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.574 -0.545 25790 9213 1 24 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.200 -2.295 25790 9214 1 24 . 1 1 19 19 PHE H H 19 8.924 8.924 8.555 0.369 25790 9215 1 24 . 1 1 20 20 GLN N N 20 120.297 120.297 121.391 -1.094 25790 9216 1 24 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.947 0.159 25790 9217 1 24 . 1 1 20 20 GLN C C 20 178.986 178.986 178.170 0.816 25790 9218 1 24 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.776 -0.213 25790 9219 1 24 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.567 -0.672 25790 9220 1 24 . 1 1 20 20 GLN H H 20 8.264 8.264 7.986 0.278 25790 9221 1 24 . 1 1 21 21 GLN N N 21 118.595 118.595 117.430 1.165 25790 9222 1 24 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.116 -0.034 25790 9223 1 24 . 1 1 21 21 GLN C C 21 178.806 178.806 178.470 0.336 25790 9224 1 24 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.077 1.093 25790 9225 1 24 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.250 -0.054 25790 9226 1 24 . 1 1 21 21 GLN H H 21 8.527 8.527 7.896 0.631 25790 9227 1 24 . 1 1 22 22 TYR N N 22 119.594 119.594 121.813 -2.219 25790 9228 1 24 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.097 0.150 25790 9229 1 24 . 1 1 22 22 TYR C C 22 177.789 177.789 176.866 0.923 25790 9230 1 24 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.980 0.733 25790 9231 1 24 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.303 0.421 25790 9232 1 24 . 1 1 22 22 TYR H H 22 7.843 7.843 7.653 0.190 25790 9233 1 24 . 1 1 23 23 ALA N N 23 120.663 120.663 121.095 -0.432 25790 9234 1 24 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.673 0.184 25790 9235 1 24 . 1 1 23 23 ALA C C 23 179.319 179.319 178.631 0.688 25790 9236 1 24 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.787 0.802 25790 9237 1 24 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.211 0.271 25790 9238 1 24 . 1 1 23 23 ALA H H 23 8.612 8.612 8.547 0.065 25790 9239 1 24 . 1 1 24 24 ALA N N 24 119.002 119.002 119.273 -0.271 25790 9240 1 24 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.163 -0.225 25790 9241 1 24 . 1 1 24 24 ALA C C 24 178.987 178.987 178.446 0.541 25790 9242 1 24 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.200 0.117 25790 9243 1 24 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.573 -0.682 25790 9244 1 24 . 1 1 24 24 ALA H H 24 8.168 8.168 7.830 0.338 25790 9245 1 24 . 1 1 25 25 GLN N N 25 115.599 115.599 115.792 -0.193 25790 9246 1 24 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.190 -0.186 25790 9247 1 24 . 1 1 25 25 GLN C C 25 177.818 177.818 177.077 0.741 25790 9248 1 24 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.443 0.011 25790 9249 1 24 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.481 -0.026 25790 9250 1 24 . 1 1 25 25 GLN H H 25 7.300 7.300 7.470 -0.170 25790 9251 1 24 . 1 1 26 26 GLN N N 26 116.989 116.989 116.947 0.042 25790 9252 1 24 . 1 1 26 26 GLN HA H 26 3.704 3.704 4.039 -0.335 25790 9253 1 24 . 1 1 26 26 GLN C C 26 175.979 175.979 176.181 -0.202 25790 9254 1 24 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.941 -0.153 25790 9255 1 24 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.809 -1.729 25790 9256 1 24 . 1 1 26 26 GLN H H 26 7.401 7.401 7.271 0.130 25790 9257 1 24 . 1 1 27 27 TYR N N 27 114.712 114.712 117.892 -3.180 25790 9258 1 24 . 1 1 27 27 TYR HA H 27 5.078 5.078 5.001 0.077 25790 9259 1 24 . 1 1 27 27 TYR C C 27 172.931 172.931 173.643 -0.712 25790 9260 1 24 . 1 1 27 27 TYR CA C 27 55.167 55.167 53.888 1.279 25790 9261 1 24 . 1 1 27 27 TYR CB C 27 39.660 39.660 37.924 1.736 25790 9262 1 24 . 1 1 27 27 TYR H H 27 7.675 7.675 8.400 -0.725 25790 9263 1 24 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.506 -0.144 25790 9264 1 24 . 1 1 28 28 PRO C C 28 179.333 179.333 177.982 1.351 25790 9265 1 24 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.866 0.528 25790 9266 1 24 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.133 -0.879 25790 9267 1 24 . 1 1 29 29 GLY N N 29 110.091 110.091 112.328 -2.237 25790 9268 1 24 . 1 1 29 29 GLY C C 29 173.218 173.218 174.111 -0.893 25790 9269 1 24 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.061 0.851 25790 9270 1 24 . 1 1 29 29 GLY H H 29 8.826 8.826 8.879 -0.053 25790 9271 1 24 . 1 1 30 30 ASN N N 30 118.603 118.603 120.958 -2.355 25790 9272 1 24 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.076 -0.077 25790 9273 1 24 . 1 1 30 30 ASN C C 30 173.977 173.977 174.302 -0.325 25790 9274 1 24 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.961 -0.776 25790 9275 1 24 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.843 -0.417 25790 9276 1 24 . 1 1 30 30 ASN H H 30 7.293 7.293 7.810 -0.517 25790 9277 1 24 . 1 1 31 31 TYR N N 31 125.240 125.240 125.129 0.111 25790 9278 1 24 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.062 -0.164 25790 9279 1 24 . 1 1 31 31 TYR C C 31 177.343 177.343 176.263 1.080 25790 9280 1 24 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.688 -0.876 25790 9281 1 24 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.819 -0.462 25790 9282 1 24 . 1 1 31 31 TYR H H 31 8.509 8.509 8.803 -0.294 25790 9283 1 24 . 1 1 32 32 GLU N N 32 118.993 118.993 116.184 2.809 25790 9284 1 24 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.701 0.199 25790 9285 1 24 . 1 1 32 32 GLU C C 32 179.549 179.549 178.460 1.089 25790 9286 1 24 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.315 0.797 25790 9287 1 24 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.058 1.110 25790 9288 1 24 . 1 1 32 32 GLU H H 32 8.714 8.714 8.689 0.025 25790 9289 1 24 . 1 1 33 33 GLN N N 33 117.037 117.037 118.787 -1.750 25790 9290 1 24 . 1 1 33 33 GLN HA H 33 3.733 3.733 4.067 -0.334 25790 9291 1 24 . 1 1 33 33 GLN C C 33 179.119 179.119 178.809 0.310 25790 9292 1 24 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.416 -0.714 25790 9293 1 24 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.608 0.018 25790 9294 1 24 . 1 1 33 33 GLN H H 33 7.536 7.536 8.336 -0.800 25790 9295 1 24 . 1 1 34 34 GLN N N 34 117.723 117.723 119.516 -1.793 25790 9296 1 24 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.098 -0.287 25790 9297 1 24 . 1 1 34 34 GLN C C 34 177.634 177.634 178.628 -0.994 25790 9298 1 24 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.525 0.640 25790 9299 1 24 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.445 -0.944 25790 9300 1 24 . 1 1 34 34 GLN H H 34 7.968 7.968 8.492 -0.524 25790 9301 1 24 . 1 1 35 35 GLN N N 35 115.293 115.293 118.453 -3.160 25790 9302 1 24 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.082 -0.291 25790 9303 1 24 . 1 1 35 35 GLN C C 35 178.757 178.757 178.616 0.141 25790 9304 1 24 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.083 0.527 25790 9305 1 24 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.259 -0.054 25790 9306 1 24 . 1 1 35 35 GLN H H 35 7.870 7.870 7.498 0.372 25790 9307 1 24 . 1 1 36 36 ILE N N 36 120.769 120.769 120.977 -0.208 25790 9308 1 24 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.716 -0.152 25790 9309 1 24 . 1 1 36 36 ILE C C 36 178.273 178.273 178.244 0.029 25790 9310 1 24 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.554 -0.318 25790 9311 1 24 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.700 0.673 25790 9312 1 24 . 1 1 36 36 ILE H H 36 7.503 7.503 7.844 -0.341 25790 9313 1 24 . 1 1 37 37 LEU N N 37 121.056 121.056 121.652 -0.596 25790 9314 1 24 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.064 0.245 25790 9315 1 24 . 1 1 37 37 LEU C C 37 178.348 178.348 178.293 0.055 25790 9316 1 24 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.224 -0.490 25790 9317 1 24 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.641 -0.125 25790 9318 1 24 . 1 1 37 37 LEU H H 37 7.678 7.678 8.206 -0.528 25790 9319 1 24 . 1 1 38 38 ILE N N 38 119.334 119.334 118.831 0.503 25790 9320 1 24 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.576 -0.235 25790 9321 1 24 . 1 1 38 38 ILE C C 38 177.371 177.371 177.835 -0.464 25790 9322 1 24 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.611 1.474 25790 9323 1 24 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.499 0.850 25790 9324 1 24 . 1 1 38 38 ILE H H 38 8.702 8.702 7.701 1.001 25790 9325 1 24 . 1 1 39 39 ARG N N 39 117.798 117.798 120.261 -2.463 25790 9326 1 24 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.935 0.280 25790 9327 1 24 . 1 1 39 39 ARG C C 39 179.555 179.555 178.920 0.635 25790 9328 1 24 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.629 -0.170 25790 9329 1 24 . 1 1 39 39 ARG CB C 39 29.752 29.752 30.109 -0.357 25790 9330 1 24 . 1 1 39 39 ARG H H 39 7.739 7.739 8.000 -0.261 25790 9331 1 24 . 1 1 40 40 GLN N N 40 119.432 119.432 117.421 2.011 25790 9332 1 24 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.223 -0.086 25790 9333 1 24 . 1 1 40 40 GLN C C 40 179.522 179.522 178.718 0.804 25790 9334 1 24 . 1 1 40 40 GLN CA C 40 59.260 59.260 57.504 1.756 25790 9335 1 24 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.499 -0.141 25790 9336 1 24 . 1 1 40 40 GLN H H 40 7.811 7.811 7.681 0.130 25790 9337 1 24 . 1 1 41 41 LEU N N 41 121.592 121.592 121.218 0.374 25790 9338 1 24 . 1 1 41 41 LEU HA H 41 3.687 3.687 4.003 -0.316 25790 9339 1 24 . 1 1 41 41 LEU C C 41 178.974 178.974 179.872 -0.898 25790 9340 1 24 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.998 -0.035 25790 9341 1 24 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.491 -1.639 25790 9342 1 24 . 1 1 41 41 LEU H H 41 8.648 8.648 8.344 0.304 25790 9343 1 24 . 1 1 42 42 GLN N N 42 119.054 119.054 118.251 0.803 25790 9344 1 24 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.211 0.333 25790 9345 1 24 . 1 1 42 42 GLN C C 42 180.176 180.176 178.383 1.793 25790 9346 1 24 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.011 0.223 25790 9347 1 24 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.621 -0.701 25790 9348 1 24 . 1 1 42 42 GLN H H 42 8.641 8.641 8.698 -0.057 25790 9349 1 24 . 1 1 43 43 GLU N N 43 121.517 121.517 120.704 0.813 25790 9350 1 24 . 1 1 43 43 GLU HA H 43 4.236 4.236 3.996 0.240 25790 9351 1 24 . 1 1 43 43 GLU C C 43 179.721 179.721 178.621 1.100 25790 9352 1 24 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.585 0.082 25790 9353 1 24 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.364 -0.106 25790 9354 1 24 . 1 1 43 43 GLU H H 43 8.111 8.111 7.807 0.304 25790 9355 1 24 . 1 1 44 44 GLN N N 44 119.240 119.240 118.221 1.019 25790 9356 1 24 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.275 -0.159 25790 9357 1 24 . 1 1 44 44 GLN C C 44 179.012 179.012 178.571 0.441 25790 9358 1 24 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.468 0.681 25790 9359 1 24 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.852 0.003 25790 9360 1 24 . 1 1 44 44 GLN H H 44 8.372 8.372 7.488 0.884 25790 9361 1 24 . 1 1 45 45 HIS N N 45 121.705 121.705 118.839 2.866 25790 9362 1 24 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.428 -0.148 25790 9363 1 24 . 1 1 45 45 HIS C C 45 176.395 176.395 177.452 -1.057 25790 9364 1 24 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.799 0.560 25790 9365 1 24 . 1 1 45 45 HIS CB C 45 32.325 32.325 29.856 2.469 25790 9366 1 24 . 1 1 45 45 HIS H H 45 9.472 9.472 8.457 1.015 25790 9367 1 24 . 1 1 46 46 TYR N N 46 119.039 119.039 120.906 -1.867 25790 9368 1 24 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.216 -0.367 25790 9369 1 24 . 1 1 46 46 TYR C C 46 176.664 176.664 177.442 -0.778 25790 9370 1 24 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.010 0.241 25790 9371 1 24 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.303 -0.631 25790 9372 1 24 . 1 1 46 46 TYR H H 46 8.253 8.253 8.310 -0.057 25790 9373 1 24 . 1 1 47 47 GLN N N 47 116.407 116.407 117.689 -1.282 25790 9374 1 24 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.861 -0.077 25790 9375 1 24 . 1 1 47 47 GLN C C 47 179.048 179.048 178.074 0.974 25790 9376 1 24 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.022 -0.073 25790 9377 1 24 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.268 -0.087 25790 9378 1 24 . 1 1 47 47 GLN H H 47 7.814 7.814 7.835 -0.021 25790 9379 1 24 . 1 1 48 48 GLN N N 48 119.803 119.803 120.017 -0.214 25790 9380 1 24 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.999 -0.022 25790 9381 1 24 . 1 1 48 48 GLN C C 48 177.741 177.741 178.325 -0.584 25790 9382 1 24 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.983 -0.669 25790 9383 1 24 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.689 -0.361 25790 9384 1 24 . 1 1 48 48 GLN H H 48 8.645 8.645 7.670 0.975 25790 9385 1 24 . 1 1 49 49 TYR N N 49 121.342 121.342 120.980 0.362 25790 9386 1 24 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.144 -0.504 25790 9387 1 24 . 1 1 49 49 TYR C C 49 176.021 176.021 177.712 -1.691 25790 9388 1 24 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.721 0.389 25790 9389 1 24 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.448 0.459 25790 9390 1 24 . 1 1 49 49 TYR H H 49 9.105 9.105 8.107 0.998 25790 9391 1 24 . 1 1 50 50 MET N N 50 115.522 115.522 118.513 -2.991 25790 9392 1 24 . 1 1 50 50 MET HA H 50 4.040 4.040 3.873 0.167 25790 9393 1 24 . 1 1 50 50 MET C C 50 179.841 179.841 178.184 1.657 25790 9394 1 24 . 1 1 50 50 MET CA C 50 56.623 56.623 58.641 -2.018 25790 9395 1 24 . 1 1 50 50 MET CB C 50 30.099 30.099 32.281 -2.182 25790 9396 1 24 . 1 1 50 50 MET H H 50 8.060 8.060 8.154 -0.094 25790 9397 1 24 . 1 1 51 51 GLN N N 51 118.942 118.942 118.812 0.130 25790 9398 1 24 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.968 0.097 25790 9399 1 24 . 1 1 51 51 GLN C C 51 178.707 178.707 178.332 0.375 25790 9400 1 24 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.988 -0.047 25790 9401 1 24 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.257 0.232 25790 9402 1 24 . 1 1 51 51 GLN H H 51 7.830 7.830 8.134 -0.304 25790 9403 1 24 . 1 1 52 52 GLN N N 52 119.210 119.210 119.771 -0.561 25790 9404 1 24 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.087 -0.030 25790 9405 1 24 . 1 1 52 52 GLN C C 52 178.738 178.738 178.518 0.220 25790 9406 1 24 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.191 0.558 25790 9407 1 24 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.181 0.222 25790 9408 1 24 . 1 1 52 52 GLN H H 52 8.187 8.187 7.876 0.311 25790 9409 1 24 . 1 1 53 53 LEU N N 53 121.233 121.233 119.948 1.285 25790 9410 1 24 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.834 0.007 25790 9411 1 24 . 1 1 53 53 LEU C C 53 179.191 179.191 178.679 0.512 25790 9412 1 24 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.565 0.180 25790 9413 1 24 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.600 0.266 25790 9414 1 24 . 1 1 53 53 LEU H H 53 8.441 8.441 7.965 0.476 25790 9415 1 24 . 1 1 54 54 TYR N N 54 118.505 118.505 119.706 -1.201 25790 9416 1 24 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.012 0.306 25790 9417 1 24 . 1 1 54 54 TYR C C 54 177.535 177.535 177.247 0.288 25790 9418 1 24 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.537 -1.060 25790 9419 1 24 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.039 -0.253 25790 9420 1 24 . 1 1 54 54 TYR H H 54 7.819 7.819 7.816 0.003 25790 9421 1 24 . 1 1 55 55 GLN N N 55 117.299 117.299 118.663 -1.364 25790 9422 1 24 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.528 0.371 25790 9423 1 24 . 1 1 55 55 GLN C C 55 179.041 179.041 178.347 0.694 25790 9424 1 24 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.900 -0.191 25790 9425 1 24 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.555 -0.340 25790 9426 1 24 . 1 1 55 55 GLN H H 55 7.735 7.735 7.666 0.069 25790 9427 1 24 . 1 1 56 56 VAL N N 56 120.879 120.879 120.657 0.222 25790 9428 1 24 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.525 0.267 25790 9429 1 24 . 1 1 56 56 VAL C C 56 178.262 178.262 177.954 0.308 25790 9430 1 24 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.422 -0.480 25790 9431 1 24 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.292 0.587 25790 9432 1 24 . 1 1 56 56 VAL H H 56 8.014 8.014 7.642 0.372 25790 9433 1 24 . 1 1 57 57 GLN N N 57 120.513 120.513 119.420 1.093 25790 9434 1 24 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.973 0.087 25790 9435 1 24 . 1 1 57 57 GLN C C 57 178.772 178.772 178.948 -0.176 25790 9436 1 24 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.245 -0.629 25790 9437 1 24 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.759 -0.774 25790 9438 1 24 . 1 1 57 57 GLN H H 57 8.103 8.103 7.996 0.107 25790 9439 1 24 . 1 1 58 58 LEU N N 58 121.244 121.244 119.150 2.094 25790 9440 1 24 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.964 0.041 25790 9441 1 24 . 1 1 58 58 LEU C C 58 179.134 179.134 178.881 0.253 25790 9442 1 24 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.335 0.171 25790 9443 1 24 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.301 0.502 25790 9444 1 24 . 1 1 58 58 LEU H H 58 8.176 8.176 7.957 0.219 25790 9445 1 24 . 1 1 59 59 ALA N N 59 121.608 121.608 121.805 -0.197 25790 9446 1 24 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.826 0.339 25790 9447 1 24 . 1 1 59 59 ALA C C 59 180.497 180.497 179.896 0.601 25790 9448 1 24 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.239 -0.657 25790 9449 1 24 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.938 0.115 25790 9450 1 24 . 1 1 59 59 ALA H H 59 7.833 7.833 8.113 -0.280 25790 9451 1 24 . 1 1 60 60 GLN N N 60 118.335 118.335 117.430 0.905 25790 9452 1 24 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.942 0.206 25790 9453 1 24 . 1 1 60 60 GLN C C 60 178.334 178.334 178.841 -0.507 25790 9454 1 24 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.801 -0.824 25790 9455 1 24 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.639 -0.204 25790 9456 1 24 . 1 1 60 60 GLN H H 60 8.081 8.081 8.104 -0.023 25790 9457 1 24 . 1 1 61 61 GLN N N 61 120.206 120.206 119.741 0.465 25790 9458 1 24 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.993 0.169 25790 9459 1 24 . 1 1 61 61 GLN C C 61 178.002 178.002 178.622 -0.620 25790 9460 1 24 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.975 -1.070 25790 9461 1 24 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.582 -0.003 25790 9462 1 24 . 1 1 61 61 GLN H H 61 8.111 8.111 7.826 0.285 25790 9463 1 24 . 1 1 62 62 GLN N N 62 118.980 118.980 118.870 0.110 25790 9464 1 24 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.214 -0.085 25790 9465 1 24 . 1 1 62 62 GLN C C 62 177.624 177.624 178.406 -0.782 25790 9466 1 24 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.928 -1.292 25790 9467 1 24 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.613 0.023 25790 9468 1 24 . 1 1 62 62 GLN H H 62 8.203 8.203 8.477 -0.274 25790 9469 1 24 . 1 1 63 63 ALA N N 63 122.712 122.712 121.977 0.735 25790 9470 1 24 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.108 0.098 25790 9471 1 24 . 1 1 63 63 ALA C C 63 178.922 178.922 178.697 0.225 25790 9472 1 24 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.399 -0.503 25790 9473 1 24 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.407 0.052 25790 9474 1 24 . 1 1 63 63 ALA H H 63 8.004 8.004 8.047 -0.043 25790 9475 1 24 . 1 1 64 64 ALA N N 64 120.813 120.813 120.221 0.592 25790 9476 1 24 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.190 0.042 25790 9477 1 24 . 1 1 64 64 ALA C C 64 178.732 178.732 178.792 -0.060 25790 9478 1 24 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.733 -0.217 25790 9479 1 24 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.246 -0.616 25790 9480 1 24 . 1 1 64 64 ALA H H 64 7.837 7.837 7.689 0.148 25790 9481 1 24 . 1 1 65 65 LEU N N 65 119.196 119.196 119.316 -0.120 25790 9482 1 24 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.150 0.107 25790 9483 1 24 . 1 1 65 65 LEU C C 65 178.038 178.038 177.994 0.044 25790 9484 1 24 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.277 -0.455 25790 9485 1 24 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.646 -0.382 25790 9486 1 24 . 1 1 65 65 LEU H H 65 7.765 7.765 7.768 -0.003 25790 9487 1 24 . 1 1 66 66 GLN N N 66 119.365 119.365 114.650 4.715 25790 9488 1 24 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.938 0.337 25790 9489 1 24 . 1 1 66 66 GLN C C 66 176.120 176.120 175.304 0.816 25790 9490 1 24 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.259 -1.192 25790 9491 1 24 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.737 2.395 25790 9492 1 24 . 1 1 66 66 GLN H H 66 7.967 7.967 8.127 -0.160 25790 9493 1 24 . 1 1 67 67 LYS N N 67 121.521 121.521 117.315 4.206 25790 9494 1 24 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.509 -0.200 25790 9495 1 24 . 1 1 67 67 LYS C C 67 176.437 176.437 176.066 0.371 25790 9496 1 24 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.916 0.473 25790 9497 1 24 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.113 -0.072 25790 9498 1 24 . 1 1 67 67 LYS H H 67 8.053 8.053 8.432 -0.379 25790 9499 1 24 . 1 1 68 68 GLN N N 68 121.970 121.970 119.352 2.618 25790 9500 1 24 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.521 -0.182 25790 9501 1 24 . 1 1 68 68 GLN C C 68 175.120 175.120 174.774 0.346 25790 9502 1 24 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.604 0.396 25790 9503 1 24 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.046 1.452 25790 9504 1 24 . 1 1 68 68 GLN H H 68 8.314 8.314 8.229 0.085 25790 9505 1 25 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.017 0.430 25790 9506 1 25 . 1 1 2 2 GLN C C 2 176.144 176.144 175.889 0.255 25790 9507 1 25 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.359 -0.150 25790 9508 1 25 . 1 1 2 2 GLN CB C 2 29.459 29.459 27.760 1.699 25790 9509 1 25 . 1 1 3 3 GLN N N 3 122.052 122.052 118.943 3.109 25790 9510 1 25 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.346 -0.023 25790 9511 1 25 . 1 1 3 3 GLN C C 3 176.988 176.988 176.050 0.938 25790 9512 1 25 . 1 1 3 3 GLN CA C 3 57.403 57.403 55.249 2.154 25790 9513 1 25 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.389 1.851 25790 9514 1 25 . 1 1 3 3 GLN H H 3 8.780 8.780 8.307 0.473 25790 9515 1 25 . 1 1 4 4 LYS N N 4 121.855 121.855 122.356 -0.501 25790 9516 1 25 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.048 -0.044 25790 9517 1 25 . 1 1 4 4 LYS C C 4 177.638 177.638 178.109 -0.471 25790 9518 1 25 . 1 1 4 4 LYS CA C 4 60.239 60.239 60.115 0.123 25790 9519 1 25 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.372 0.327 25790 9520 1 25 . 1 1 4 4 LYS H H 4 8.528 8.528 7.938 0.590 25790 9521 1 25 . 1 1 5 5 GLN N N 5 116.397 116.397 116.931 -0.534 25790 9522 1 25 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.052 -0.111 25790 9523 1 25 . 1 1 5 5 GLN C C 5 178.761 178.761 178.801 -0.040 25790 9524 1 25 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.831 0.518 25790 9525 1 25 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.315 -0.365 25790 9526 1 25 . 1 1 5 5 GLN H H 5 8.223 8.223 8.633 -0.410 25790 9527 1 25 . 1 1 6 6 GLN N N 6 119.262 119.262 119.592 -0.330 25790 9528 1 25 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.117 0.011 25790 9529 1 25 . 1 1 6 6 GLN C C 6 179.018 179.018 178.691 0.327 25790 9530 1 25 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.703 0.386 25790 9531 1 25 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.788 -0.078 25790 9532 1 25 . 1 1 6 6 GLN H H 6 7.848 7.848 7.773 0.075 25790 9533 1 25 . 1 1 7 7 ILE N N 7 121.296 121.296 121.006 0.290 25790 9534 1 25 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.698 -0.115 25790 9535 1 25 . 1 1 7 7 ILE C C 7 177.833 177.833 177.860 -0.027 25790 9536 1 25 . 1 1 7 7 ILE CA C 7 65.129 65.129 65.698 -0.569 25790 9537 1 25 . 1 1 7 7 ILE CB C 7 38.206 38.206 38.019 0.187 25790 9538 1 25 . 1 1 7 7 ILE H H 7 8.095 8.095 7.720 0.375 25790 9539 1 25 . 1 1 8 8 MET N N 8 117.603 117.603 118.939 -1.336 25790 9540 1 25 . 1 1 8 8 MET HA H 8 3.985 3.985 4.193 -0.208 25790 9541 1 25 . 1 1 8 8 MET C C 8 177.355 177.355 178.493 -1.138 25790 9542 1 25 . 1 1 8 8 MET CA C 8 59.932 59.932 57.403 2.529 25790 9543 1 25 . 1 1 8 8 MET CB C 8 32.721 32.721 31.392 1.329 25790 9544 1 25 . 1 1 8 8 MET H H 8 8.672 8.672 8.426 0.246 25790 9545 1 25 . 1 1 9 9 ALA N N 9 118.774 118.774 122.112 -3.338 25790 9546 1 25 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.039 0.007 25790 9547 1 25 . 1 1 9 9 ALA C C 9 180.546 180.546 179.085 1.461 25790 9548 1 25 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.220 0.165 25790 9549 1 25 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.053 -0.155 25790 9550 1 25 . 1 1 9 9 ALA H H 9 7.795 7.795 8.065 -0.270 25790 9551 1 25 . 1 1 10 10 ALA N N 10 120.854 120.854 121.522 -0.668 25790 9552 1 25 . 1 1 10 10 ALA HA H 10 4.205 4.205 3.988 0.217 25790 9553 1 25 . 1 1 10 10 ALA C C 10 181.200 181.200 179.469 1.731 25790 9554 1 25 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.825 0.187 25790 9555 1 25 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.418 0.843 25790 9556 1 25 . 1 1 10 10 ALA H H 10 7.438 7.438 7.473 -0.035 25790 9557 1 25 . 1 1 11 11 LEU N N 11 120.775 120.775 118.318 2.457 25790 9558 1 25 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.839 -0.091 25790 9559 1 25 . 1 1 11 11 LEU C C 11 179.041 179.041 179.424 -0.383 25790 9560 1 25 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.941 0.405 25790 9561 1 25 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.470 -1.493 25790 9562 1 25 . 1 1 11 11 LEU H H 11 8.757 8.757 8.427 0.330 25790 9563 1 25 . 1 1 12 12 ASN N N 12 116.313 116.313 118.232 -1.919 25790 9564 1 25 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.502 0.062 25790 9565 1 25 . 1 1 12 12 ASN C C 12 178.900 178.900 177.676 1.224 25790 9566 1 25 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.832 -1.767 25790 9567 1 25 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.614 -1.621 25790 9568 1 25 . 1 1 12 12 ASN H H 12 8.850 8.850 8.748 0.102 25790 9569 1 25 . 1 1 13 13 SER N N 13 114.747 114.747 116.349 -1.602 25790 9570 1 25 . 1 1 13 13 SER HA H 13 4.370 4.370 4.171 0.199 25790 9571 1 25 . 1 1 13 13 SER C C 13 176.515 176.515 175.852 0.663 25790 9572 1 25 . 1 1 13 13 SER CA C 13 61.141 61.141 61.674 -0.533 25790 9573 1 25 . 1 1 13 13 SER CB C 13 63.044 63.044 62.986 0.058 25790 9574 1 25 . 1 1 13 13 SER H H 13 7.672 7.672 7.750 -0.078 25790 9575 1 25 . 1 1 14 14 GLN N N 14 119.954 119.954 117.604 2.350 25790 9576 1 25 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.160 0.058 25790 9577 1 25 . 1 1 14 14 GLN C C 14 178.208 178.208 176.988 1.220 25790 9578 1 25 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.766 -0.017 25790 9579 1 25 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.883 -0.183 25790 9580 1 25 . 1 1 14 14 GLN H H 14 7.573 7.573 7.893 -0.320 25790 9581 1 25 . 1 1 15 15 THR N N 15 107.493 107.493 106.589 0.904 25790 9582 1 25 . 1 1 15 15 THR HA H 15 3.899 3.899 4.047 -0.148 25790 9583 1 25 . 1 1 15 15 THR C C 15 174.683 174.683 174.642 0.041 25790 9584 1 25 . 1 1 15 15 THR CA C 15 61.551 61.551 61.112 0.439 25790 9585 1 25 . 1 1 15 15 THR CB C 15 69.226 69.226 68.465 0.761 25790 9586 1 25 . 1 1 15 15 THR H H 15 7.741 7.741 7.032 0.709 25790 9587 1 25 . 1 1 16 16 ALA N N 16 124.034 124.034 126.141 -2.107 25790 9588 1 25 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.004 0.131 25790 9589 1 25 . 1 1 16 16 ALA C C 16 179.899 179.899 178.632 1.267 25790 9590 1 25 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.522 0.685 25790 9591 1 25 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.865 0.859 25790 9592 1 25 . 1 1 16 16 ALA H H 16 6.873 6.873 7.733 -0.860 25790 9593 1 25 . 1 1 17 17 VAL N N 17 117.150 117.150 118.515 -1.365 25790 9594 1 25 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.812 -0.098 25790 9595 1 25 . 1 1 17 17 VAL C C 17 178.537 178.537 176.981 1.556 25790 9596 1 25 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.506 2.002 25790 9597 1 25 . 1 1 17 17 VAL CB C 17 31.693 31.693 30.952 0.741 25790 9598 1 25 . 1 1 17 17 VAL H H 17 8.162 8.162 8.317 -0.155 25790 9599 1 25 . 1 1 18 18 GLN N N 18 119.489 119.489 120.363 -0.874 25790 9600 1 25 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.089 -0.032 25790 9601 1 25 . 1 1 18 18 GLN C C 18 180.429 180.429 178.380 2.049 25790 9602 1 25 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.242 0.457 25790 9603 1 25 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.518 0.668 25790 9604 1 25 . 1 1 18 18 GLN H H 18 8.451 8.451 8.028 0.423 25790 9605 1 25 . 1 1 19 19 PHE N N 19 117.940 117.940 117.582 0.358 25790 9606 1 25 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.631 0.199 25790 9607 1 25 . 1 1 19 19 PHE C C 19 177.858 177.858 177.818 0.040 25790 9608 1 25 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.349 -0.320 25790 9609 1 25 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.396 -2.491 25790 9610 1 25 . 1 1 19 19 PHE H H 19 8.924 8.924 8.326 0.598 25790 9611 1 25 . 1 1 20 20 GLN N N 20 120.297 120.297 121.632 -1.335 25790 9612 1 25 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.997 0.109 25790 9613 1 25 . 1 1 20 20 GLN C C 20 178.986 178.986 178.071 0.915 25790 9614 1 25 . 1 1 20 20 GLN CA C 20 59.563 59.563 60.022 -0.459 25790 9615 1 25 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.525 -0.630 25790 9616 1 25 . 1 1 20 20 GLN H H 20 8.264 8.264 7.951 0.313 25790 9617 1 25 . 1 1 21 21 GLN N N 21 118.595 118.595 118.081 0.514 25790 9618 1 25 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.035 0.047 25790 9619 1 25 . 1 1 21 21 GLN C C 21 178.806 178.806 178.666 0.140 25790 9620 1 25 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.777 0.393 25790 9621 1 25 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.724 -0.528 25790 9622 1 25 . 1 1 21 21 GLN H H 21 8.527 8.527 7.805 0.722 25790 9623 1 25 . 1 1 22 22 TYR N N 22 119.594 119.594 120.777 -1.183 25790 9624 1 25 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.101 0.146 25790 9625 1 25 . 1 1 22 22 TYR C C 22 177.789 177.789 176.768 1.021 25790 9626 1 25 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.922 0.790 25790 9627 1 25 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.419 0.305 25790 9628 1 25 . 1 1 22 22 TYR H H 22 7.843 7.843 7.571 0.272 25790 9629 1 25 . 1 1 23 23 ALA N N 23 120.663 120.663 121.153 -0.490 25790 9630 1 25 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.708 0.149 25790 9631 1 25 . 1 1 23 23 ALA C C 23 179.319 179.319 179.125 0.194 25790 9632 1 25 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.832 0.757 25790 9633 1 25 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.034 0.448 25790 9634 1 25 . 1 1 23 23 ALA H H 23 8.612 8.612 8.664 -0.052 25790 9635 1 25 . 1 1 24 24 ALA N N 24 119.002 119.002 119.694 -0.692 25790 9636 1 25 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.117 -0.179 25790 9637 1 25 . 1 1 24 24 ALA C C 24 178.987 178.987 178.885 0.102 25790 9638 1 25 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.278 0.039 25790 9639 1 25 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.531 -0.640 25790 9640 1 25 . 1 1 24 24 ALA H H 24 8.168 8.168 8.559 -0.391 25790 9641 1 25 . 1 1 25 25 GLN N N 25 115.599 115.599 117.145 -1.546 25790 9642 1 25 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.064 -0.060 25790 9643 1 25 . 1 1 25 25 GLN C C 25 177.818 177.818 177.843 -0.025 25790 9644 1 25 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.016 -0.562 25790 9645 1 25 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.805 -0.350 25790 9646 1 25 . 1 1 25 25 GLN H H 25 7.300 7.300 7.551 -0.251 25790 9647 1 25 . 1 1 26 26 GLN N N 26 116.989 116.989 117.500 -0.511 25790 9648 1 25 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.922 -0.218 25790 9649 1 25 . 1 1 26 26 GLN C C 26 175.979 175.979 176.413 -0.434 25790 9650 1 25 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.382 -0.594 25790 9651 1 25 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.872 -0.792 25790 9652 1 25 . 1 1 26 26 GLN H H 26 7.401 7.401 7.272 0.129 25790 9653 1 25 . 1 1 27 27 TYR N N 27 114.712 114.712 118.388 -3.676 25790 9654 1 25 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.918 0.160 25790 9655 1 25 . 1 1 27 27 TYR C C 27 172.931 172.931 173.879 -0.948 25790 9656 1 25 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.215 0.952 25790 9657 1 25 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.000 1.660 25790 9658 1 25 . 1 1 27 27 TYR H H 27 7.675 7.675 8.226 -0.551 25790 9659 1 25 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.542 -0.180 25790 9660 1 25 . 1 1 28 28 PRO C C 28 179.333 179.333 177.805 1.528 25790 9661 1 25 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.790 0.604 25790 9662 1 25 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.519 -1.265 25790 9663 1 25 . 1 1 29 29 GLY N N 29 110.091 110.091 113.032 -2.941 25790 9664 1 25 . 1 1 29 29 GLY C C 29 173.218 173.218 174.681 -1.463 25790 9665 1 25 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.354 0.558 25790 9666 1 25 . 1 1 29 29 GLY H H 29 8.826 8.826 8.737 0.089 25790 9667 1 25 . 1 1 30 30 ASN N N 30 118.603 118.603 121.945 -3.342 25790 9668 1 25 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.086 -0.087 25790 9669 1 25 . 1 1 30 30 ASN C C 30 173.977 173.977 174.775 -0.798 25790 9670 1 25 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.413 -0.228 25790 9671 1 25 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.759 0.667 25790 9672 1 25 . 1 1 30 30 ASN H H 30 7.293 7.293 7.752 -0.459 25790 9673 1 25 . 1 1 31 31 TYR N N 31 125.240 125.240 126.505 -1.265 25790 9674 1 25 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.106 -0.208 25790 9675 1 25 . 1 1 31 31 TYR C C 31 177.343 177.343 176.602 0.741 25790 9676 1 25 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.482 -0.671 25790 9677 1 25 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.839 -0.482 25790 9678 1 25 . 1 1 31 31 TYR H H 31 8.509 8.509 7.866 0.643 25790 9679 1 25 . 1 1 32 32 GLU N N 32 118.993 118.993 117.528 1.465 25790 9680 1 25 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.608 0.292 25790 9681 1 25 . 1 1 32 32 GLU C C 32 179.549 179.549 178.771 0.778 25790 9682 1 25 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.402 0.710 25790 9683 1 25 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.106 1.062 25790 9684 1 25 . 1 1 32 32 GLU H H 32 8.714 8.714 8.790 -0.076 25790 9685 1 25 . 1 1 33 33 GLN N N 33 117.037 117.037 118.465 -1.428 25790 9686 1 25 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.947 -0.214 25790 9687 1 25 . 1 1 33 33 GLN C C 33 179.119 179.119 178.795 0.324 25790 9688 1 25 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.123 -0.421 25790 9689 1 25 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.329 0.297 25790 9690 1 25 . 1 1 33 33 GLN H H 33 7.536 7.536 7.754 -0.218 25790 9691 1 25 . 1 1 34 34 GLN N N 34 117.723 117.723 119.574 -1.851 25790 9692 1 25 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.109 -0.298 25790 9693 1 25 . 1 1 34 34 GLN C C 34 177.634 177.634 178.684 -1.050 25790 9694 1 25 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.484 0.680 25790 9695 1 25 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.448 -0.947 25790 9696 1 25 . 1 1 34 34 GLN H H 34 7.968 7.968 8.607 -0.639 25790 9697 1 25 . 1 1 35 35 GLN N N 35 115.293 115.293 118.556 -3.263 25790 9698 1 25 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.056 -0.265 25790 9699 1 25 . 1 1 35 35 GLN C C 35 178.757 178.757 178.621 0.136 25790 9700 1 25 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.218 0.392 25790 9701 1 25 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.138 0.067 25790 9702 1 25 . 1 1 35 35 GLN H H 35 7.870 7.870 7.557 0.313 25790 9703 1 25 . 1 1 36 36 ILE N N 36 120.769 120.769 120.776 -0.007 25790 9704 1 25 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.674 -0.110 25790 9705 1 25 . 1 1 36 36 ILE C C 36 178.273 178.273 178.139 0.134 25790 9706 1 25 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.154 0.082 25790 9707 1 25 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.744 0.629 25790 9708 1 25 . 1 1 36 36 ILE H H 36 7.503 7.503 7.492 0.011 25790 9709 1 25 . 1 1 37 37 LEU N N 37 121.056 121.056 122.117 -1.061 25790 9710 1 25 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.183 0.126 25790 9711 1 25 . 1 1 37 37 LEU C C 37 178.348 178.348 178.663 -0.315 25790 9712 1 25 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.055 -0.321 25790 9713 1 25 . 1 1 37 37 LEU CB C 37 41.516 41.516 42.010 -0.494 25790 9714 1 25 . 1 1 37 37 LEU H H 37 7.678 7.678 7.936 -0.258 25790 9715 1 25 . 1 1 38 38 ILE N N 38 119.334 119.334 119.495 -0.161 25790 9716 1 25 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.589 -0.248 25790 9717 1 25 . 1 1 38 38 ILE C C 38 177.371 177.371 178.144 -0.773 25790 9718 1 25 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.963 1.122 25790 9719 1 25 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.740 0.609 25790 9720 1 25 . 1 1 38 38 ILE H H 38 8.702 8.702 7.944 0.758 25790 9721 1 25 . 1 1 39 39 ARG N N 39 117.798 117.798 118.974 -1.176 25790 9722 1 25 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.267 -0.052 25790 9723 1 25 . 1 1 39 39 ARG C C 39 179.555 179.555 179.031 0.524 25790 9724 1 25 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.455 0.004 25790 9725 1 25 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.991 -0.239 25790 9726 1 25 . 1 1 39 39 ARG H H 39 7.739 7.739 8.003 -0.264 25790 9727 1 25 . 1 1 40 40 GLN N N 40 119.432 119.432 120.635 -1.203 25790 9728 1 25 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.090 0.047 25790 9729 1 25 . 1 1 40 40 GLN C C 40 179.522 179.522 178.473 1.049 25790 9730 1 25 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.967 0.293 25790 9731 1 25 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.747 -0.389 25790 9732 1 25 . 1 1 40 40 GLN H H 40 7.811 7.811 7.806 0.005 25790 9733 1 25 . 1 1 41 41 LEU N N 41 121.592 121.592 118.961 2.631 25790 9734 1 25 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.848 -0.161 25790 9735 1 25 . 1 1 41 41 LEU C C 41 178.974 178.974 179.379 -0.405 25790 9736 1 25 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.449 0.514 25790 9737 1 25 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.014 -1.161 25790 9738 1 25 . 1 1 41 41 LEU H H 41 8.648 8.648 8.324 0.324 25790 9739 1 25 . 1 1 42 42 GLN N N 42 119.054 119.054 118.962 0.092 25790 9740 1 25 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.341 0.203 25790 9741 1 25 . 1 1 42 42 GLN C C 42 180.176 180.176 178.785 1.391 25790 9742 1 25 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.526 -0.291 25790 9743 1 25 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.786 -0.866 25790 9744 1 25 . 1 1 42 42 GLN H H 42 8.641 8.641 8.204 0.437 25790 9745 1 25 . 1 1 43 43 GLU N N 43 121.517 121.517 120.088 1.429 25790 9746 1 25 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.077 0.159 25790 9747 1 25 . 1 1 43 43 GLU C C 43 179.721 179.721 179.168 0.553 25790 9748 1 25 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.557 0.110 25790 9749 1 25 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.504 -0.246 25790 9750 1 25 . 1 1 43 43 GLU H H 43 8.111 8.111 7.833 0.278 25790 9751 1 25 . 1 1 44 44 GLN N N 44 119.240 119.240 117.856 1.384 25790 9752 1 25 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.134 -0.018 25790 9753 1 25 . 1 1 44 44 GLN C C 44 179.012 179.012 178.745 0.267 25790 9754 1 25 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.289 0.860 25790 9755 1 25 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.519 0.335 25790 9756 1 25 . 1 1 44 44 GLN H H 44 8.372 8.372 7.868 0.504 25790 9757 1 25 . 1 1 45 45 HIS N N 45 121.705 121.705 120.865 0.840 25790 9758 1 25 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.584 -0.304 25790 9759 1 25 . 1 1 45 45 HIS C C 45 176.395 176.395 177.399 -1.004 25790 9760 1 25 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.199 1.160 25790 9761 1 25 . 1 1 45 45 HIS CB C 45 32.325 32.325 29.919 2.406 25790 9762 1 25 . 1 1 45 45 HIS H H 45 9.472 9.472 8.358 1.114 25790 9763 1 25 . 1 1 46 46 TYR N N 46 119.039 119.039 119.908 -0.869 25790 9764 1 25 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.137 -0.288 25790 9765 1 25 . 1 1 46 46 TYR C C 46 176.664 176.664 177.624 -0.960 25790 9766 1 25 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.254 -0.003 25790 9767 1 25 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.381 -0.709 25790 9768 1 25 . 1 1 46 46 TYR H H 46 8.253 8.253 8.175 0.078 25790 9769 1 25 . 1 1 47 47 GLN N N 47 116.407 116.407 117.540 -1.133 25790 9770 1 25 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.939 -0.155 25790 9771 1 25 . 1 1 47 47 GLN C C 47 179.048 179.048 178.540 0.508 25790 9772 1 25 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.118 -0.169 25790 9773 1 25 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.295 -0.114 25790 9774 1 25 . 1 1 47 47 GLN H H 47 7.814 7.814 7.915 -0.101 25790 9775 1 25 . 1 1 48 48 GLN N N 48 119.803 119.803 119.438 0.365 25790 9776 1 25 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.117 -0.140 25790 9777 1 25 . 1 1 48 48 GLN C C 48 177.741 177.741 178.348 -0.607 25790 9778 1 25 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.765 -0.451 25790 9779 1 25 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.386 -0.058 25790 9780 1 25 . 1 1 48 48 GLN H H 48 8.645 8.645 7.639 1.006 25790 9781 1 25 . 1 1 49 49 TYR N N 49 121.342 121.342 122.466 -1.124 25790 9782 1 25 . 1 1 49 49 TYR HA H 49 3.640 3.640 3.984 -0.344 25790 9783 1 25 . 1 1 49 49 TYR C C 49 176.021 176.021 177.470 -1.449 25790 9784 1 25 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.572 0.537 25790 9785 1 25 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.239 0.668 25790 9786 1 25 . 1 1 49 49 TYR H H 49 9.105 9.105 8.243 0.862 25790 9787 1 25 . 1 1 50 50 MET N N 50 115.522 115.522 117.237 -1.715 25790 9788 1 25 . 1 1 50 50 MET HA H 50 4.040 4.040 3.882 0.158 25790 9789 1 25 . 1 1 50 50 MET C C 50 179.841 179.841 178.544 1.297 25790 9790 1 25 . 1 1 50 50 MET CA C 50 56.623 56.623 56.735 -0.112 25790 9791 1 25 . 1 1 50 50 MET CB C 50 30.099 30.099 31.139 -1.040 25790 9792 1 25 . 1 1 50 50 MET H H 50 8.060 8.060 7.966 0.094 25790 9793 1 25 . 1 1 51 51 GLN N N 51 118.942 118.942 119.593 -0.651 25790 9794 1 25 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.945 0.120 25790 9795 1 25 . 1 1 51 51 GLN C C 51 178.707 178.707 178.446 0.261 25790 9796 1 25 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.143 -0.202 25790 9797 1 25 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.606 -0.117 25790 9798 1 25 . 1 1 51 51 GLN H H 51 7.830 7.830 7.921 -0.091 25790 9799 1 25 . 1 1 52 52 GLN N N 52 119.210 119.210 120.190 -0.980 25790 9800 1 25 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.076 -0.019 25790 9801 1 25 . 1 1 52 52 GLN C C 52 178.738 178.738 178.369 0.369 25790 9802 1 25 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.285 0.464 25790 9803 1 25 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.346 0.057 25790 9804 1 25 . 1 1 52 52 GLN H H 52 8.187 8.187 8.001 0.186 25790 9805 1 25 . 1 1 53 53 LEU N N 53 121.233 121.233 120.403 0.830 25790 9806 1 25 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.717 0.124 25790 9807 1 25 . 1 1 53 53 LEU C C 53 179.191 179.191 178.580 0.611 25790 9808 1 25 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.666 0.078 25790 9809 1 25 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.417 0.449 25790 9810 1 25 . 1 1 53 53 LEU H H 53 8.441 8.441 8.186 0.255 25790 9811 1 25 . 1 1 54 54 TYR N N 54 118.505 118.505 119.094 -0.589 25790 9812 1 25 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.917 0.401 25790 9813 1 25 . 1 1 54 54 TYR C C 54 177.535 177.535 177.341 0.194 25790 9814 1 25 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.968 -1.491 25790 9815 1 25 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.899 -0.113 25790 9816 1 25 . 1 1 54 54 TYR H H 54 7.819 7.819 8.287 -0.468 25790 9817 1 25 . 1 1 55 55 GLN N N 55 117.299 117.299 117.827 -0.528 25790 9818 1 25 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.597 0.302 25790 9819 1 25 . 1 1 55 55 GLN C C 55 179.041 179.041 178.293 0.748 25790 9820 1 25 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.465 0.244 25790 9821 1 25 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.555 -0.340 25790 9822 1 25 . 1 1 55 55 GLN H H 55 7.735 7.735 7.702 0.033 25790 9823 1 25 . 1 1 56 56 VAL N N 56 120.879 120.879 120.898 -0.019 25790 9824 1 25 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.540 0.252 25790 9825 1 25 . 1 1 56 56 VAL C C 56 178.262 178.262 178.017 0.245 25790 9826 1 25 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.321 -0.379 25790 9827 1 25 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.197 0.682 25790 9828 1 25 . 1 1 56 56 VAL H H 56 8.014 8.014 7.781 0.233 25790 9829 1 25 . 1 1 57 57 GLN N N 57 120.513 120.513 119.478 1.035 25790 9830 1 25 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.992 0.068 25790 9831 1 25 . 1 1 57 57 GLN C C 57 178.772 178.772 178.817 -0.045 25790 9832 1 25 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.415 -0.799 25790 9833 1 25 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.703 -0.718 25790 9834 1 25 . 1 1 57 57 GLN H H 57 8.103 8.103 8.156 -0.053 25790 9835 1 25 . 1 1 58 58 LEU N N 58 121.244 121.244 119.573 1.671 25790 9836 1 25 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.927 0.078 25790 9837 1 25 . 1 1 58 58 LEU C C 58 179.134 179.134 178.468 0.666 25790 9838 1 25 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.229 0.277 25790 9839 1 25 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.291 0.512 25790 9840 1 25 . 1 1 58 58 LEU H H 58 8.176 8.176 7.723 0.453 25790 9841 1 25 . 1 1 59 59 ALA N N 59 121.608 121.608 121.927 -0.319 25790 9842 1 25 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.857 0.308 25790 9843 1 25 . 1 1 59 59 ALA C C 59 180.497 180.497 179.918 0.579 25790 9844 1 25 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.203 -0.621 25790 9845 1 25 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.946 0.107 25790 9846 1 25 . 1 1 59 59 ALA H H 59 7.833 7.833 8.102 -0.269 25790 9847 1 25 . 1 1 60 60 GLN N N 60 118.335 118.335 117.333 1.002 25790 9848 1 25 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.957 0.191 25790 9849 1 25 . 1 1 60 60 GLN C C 60 178.334 178.334 178.881 -0.547 25790 9850 1 25 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.750 -0.773 25790 9851 1 25 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.584 -0.149 25790 9852 1 25 . 1 1 60 60 GLN H H 60 8.081 8.081 7.903 0.178 25790 9853 1 25 . 1 1 61 61 GLN N N 61 120.206 120.206 118.839 1.367 25790 9854 1 25 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.046 0.116 25790 9855 1 25 . 1 1 61 61 GLN C C 61 178.002 178.002 178.522 -0.520 25790 9856 1 25 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.746 -0.841 25790 9857 1 25 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.520 0.059 25790 9858 1 25 . 1 1 61 61 GLN H H 61 8.111 8.111 7.877 0.234 25790 9859 1 25 . 1 1 62 62 GLN N N 62 118.980 118.980 118.184 0.796 25790 9860 1 25 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.094 0.035 25790 9861 1 25 . 1 1 62 62 GLN C C 62 177.624 177.624 178.012 -0.388 25790 9862 1 25 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.538 -0.902 25790 9863 1 25 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.184 0.452 25790 9864 1 25 . 1 1 62 62 GLN H H 62 8.203 8.203 8.382 -0.179 25790 9865 1 25 . 1 1 63 63 ALA N N 63 122.712 122.712 122.829 -0.117 25790 9866 1 25 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.388 -0.182 25790 9867 1 25 . 1 1 63 63 ALA C C 63 178.922 178.922 178.452 0.470 25790 9868 1 25 . 1 1 63 63 ALA CA C 63 53.896 53.896 53.786 0.110 25790 9869 1 25 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.445 0.014 25790 9870 1 25 . 1 1 63 63 ALA H H 63 8.004 8.004 7.773 0.231 25790 9871 1 25 . 1 1 64 64 ALA N N 64 120.813 120.813 120.427 0.386 25790 9872 1 25 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.331 -0.099 25790 9873 1 25 . 1 1 64 64 ALA C C 64 178.732 178.732 178.645 0.087 25790 9874 1 25 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.777 -0.261 25790 9875 1 25 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.213 -0.583 25790 9876 1 25 . 1 1 64 64 ALA H H 64 7.837 7.837 7.494 0.343 25790 9877 1 25 . 1 1 65 65 LEU N N 65 119.196 119.196 118.866 0.330 25790 9878 1 25 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.274 -0.017 25790 9879 1 25 . 1 1 65 65 LEU C C 65 178.038 178.038 177.149 0.889 25790 9880 1 25 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.639 0.183 25790 9881 1 25 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.696 -0.432 25790 9882 1 25 . 1 1 65 65 LEU H H 65 7.765 7.765 7.441 0.324 25790 9883 1 25 . 1 1 66 66 GLN N N 66 119.365 119.365 114.240 5.125 25790 9884 1 25 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.003 0.272 25790 9885 1 25 . 1 1 66 66 GLN C C 66 176.120 176.120 176.240 -0.120 25790 9886 1 25 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.846 -0.779 25790 9887 1 25 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.323 2.809 25790 9888 1 25 . 1 1 66 66 GLN H H 66 7.967 7.967 8.268 -0.301 25790 9889 1 25 . 1 1 67 67 LYS N N 67 121.521 121.521 117.521 4.000 25790 9890 1 25 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.348 -0.039 25790 9891 1 25 . 1 1 67 67 LYS C C 67 176.437 176.437 175.820 0.617 25790 9892 1 25 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.289 0.100 25790 9893 1 25 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.153 -0.112 25790 9894 1 25 . 1 1 67 67 LYS H H 67 8.053 8.053 8.294 -0.241 25790 9895 1 25 . 1 1 68 68 GLN N N 68 121.970 121.970 118.929 3.041 25790 9896 1 25 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.520 -0.181 25790 9897 1 25 . 1 1 68 68 GLN C C 68 175.120 175.120 175.578 -0.458 25790 9898 1 25 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.376 0.624 25790 9899 1 25 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.086 0.412 25790 9900 1 25 . 1 1 68 68 GLN H H 68 8.314 8.314 8.186 0.128 25790 9901 1 26 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.578 -0.131 25790 9902 1 26 . 1 1 2 2 GLN C C 2 176.144 176.144 175.417 0.727 25790 9903 1 26 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.684 0.525 25790 9904 1 26 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.442 0.017 25790 9905 1 26 . 1 1 3 3 GLN N N 3 122.052 122.052 121.446 0.606 25790 9906 1 26 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.345 -0.022 25790 9907 1 26 . 1 1 3 3 GLN C C 3 176.988 176.988 175.708 1.280 25790 9908 1 26 . 1 1 3 3 GLN CA C 3 57.403 57.403 56.073 1.330 25790 9909 1 26 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.481 0.758 25790 9910 1 26 . 1 1 3 3 GLN H H 3 8.780 8.780 8.340 0.440 25790 9911 1 26 . 1 1 4 4 LYS N N 4 121.855 121.855 119.462 2.393 25790 9912 1 26 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.644 -0.640 25790 9913 1 26 . 1 1 4 4 LYS C C 4 177.638 177.638 177.655 -0.017 25790 9914 1 26 . 1 1 4 4 LYS CA C 4 60.239 60.239 56.975 3.264 25790 9915 1 26 . 1 1 4 4 LYS CB C 4 32.699 32.699 33.400 -0.701 25790 9916 1 26 . 1 1 4 4 LYS H H 4 8.528 8.528 8.023 0.505 25790 9917 1 26 . 1 1 5 5 GLN N N 5 116.397 116.397 119.842 -3.445 25790 9918 1 26 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.878 0.063 25790 9919 1 26 . 1 1 5 5 GLN C C 5 178.761 178.761 177.928 0.833 25790 9920 1 26 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.923 0.426 25790 9921 1 26 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.385 -0.435 25790 9922 1 26 . 1 1 5 5 GLN H H 5 8.223 8.223 8.554 -0.331 25790 9923 1 26 . 1 1 6 6 GLN N N 6 119.262 119.262 118.744 0.518 25790 9924 1 26 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.088 0.040 25790 9925 1 26 . 1 1 6 6 GLN C C 6 179.018 179.018 178.542 0.476 25790 9926 1 26 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.660 0.429 25790 9927 1 26 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.148 0.562 25790 9928 1 26 . 1 1 6 6 GLN H H 6 7.848 7.848 8.440 -0.592 25790 9929 1 26 . 1 1 7 7 ILE N N 7 121.296 121.296 120.883 0.413 25790 9930 1 26 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.658 -0.075 25790 9931 1 26 . 1 1 7 7 ILE C C 7 177.833 177.833 177.797 0.036 25790 9932 1 26 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.715 0.414 25790 9933 1 26 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.933 0.273 25790 9934 1 26 . 1 1 7 7 ILE H H 7 8.095 8.095 7.428 0.667 25790 9935 1 26 . 1 1 8 8 MET N N 8 117.603 117.603 118.677 -1.074 25790 9936 1 26 . 1 1 8 8 MET HA H 8 3.985 3.985 3.946 0.039 25790 9937 1 26 . 1 1 8 8 MET C C 8 177.355 177.355 178.289 -0.934 25790 9938 1 26 . 1 1 8 8 MET CA C 8 59.932 59.932 59.362 0.570 25790 9939 1 26 . 1 1 8 8 MET CB C 8 32.721 32.721 32.061 0.660 25790 9940 1 26 . 1 1 8 8 MET H H 8 8.672 8.672 7.613 1.059 25790 9941 1 26 . 1 1 9 9 ALA N N 9 118.774 118.774 121.194 -2.420 25790 9942 1 26 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.950 0.096 25790 9943 1 26 . 1 1 9 9 ALA C C 9 180.546 180.546 179.367 1.179 25790 9944 1 26 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.053 0.332 25790 9945 1 26 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.889 0.009 25790 9946 1 26 . 1 1 9 9 ALA H H 9 7.795 7.795 8.321 -0.526 25790 9947 1 26 . 1 1 10 10 ALA N N 10 120.854 120.854 121.416 -0.562 25790 9948 1 26 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.030 0.175 25790 9949 1 26 . 1 1 10 10 ALA C C 10 181.200 181.200 179.773 1.427 25790 9950 1 26 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.797 0.215 25790 9951 1 26 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.316 0.945 25790 9952 1 26 . 1 1 10 10 ALA H H 10 7.438 7.438 7.637 -0.199 25790 9953 1 26 . 1 1 11 11 LEU N N 11 120.775 120.775 117.834 2.941 25790 9954 1 26 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.853 -0.105 25790 9955 1 26 . 1 1 11 11 LEU C C 11 179.041 179.041 179.723 -0.682 25790 9956 1 26 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.532 0.814 25790 9957 1 26 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.688 -1.712 25790 9958 1 26 . 1 1 11 11 LEU H H 11 8.757 8.757 8.122 0.635 25790 9959 1 26 . 1 1 12 12 ASN N N 12 116.313 116.313 118.139 -1.826 25790 9960 1 26 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.532 0.032 25790 9961 1 26 . 1 1 12 12 ASN C C 12 178.900 178.900 178.191 0.709 25790 9962 1 26 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.071 -1.006 25790 9963 1 26 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.728 -0.735 25790 9964 1 26 . 1 1 12 12 ASN H H 12 8.850 8.850 8.732 0.118 25790 9965 1 26 . 1 1 13 13 SER N N 13 114.747 114.747 115.688 -0.941 25790 9966 1 26 . 1 1 13 13 SER HA H 13 4.370 4.370 4.233 0.137 25790 9967 1 26 . 1 1 13 13 SER C C 13 176.515 176.515 175.217 1.298 25790 9968 1 26 . 1 1 13 13 SER CA C 13 61.141 61.141 60.667 0.474 25790 9969 1 26 . 1 1 13 13 SER CB C 13 63.044 63.044 63.081 -0.037 25790 9970 1 26 . 1 1 13 13 SER H H 13 7.672 7.672 7.776 -0.104 25790 9971 1 26 . 1 1 14 14 GLN N N 14 119.954 119.954 117.494 2.460 25790 9972 1 26 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.181 0.037 25790 9973 1 26 . 1 1 14 14 GLN C C 14 178.208 178.208 177.013 1.195 25790 9974 1 26 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.291 0.458 25790 9975 1 26 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.714 -0.014 25790 9976 1 26 . 1 1 14 14 GLN H H 14 7.573 7.573 7.503 0.070 25790 9977 1 26 . 1 1 15 15 THR N N 15 107.493 107.493 107.388 0.105 25790 9978 1 26 . 1 1 15 15 THR HA H 15 3.899 3.899 4.272 -0.373 25790 9979 1 26 . 1 1 15 15 THR C C 15 174.683 174.683 174.583 0.100 25790 9980 1 26 . 1 1 15 15 THR CA C 15 61.551 61.551 60.812 0.738 25790 9981 1 26 . 1 1 15 15 THR CB C 15 69.226 69.226 68.840 0.386 25790 9982 1 26 . 1 1 15 15 THR H H 15 7.741 7.741 7.428 0.313 25790 9983 1 26 . 1 1 16 16 ALA N N 16 124.034 124.034 126.095 -2.061 25790 9984 1 26 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.971 0.164 25790 9985 1 26 . 1 1 16 16 ALA C C 16 179.899 179.899 178.616 1.283 25790 9986 1 26 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.592 0.615 25790 9987 1 26 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.816 0.908 25790 9988 1 26 . 1 1 16 16 ALA H H 16 6.873 6.873 7.703 -0.830 25790 9989 1 26 . 1 1 17 17 VAL N N 17 117.150 117.150 118.299 -1.149 25790 9990 1 26 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.742 -0.028 25790 9991 1 26 . 1 1 17 17 VAL C C 17 178.537 178.537 177.208 1.329 25790 9992 1 26 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.233 2.275 25790 9993 1 26 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.282 0.411 25790 9994 1 26 . 1 1 17 17 VAL H H 17 8.162 8.162 8.316 -0.154 25790 9995 1 26 . 1 1 18 18 GLN N N 18 119.489 119.489 120.784 -1.295 25790 9996 1 26 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.011 0.046 25790 9997 1 26 . 1 1 18 18 GLN C C 18 180.429 180.429 178.341 2.088 25790 9998 1 26 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.215 0.484 25790 9999 1 26 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.322 0.864 25790 10000 1 26 . 1 1 18 18 GLN H H 18 8.451 8.451 7.871 0.580 25790 10001 1 26 . 1 1 19 19 PHE N N 19 117.940 117.940 117.918 0.022 25790 10002 1 26 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.533 0.297 25790 10003 1 26 . 1 1 19 19 PHE C C 19 177.858 177.858 178.052 -0.194 25790 10004 1 26 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.354 -1.325 25790 10005 1 26 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.300 -2.395 25790 10006 1 26 . 1 1 19 19 PHE H H 19 8.924 8.924 8.555 0.369 25790 10007 1 26 . 1 1 20 20 GLN N N 20 120.297 120.297 121.305 -1.008 25790 10008 1 26 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.990 0.116 25790 10009 1 26 . 1 1 20 20 GLN C C 20 178.986 178.986 178.222 0.764 25790 10010 1 26 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.694 -0.131 25790 10011 1 26 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.664 -0.769 25790 10012 1 26 . 1 1 20 20 GLN H H 20 8.264 8.264 7.893 0.371 25790 10013 1 26 . 1 1 21 21 GLN N N 21 118.595 118.595 118.219 0.376 25790 10014 1 26 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.070 0.012 25790 10015 1 26 . 1 1 21 21 GLN C C 21 178.806 178.806 178.618 0.188 25790 10016 1 26 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.556 0.614 25790 10017 1 26 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.525 -0.329 25790 10018 1 26 . 1 1 21 21 GLN H H 21 8.527 8.527 8.391 0.136 25790 10019 1 26 . 1 1 22 22 TYR N N 22 119.594 119.594 121.422 -1.828 25790 10020 1 26 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.160 0.087 25790 10021 1 26 . 1 1 22 22 TYR C C 22 177.789 177.789 177.188 0.601 25790 10022 1 26 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.890 0.822 25790 10023 1 26 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.396 0.328 25790 10024 1 26 . 1 1 22 22 TYR H H 22 7.843 7.843 7.898 -0.055 25790 10025 1 26 . 1 1 23 23 ALA N N 23 120.663 120.663 121.183 -0.520 25790 10026 1 26 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.725 0.132 25790 10027 1 26 . 1 1 23 23 ALA C C 23 179.319 179.319 178.644 0.675 25790 10028 1 26 . 1 1 23 23 ALA CA C 23 55.589 55.589 55.028 0.562 25790 10029 1 26 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.194 0.288 25790 10030 1 26 . 1 1 23 23 ALA H H 23 8.612 8.612 8.559 0.053 25790 10031 1 26 . 1 1 24 24 ALA N N 24 119.002 119.002 118.756 0.246 25790 10032 1 26 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.123 -0.185 25790 10033 1 26 . 1 1 24 24 ALA C C 24 178.987 178.987 178.576 0.411 25790 10034 1 26 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.043 0.274 25790 10035 1 26 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.478 -0.587 25790 10036 1 26 . 1 1 24 24 ALA H H 24 8.168 8.168 7.833 0.335 25790 10037 1 26 . 1 1 25 25 GLN N N 25 115.599 115.599 116.033 -0.434 25790 10038 1 26 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.066 -0.062 25790 10039 1 26 . 1 1 25 25 GLN C C 25 177.818 177.818 177.584 0.234 25790 10040 1 26 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.876 -0.422 25790 10041 1 26 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.813 -0.358 25790 10042 1 26 . 1 1 25 25 GLN H H 25 7.300 7.300 7.516 -0.216 25790 10043 1 26 . 1 1 26 26 GLN N N 26 116.989 116.989 116.732 0.257 25790 10044 1 26 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.986 -0.282 25790 10045 1 26 . 1 1 26 26 GLN C C 26 175.979 175.979 176.205 -0.226 25790 10046 1 26 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.793 -0.005 25790 10047 1 26 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.244 -1.164 25790 10048 1 26 . 1 1 26 26 GLN H H 26 7.401 7.401 7.242 0.159 25790 10049 1 26 . 1 1 27 27 TYR N N 27 114.712 114.712 117.882 -3.170 25790 10050 1 26 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.976 0.102 25790 10051 1 26 . 1 1 27 27 TYR C C 27 172.931 172.931 173.557 -0.626 25790 10052 1 26 . 1 1 27 27 TYR CA C 27 55.167 55.167 53.989 1.178 25790 10053 1 26 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.257 1.403 25790 10054 1 26 . 1 1 27 27 TYR H H 27 7.675 7.675 8.288 -0.613 25790 10055 1 26 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.402 -0.040 25790 10056 1 26 . 1 1 28 28 PRO C C 28 179.333 179.333 177.918 1.415 25790 10057 1 26 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.697 0.697 25790 10058 1 26 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.474 -1.220 25790 10059 1 26 . 1 1 29 29 GLY N N 29 110.091 110.091 112.020 -1.929 25790 10060 1 26 . 1 1 29 29 GLY C C 29 173.218 173.218 174.107 -0.889 25790 10061 1 26 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.227 0.685 25790 10062 1 26 . 1 1 29 29 GLY H H 29 8.826 8.826 8.707 0.119 25790 10063 1 26 . 1 1 30 30 ASN N N 30 118.603 118.603 120.720 -2.117 25790 10064 1 26 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.048 -0.049 25790 10065 1 26 . 1 1 30 30 ASN C C 30 173.977 173.977 174.303 -0.326 25790 10066 1 26 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.890 -0.705 25790 10067 1 26 . 1 1 30 30 ASN CB C 30 38.426 38.426 39.042 -0.616 25790 10068 1 26 . 1 1 30 30 ASN H H 30 7.293 7.293 7.812 -0.519 25790 10069 1 26 . 1 1 31 31 TYR N N 31 125.240 125.240 125.447 -0.207 25790 10070 1 26 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.115 -0.217 25790 10071 1 26 . 1 1 31 31 TYR C C 31 177.343 177.343 176.436 0.907 25790 10072 1 26 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.219 -0.408 25790 10073 1 26 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.882 -0.525 25790 10074 1 26 . 1 1 31 31 TYR H H 31 8.509 8.509 8.657 -0.148 25790 10075 1 26 . 1 1 32 32 GLU N N 32 118.993 118.993 116.503 2.490 25790 10076 1 26 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.636 0.264 25790 10077 1 26 . 1 1 32 32 GLU C C 32 179.549 179.549 178.451 1.098 25790 10078 1 26 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.381 0.731 25790 10079 1 26 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.005 1.163 25790 10080 1 26 . 1 1 32 32 GLU H H 32 8.714 8.714 8.754 -0.040 25790 10081 1 26 . 1 1 33 33 GLN N N 33 117.037 117.037 118.654 -1.617 25790 10082 1 26 . 1 1 33 33 GLN HA H 33 3.733 3.733 4.008 -0.275 25790 10083 1 26 . 1 1 33 33 GLN C C 33 179.119 179.119 178.770 0.349 25790 10084 1 26 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.432 -0.730 25790 10085 1 26 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.629 -0.003 25790 10086 1 26 . 1 1 33 33 GLN H H 33 7.536 7.536 8.349 -0.813 25790 10087 1 26 . 1 1 34 34 GLN N N 34 117.723 117.723 119.457 -1.734 25790 10088 1 26 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.117 -0.306 25790 10089 1 26 . 1 1 34 34 GLN C C 34 177.634 177.634 178.624 -0.990 25790 10090 1 26 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.452 0.713 25790 10091 1 26 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.493 -0.992 25790 10092 1 26 . 1 1 34 34 GLN H H 34 7.968 7.968 8.134 -0.166 25790 10093 1 26 . 1 1 35 35 GLN N N 35 115.293 115.293 118.837 -3.544 25790 10094 1 26 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.043 -0.252 25790 10095 1 26 . 1 1 35 35 GLN C C 35 178.757 178.757 178.572 0.185 25790 10096 1 26 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.557 0.053 25790 10097 1 26 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.347 -0.142 25790 10098 1 26 . 1 1 35 35 GLN H H 35 7.870 7.870 7.571 0.299 25790 10099 1 26 . 1 1 36 36 ILE N N 36 120.769 120.769 120.746 0.023 25790 10100 1 26 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.662 -0.098 25790 10101 1 26 . 1 1 36 36 ILE C C 36 178.273 178.273 178.176 0.097 25790 10102 1 26 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.105 0.131 25790 10103 1 26 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.644 0.729 25790 10104 1 26 . 1 1 36 36 ILE H H 36 7.503 7.503 7.707 -0.204 25790 10105 1 26 . 1 1 37 37 LEU N N 37 121.056 121.056 121.588 -0.532 25790 10106 1 26 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.055 0.254 25790 10107 1 26 . 1 1 37 37 LEU C C 37 178.348 178.348 178.209 0.139 25790 10108 1 26 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.196 -0.462 25790 10109 1 26 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.725 -0.209 25790 10110 1 26 . 1 1 37 37 LEU H H 37 7.678 7.678 8.088 -0.410 25790 10111 1 26 . 1 1 38 38 ILE N N 38 119.334 119.334 118.955 0.379 25790 10112 1 26 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.424 -0.083 25790 10113 1 26 . 1 1 38 38 ILE C C 38 177.371 177.371 177.861 -0.490 25790 10114 1 26 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.647 1.438 25790 10115 1 26 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.516 0.833 25790 10116 1 26 . 1 1 38 38 ILE H H 38 8.702 8.702 7.739 0.963 25790 10117 1 26 . 1 1 39 39 ARG N N 39 117.798 117.798 120.304 -2.506 25790 10118 1 26 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.081 0.134 25790 10119 1 26 . 1 1 39 39 ARG C C 39 179.555 179.555 178.931 0.624 25790 10120 1 26 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.804 -0.345 25790 10121 1 26 . 1 1 39 39 ARG CB C 39 29.752 29.752 30.091 -0.339 25790 10122 1 26 . 1 1 39 39 ARG H H 39 7.739 7.739 8.278 -0.539 25790 10123 1 26 . 1 1 40 40 GLN N N 40 119.432 119.432 117.975 1.457 25790 10124 1 26 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.052 0.085 25790 10125 1 26 . 1 1 40 40 GLN C C 40 179.522 179.522 178.639 0.883 25790 10126 1 26 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.865 0.394 25790 10127 1 26 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.748 -0.390 25790 10128 1 26 . 1 1 40 40 GLN H H 40 7.811 7.811 7.700 0.111 25790 10129 1 26 . 1 1 41 41 LEU N N 41 121.592 121.592 120.237 1.355 25790 10130 1 26 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.759 -0.072 25790 10131 1 26 . 1 1 41 41 LEU C C 41 178.974 178.974 178.956 0.018 25790 10132 1 26 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.659 0.304 25790 10133 1 26 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.864 -1.012 25790 10134 1 26 . 1 1 41 41 LEU H H 41 8.648 8.648 7.963 0.685 25790 10135 1 26 . 1 1 42 42 GLN N N 42 119.054 119.054 118.329 0.725 25790 10136 1 26 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.141 0.403 25790 10137 1 26 . 1 1 42 42 GLN C C 42 180.176 180.176 178.769 1.407 25790 10138 1 26 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.341 -0.107 25790 10139 1 26 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.562 -0.642 25790 10140 1 26 . 1 1 42 42 GLN H H 42 8.641 8.641 8.563 0.078 25790 10141 1 26 . 1 1 43 43 GLU N N 43 121.517 121.517 120.627 0.890 25790 10142 1 26 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.061 0.175 25790 10143 1 26 . 1 1 43 43 GLU C C 43 179.721 179.721 178.834 0.887 25790 10144 1 26 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.785 -0.118 25790 10145 1 26 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.493 -0.235 25790 10146 1 26 . 1 1 43 43 GLU H H 43 8.111 8.111 7.793 0.318 25790 10147 1 26 . 1 1 44 44 GLN N N 44 119.240 119.240 118.050 1.190 25790 10148 1 26 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.044 0.072 25790 10149 1 26 . 1 1 44 44 GLN C C 44 179.012 179.012 178.762 0.250 25790 10150 1 26 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.565 0.584 25790 10151 1 26 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.287 0.567 25790 10152 1 26 . 1 1 44 44 GLN H H 44 8.372 8.372 7.876 0.496 25790 10153 1 26 . 1 1 45 45 HIS N N 45 121.705 121.705 120.459 1.246 25790 10154 1 26 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.322 -0.042 25790 10155 1 26 . 1 1 45 45 HIS C C 45 176.395 176.395 177.680 -1.285 25790 10156 1 26 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.987 0.372 25790 10157 1 26 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.311 2.014 25790 10158 1 26 . 1 1 45 45 HIS H H 45 9.472 9.472 8.320 1.152 25790 10159 1 26 . 1 1 46 46 TYR N N 46 119.039 119.039 120.254 -1.215 25790 10160 1 26 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.235 -0.386 25790 10161 1 26 . 1 1 46 46 TYR C C 46 176.664 176.664 177.861 -1.197 25790 10162 1 26 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.303 0.948 25790 10163 1 26 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.340 -0.668 25790 10164 1 26 . 1 1 46 46 TYR H H 46 8.253 8.253 8.551 -0.298 25790 10165 1 26 . 1 1 47 47 GLN N N 47 116.407 116.407 117.800 -1.393 25790 10166 1 26 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.667 0.117 25790 10167 1 26 . 1 1 47 47 GLN C C 47 179.048 179.048 178.323 0.725 25790 10168 1 26 . 1 1 47 47 GLN CA C 47 58.949 58.949 58.910 0.039 25790 10169 1 26 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.366 -0.185 25790 10170 1 26 . 1 1 47 47 GLN H H 47 7.814 7.814 8.400 -0.586 25790 10171 1 26 . 1 1 48 48 GLN N N 48 119.803 119.803 120.071 -0.268 25790 10172 1 26 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.998 -0.021 25790 10173 1 26 . 1 1 48 48 GLN C C 48 177.741 177.741 178.104 -0.363 25790 10174 1 26 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.837 -0.523 25790 10175 1 26 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.298 0.030 25790 10176 1 26 . 1 1 48 48 GLN H H 48 8.645 8.645 7.957 0.688 25790 10177 1 26 . 1 1 49 49 TYR N N 49 121.342 121.342 120.924 0.418 25790 10178 1 26 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.229 -0.589 25790 10179 1 26 . 1 1 49 49 TYR C C 49 176.021 176.021 177.639 -1.618 25790 10180 1 26 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.075 1.034 25790 10181 1 26 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.639 0.268 25790 10182 1 26 . 1 1 49 49 TYR H H 49 9.105 9.105 7.653 1.452 25790 10183 1 26 . 1 1 50 50 MET N N 50 115.522 115.522 117.465 -1.943 25790 10184 1 26 . 1 1 50 50 MET HA H 50 4.040 4.040 3.874 0.166 25790 10185 1 26 . 1 1 50 50 MET C C 50 179.841 179.841 178.309 1.532 25790 10186 1 26 . 1 1 50 50 MET CA C 50 56.623 56.623 57.495 -0.872 25790 10187 1 26 . 1 1 50 50 MET CB C 50 30.099 30.099 30.921 -0.822 25790 10188 1 26 . 1 1 50 50 MET H H 50 8.060 8.060 8.314 -0.254 25790 10189 1 26 . 1 1 51 51 GLN N N 51 118.942 118.942 119.113 -0.171 25790 10190 1 26 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.965 0.100 25790 10191 1 26 . 1 1 51 51 GLN C C 51 178.707 178.707 178.088 0.619 25790 10192 1 26 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.179 -0.238 25790 10193 1 26 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.400 0.089 25790 10194 1 26 . 1 1 51 51 GLN H H 51 7.830 7.830 7.852 -0.022 25790 10195 1 26 . 1 1 52 52 GLN N N 52 119.210 119.210 120.034 -0.824 25790 10196 1 26 . 1 1 52 52 GLN HA H 52 4.057 4.057 3.988 0.069 25790 10197 1 26 . 1 1 52 52 GLN C C 52 178.738 178.738 178.440 0.298 25790 10198 1 26 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.973 -0.224 25790 10199 1 26 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.512 -0.109 25790 10200 1 26 . 1 1 52 52 GLN H H 52 8.187 8.187 7.413 0.774 25790 10201 1 26 . 1 1 53 53 LEU N N 53 121.233 121.233 119.641 1.592 25790 10202 1 26 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.851 -0.010 25790 10203 1 26 . 1 1 53 53 LEU C C 53 179.191 179.191 178.780 0.411 25790 10204 1 26 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.403 0.342 25790 10205 1 26 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.797 0.069 25790 10206 1 26 . 1 1 53 53 LEU H H 53 8.441 8.441 7.695 0.746 25790 10207 1 26 . 1 1 54 54 TYR N N 54 118.505 118.505 119.486 -0.981 25790 10208 1 26 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.951 0.367 25790 10209 1 26 . 1 1 54 54 TYR C C 54 177.535 177.535 177.061 0.474 25790 10210 1 26 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.748 -1.271 25790 10211 1 26 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.885 -0.099 25790 10212 1 26 . 1 1 54 54 TYR H H 54 7.819 7.819 8.505 -0.686 25790 10213 1 26 . 1 1 55 55 GLN N N 55 117.299 117.299 117.808 -0.509 25790 10214 1 26 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.472 0.427 25790 10215 1 26 . 1 1 55 55 GLN C C 55 179.041 179.041 178.233 0.808 25790 10216 1 26 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.595 0.114 25790 10217 1 26 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.600 -0.385 25790 10218 1 26 . 1 1 55 55 GLN H H 55 7.735 7.735 7.532 0.203 25790 10219 1 26 . 1 1 56 56 VAL N N 56 120.879 120.879 121.214 -0.335 25790 10220 1 26 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.478 0.314 25790 10221 1 26 . 1 1 56 56 VAL C C 56 178.262 178.262 178.086 0.176 25790 10222 1 26 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.684 -0.742 25790 10223 1 26 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.224 0.655 25790 10224 1 26 . 1 1 56 56 VAL H H 56 8.014 8.014 8.245 -0.231 25790 10225 1 26 . 1 1 57 57 GLN N N 57 120.513 120.513 119.056 1.457 25790 10226 1 26 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.001 0.059 25790 10227 1 26 . 1 1 57 57 GLN C C 57 178.772 178.772 178.846 -0.074 25790 10228 1 26 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.001 -0.385 25790 10229 1 26 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.469 -0.484 25790 10230 1 26 . 1 1 57 57 GLN H H 57 8.103 8.103 8.082 0.021 25790 10231 1 26 . 1 1 58 58 LEU N N 58 121.244 121.244 120.070 1.174 25790 10232 1 26 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.863 0.142 25790 10233 1 26 . 1 1 58 58 LEU C C 58 179.134 179.134 178.538 0.596 25790 10234 1 26 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.525 -0.019 25790 10235 1 26 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.239 0.564 25790 10236 1 26 . 1 1 58 58 LEU H H 58 8.176 8.176 7.757 0.419 25790 10237 1 26 . 1 1 59 59 ALA N N 59 121.608 121.608 122.125 -0.517 25790 10238 1 26 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.798 0.367 25790 10239 1 26 . 1 1 59 59 ALA C C 59 180.497 180.497 179.828 0.669 25790 10240 1 26 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.144 -0.562 25790 10241 1 26 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.036 0.017 25790 10242 1 26 . 1 1 59 59 ALA H H 59 7.833 7.833 8.347 -0.514 25790 10243 1 26 . 1 1 60 60 GLN N N 60 118.335 118.335 117.243 1.092 25790 10244 1 26 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.928 0.220 25790 10245 1 26 . 1 1 60 60 GLN C C 60 178.334 178.334 178.719 -0.385 25790 10246 1 26 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.912 -0.935 25790 10247 1 26 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.804 -0.369 25790 10248 1 26 . 1 1 60 60 GLN H H 60 8.081 8.081 8.254 -0.173 25790 10249 1 26 . 1 1 61 61 GLN N N 61 120.206 120.206 119.946 0.260 25790 10250 1 26 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.020 0.142 25790 10251 1 26 . 1 1 61 61 GLN C C 61 178.002 178.002 178.355 -0.353 25790 10252 1 26 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.782 -0.877 25790 10253 1 26 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.223 0.356 25790 10254 1 26 . 1 1 61 61 GLN H H 61 8.111 8.111 7.965 0.146 25790 10255 1 26 . 1 1 62 62 GLN N N 62 118.980 118.980 119.687 -0.707 25790 10256 1 26 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.007 0.122 25790 10257 1 26 . 1 1 62 62 GLN C C 62 177.624 177.624 178.546 -0.922 25790 10258 1 26 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.543 -0.907 25790 10259 1 26 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.529 0.107 25790 10260 1 26 . 1 1 62 62 GLN H H 62 8.203 8.203 8.435 -0.232 25790 10261 1 26 . 1 1 63 63 ALA N N 63 122.712 122.712 121.801 0.911 25790 10262 1 26 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.038 0.168 25790 10263 1 26 . 1 1 63 63 ALA C C 63 178.922 178.922 178.641 0.281 25790 10264 1 26 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.613 -0.717 25790 10265 1 26 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.370 0.089 25790 10266 1 26 . 1 1 63 63 ALA H H 63 8.004 8.004 8.056 -0.052 25790 10267 1 26 . 1 1 64 64 ALA N N 64 120.813 120.813 120.245 0.568 25790 10268 1 26 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.218 0.014 25790 10269 1 26 . 1 1 64 64 ALA C C 64 178.732 178.732 179.776 -1.044 25790 10270 1 26 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.014 -0.498 25790 10271 1 26 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.253 -0.623 25790 10272 1 26 . 1 1 64 64 ALA H H 64 7.837 7.837 7.453 0.384 25790 10273 1 26 . 1 1 65 65 LEU N N 65 119.196 119.196 117.652 1.544 25790 10274 1 26 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.074 0.183 25790 10275 1 26 . 1 1 65 65 LEU C C 65 178.038 178.038 178.227 -0.189 25790 10276 1 26 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.970 -1.148 25790 10277 1 26 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.173 0.091 25790 10278 1 26 . 1 1 65 65 LEU H H 65 7.765 7.765 7.986 -0.221 25790 10279 1 26 . 1 1 66 66 GLN N N 66 119.365 119.365 115.004 4.361 25790 10280 1 26 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.444 -0.169 25790 10281 1 26 . 1 1 66 66 GLN C C 66 176.120 176.120 175.985 0.135 25790 10282 1 26 . 1 1 66 66 GLN CA C 66 56.067 56.067 55.751 0.316 25790 10283 1 26 . 1 1 66 66 GLN CB C 66 29.132 29.132 28.920 0.212 25790 10284 1 26 . 1 1 66 66 GLN H H 66 7.967 7.967 7.574 0.393 25790 10285 1 26 . 1 1 67 67 LYS N N 67 121.521 121.521 119.890 1.631 25790 10286 1 26 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.486 -0.177 25790 10287 1 26 . 1 1 67 67 LYS C C 67 176.437 176.437 175.746 0.691 25790 10288 1 26 . 1 1 67 67 LYS CA C 67 56.389 56.389 54.665 1.724 25790 10289 1 26 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.045 -0.004 25790 10290 1 26 . 1 1 67 67 LYS H H 67 8.053 8.053 7.580 0.473 25790 10291 1 26 . 1 1 68 68 GLN N N 68 121.970 121.970 118.181 3.789 25790 10292 1 26 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.019 0.320 25790 10293 1 26 . 1 1 68 68 GLN C C 68 175.120 175.120 175.938 -0.818 25790 10294 1 26 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.364 -0.364 25790 10295 1 26 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.161 3.337 25790 10296 1 26 . 1 1 68 68 GLN H H 68 8.314 8.314 8.382 -0.068 25790 10297 1 27 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.556 -0.109 25790 10298 1 27 . 1 1 2 2 GLN C C 2 176.144 176.144 176.406 -0.262 25790 10299 1 27 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.365 -0.156 25790 10300 1 27 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.511 -0.052 25790 10301 1 27 . 1 1 3 3 GLN N N 3 122.052 122.052 120.973 1.079 25790 10302 1 27 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.261 0.062 25790 10303 1 27 . 1 1 3 3 GLN C C 3 176.988 176.988 175.682 1.306 25790 10304 1 27 . 1 1 3 3 GLN CA C 3 57.403 57.403 56.347 1.056 25790 10305 1 27 . 1 1 3 3 GLN CB C 3 29.239 29.239 29.413 -0.174 25790 10306 1 27 . 1 1 3 3 GLN H H 3 8.780 8.780 8.144 0.636 25790 10307 1 27 . 1 1 4 4 LYS N N 4 121.855 121.855 123.652 -1.797 25790 10308 1 27 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.577 -0.573 25790 10309 1 27 . 1 1 4 4 LYS C C 4 177.638 177.638 178.094 -0.456 25790 10310 1 27 . 1 1 4 4 LYS CA C 4 60.239 60.239 57.491 2.748 25790 10311 1 27 . 1 1 4 4 LYS CB C 4 32.699 32.699 33.971 -1.272 25790 10312 1 27 . 1 1 4 4 LYS H H 4 8.528 8.528 8.683 -0.155 25790 10313 1 27 . 1 1 5 5 GLN N N 5 116.397 116.397 120.349 -3.952 25790 10314 1 27 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.042 -0.101 25790 10315 1 27 . 1 1 5 5 GLN C C 5 178.761 178.761 178.216 0.545 25790 10316 1 27 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.294 0.055 25790 10317 1 27 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.932 0.018 25790 10318 1 27 . 1 1 5 5 GLN H H 5 8.223 8.223 8.662 -0.439 25790 10319 1 27 . 1 1 6 6 GLN N N 6 119.262 119.262 118.141 1.121 25790 10320 1 27 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.098 0.030 25790 10321 1 27 . 1 1 6 6 GLN C C 6 179.018 179.018 178.510 0.508 25790 10322 1 27 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.874 0.215 25790 10323 1 27 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.149 0.560 25790 10324 1 27 . 1 1 6 6 GLN H H 6 7.848 7.848 8.796 -0.948 25790 10325 1 27 . 1 1 7 7 ILE N N 7 121.296 121.296 120.296 1.000 25790 10326 1 27 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.741 -0.158 25790 10327 1 27 . 1 1 7 7 ILE C C 7 177.833 177.833 177.948 -0.115 25790 10328 1 27 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.945 0.184 25790 10329 1 27 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.955 0.251 25790 10330 1 27 . 1 1 7 7 ILE H H 7 8.095 8.095 7.697 0.398 25790 10331 1 27 . 1 1 8 8 MET N N 8 117.603 117.603 118.977 -1.374 25790 10332 1 27 . 1 1 8 8 MET HA H 8 3.985 3.985 4.008 -0.023 25790 10333 1 27 . 1 1 8 8 MET C C 8 177.355 177.355 178.413 -1.058 25790 10334 1 27 . 1 1 8 8 MET CA C 8 59.932 59.932 59.406 0.526 25790 10335 1 27 . 1 1 8 8 MET CB C 8 32.721 32.721 32.109 0.612 25790 10336 1 27 . 1 1 8 8 MET H H 8 8.672 8.672 7.722 0.950 25790 10337 1 27 . 1 1 9 9 ALA N N 9 118.774 118.774 121.325 -2.551 25790 10338 1 27 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.026 0.020 25790 10339 1 27 . 1 1 9 9 ALA C C 9 180.546 180.546 179.200 1.346 25790 10340 1 27 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.005 0.380 25790 10341 1 27 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.861 0.037 25790 10342 1 27 . 1 1 9 9 ALA H H 9 7.795 7.795 8.211 -0.416 25790 10343 1 27 . 1 1 10 10 ALA N N 10 120.854 120.854 121.848 -0.994 25790 10344 1 27 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.061 0.144 25790 10345 1 27 . 1 1 10 10 ALA C C 10 181.200 181.200 179.621 1.579 25790 10346 1 27 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.769 0.243 25790 10347 1 27 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.262 0.999 25790 10348 1 27 . 1 1 10 10 ALA H H 10 7.438 7.438 7.509 -0.071 25790 10349 1 27 . 1 1 11 11 LEU N N 11 120.775 120.775 118.659 2.116 25790 10350 1 27 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.663 0.085 25790 10351 1 27 . 1 1 11 11 LEU C C 11 179.041 179.041 178.989 0.052 25790 10352 1 27 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.734 0.612 25790 10353 1 27 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.296 -1.319 25790 10354 1 27 . 1 1 11 11 LEU H H 11 8.757 8.757 8.145 0.612 25790 10355 1 27 . 1 1 12 12 ASN N N 12 116.313 116.313 117.542 -1.229 25790 10356 1 27 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.339 0.225 25790 10357 1 27 . 1 1 12 12 ASN C C 12 178.900 178.900 177.725 1.175 25790 10358 1 27 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.520 -2.455 25790 10359 1 27 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.536 -1.543 25790 10360 1 27 . 1 1 12 12 ASN H H 12 8.850 8.850 8.469 0.381 25790 10361 1 27 . 1 1 13 13 SER N N 13 114.747 114.747 115.512 -0.765 25790 10362 1 27 . 1 1 13 13 SER HA H 13 4.370 4.370 4.181 0.189 25790 10363 1 27 . 1 1 13 13 SER C C 13 176.515 176.515 176.667 -0.152 25790 10364 1 27 . 1 1 13 13 SER CA C 13 61.141 61.141 60.965 0.176 25790 10365 1 27 . 1 1 13 13 SER CB C 13 63.044 63.044 63.238 -0.194 25790 10366 1 27 . 1 1 13 13 SER H H 13 7.672 7.672 7.575 0.097 25790 10367 1 27 . 1 1 14 14 GLN N N 14 119.954 119.954 118.690 1.264 25790 10368 1 27 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.111 0.107 25790 10369 1 27 . 1 1 14 14 GLN C C 14 178.208 178.208 177.388 0.820 25790 10370 1 27 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.366 -0.617 25790 10371 1 27 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.235 -0.534 25790 10372 1 27 . 1 1 14 14 GLN H H 14 7.573 7.573 7.495 0.078 25790 10373 1 27 . 1 1 15 15 THR N N 15 107.493 107.493 106.555 0.938 25790 10374 1 27 . 1 1 15 15 THR HA H 15 3.899 3.899 4.396 -0.497 25790 10375 1 27 . 1 1 15 15 THR C C 15 174.683 174.683 174.650 0.033 25790 10376 1 27 . 1 1 15 15 THR CA C 15 61.551 61.551 60.337 1.214 25790 10377 1 27 . 1 1 15 15 THR CB C 15 69.226 69.226 69.567 -0.341 25790 10378 1 27 . 1 1 15 15 THR H H 15 7.741 7.741 7.478 0.263 25790 10379 1 27 . 1 1 16 16 ALA N N 16 124.034 124.034 126.370 -2.336 25790 10380 1 27 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.958 0.177 25790 10381 1 27 . 1 1 16 16 ALA C C 16 179.899 179.899 178.695 1.204 25790 10382 1 27 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.737 0.470 25790 10383 1 27 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.989 0.735 25790 10384 1 27 . 1 1 16 16 ALA H H 16 6.873 6.873 7.556 -0.683 25790 10385 1 27 . 1 1 17 17 VAL N N 17 117.150 117.150 117.911 -0.761 25790 10386 1 27 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.799 -0.085 25790 10387 1 27 . 1 1 17 17 VAL C C 17 178.537 178.537 177.093 1.444 25790 10388 1 27 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.531 1.977 25790 10389 1 27 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.598 0.095 25790 10390 1 27 . 1 1 17 17 VAL H H 17 8.162 8.162 8.256 -0.094 25790 10391 1 27 . 1 1 18 18 GLN N N 18 119.489 119.489 120.259 -0.770 25790 10392 1 27 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.101 -0.043 25790 10393 1 27 . 1 1 18 18 GLN C C 18 180.429 180.429 178.093 2.336 25790 10394 1 27 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.015 0.684 25790 10395 1 27 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.499 0.687 25790 10396 1 27 . 1 1 18 18 GLN H H 18 8.451 8.451 8.129 0.322 25790 10397 1 27 . 1 1 19 19 PHE N N 19 117.940 117.940 117.817 0.123 25790 10398 1 27 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.539 0.291 25790 10399 1 27 . 1 1 19 19 PHE C C 19 177.858 177.858 178.036 -0.178 25790 10400 1 27 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.109 -1.080 25790 10401 1 27 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.289 -2.384 25790 10402 1 27 . 1 1 19 19 PHE H H 19 8.924 8.924 8.647 0.277 25790 10403 1 27 . 1 1 20 20 GLN N N 20 120.297 120.297 120.693 -0.396 25790 10404 1 27 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.010 0.096 25790 10405 1 27 . 1 1 20 20 GLN C C 20 178.986 178.986 178.234 0.752 25790 10406 1 27 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.840 -0.277 25790 10407 1 27 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.539 -0.644 25790 10408 1 27 . 1 1 20 20 GLN H H 20 8.264 8.264 7.933 0.331 25790 10409 1 27 . 1 1 21 21 GLN N N 21 118.595 118.595 118.560 0.035 25790 10410 1 27 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.027 0.055 25790 10411 1 27 . 1 1 21 21 GLN C C 21 178.806 178.806 178.677 0.129 25790 10412 1 27 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.891 0.279 25790 10413 1 27 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.793 -0.597 25790 10414 1 27 . 1 1 21 21 GLN H H 21 8.527 8.527 8.204 0.323 25790 10415 1 27 . 1 1 22 22 TYR N N 22 119.594 119.594 121.382 -1.788 25790 10416 1 27 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.232 0.015 25790 10417 1 27 . 1 1 22 22 TYR C C 22 177.789 177.789 177.166 0.623 25790 10418 1 27 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.868 0.844 25790 10419 1 27 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.556 0.168 25790 10420 1 27 . 1 1 22 22 TYR H H 22 7.843 7.843 7.802 0.041 25790 10421 1 27 . 1 1 23 23 ALA N N 23 120.663 120.663 120.605 0.058 25790 10422 1 27 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.760 0.097 25790 10423 1 27 . 1 1 23 23 ALA C C 23 179.319 179.319 179.080 0.239 25790 10424 1 27 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.639 0.950 25790 10425 1 27 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.074 0.408 25790 10426 1 27 . 1 1 23 23 ALA H H 23 8.612 8.612 8.507 0.105 25790 10427 1 27 . 1 1 24 24 ALA N N 24 119.002 119.002 120.330 -1.328 25790 10428 1 27 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.063 -0.125 25790 10429 1 27 . 1 1 24 24 ALA C C 24 178.987 178.987 178.998 -0.011 25790 10430 1 27 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.173 0.144 25790 10431 1 27 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.406 -0.515 25790 10432 1 27 . 1 1 24 24 ALA H H 24 8.168 8.168 8.053 0.115 25790 10433 1 27 . 1 1 25 25 GLN N N 25 115.599 115.599 115.964 -0.365 25790 10434 1 27 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.044 -0.040 25790 10435 1 27 . 1 1 25 25 GLN C C 25 177.818 177.818 177.557 0.261 25790 10436 1 27 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.903 -0.449 25790 10437 1 27 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.828 -0.373 25790 10438 1 27 . 1 1 25 25 GLN H H 25 7.300 7.300 7.543 -0.243 25790 10439 1 27 . 1 1 26 26 GLN N N 26 116.989 116.989 116.511 0.478 25790 10440 1 27 . 1 1 26 26 GLN HA H 26 3.704 3.704 4.030 -0.326 25790 10441 1 27 . 1 1 26 26 GLN C C 26 175.979 175.979 176.188 -0.209 25790 10442 1 27 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.727 0.061 25790 10443 1 27 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.449 -1.369 25790 10444 1 27 . 1 1 26 26 GLN H H 26 7.401 7.401 7.234 0.167 25790 10445 1 27 . 1 1 27 27 TYR N N 27 114.712 114.712 118.065 -3.353 25790 10446 1 27 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.963 0.115 25790 10447 1 27 . 1 1 27 27 TYR C C 27 172.931 172.931 173.518 -0.587 25790 10448 1 27 . 1 1 27 27 TYR CA C 27 55.167 55.167 53.745 1.423 25790 10449 1 27 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.263 1.397 25790 10450 1 27 . 1 1 27 27 TYR H H 27 7.675 7.675 8.154 -0.479 25790 10451 1 27 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.572 -0.210 25790 10452 1 27 . 1 1 28 28 PRO C C 28 179.333 179.333 178.063 1.270 25790 10453 1 27 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.842 0.552 25790 10454 1 27 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.157 -0.903 25790 10455 1 27 . 1 1 29 29 GLY N N 29 110.091 110.091 112.087 -1.996 25790 10456 1 27 . 1 1 29 29 GLY C C 29 173.218 173.218 174.137 -0.919 25790 10457 1 27 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.338 0.574 25790 10458 1 27 . 1 1 29 29 GLY H H 29 8.826 8.826 8.887 -0.061 25790 10459 1 27 . 1 1 30 30 ASN N N 30 118.603 118.603 120.033 -1.430 25790 10460 1 27 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.085 -0.086 25790 10461 1 27 . 1 1 30 30 ASN C C 30 173.977 173.977 174.150 -0.173 25790 10462 1 27 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.936 -0.751 25790 10463 1 27 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.700 -0.274 25790 10464 1 27 . 1 1 30 30 ASN H H 30 7.293 7.293 7.791 -0.498 25790 10465 1 27 . 1 1 31 31 TYR N N 31 125.240 125.240 125.768 -0.528 25790 10466 1 27 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.325 -0.427 25790 10467 1 27 . 1 1 31 31 TYR C C 31 177.343 177.343 176.625 0.718 25790 10468 1 27 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.252 -0.441 25790 10469 1 27 . 1 1 31 31 TYR CB C 31 38.357 38.357 39.009 -0.652 25790 10470 1 27 . 1 1 31 31 TYR H H 31 8.509 8.509 8.647 -0.138 25790 10471 1 27 . 1 1 32 32 GLU N N 32 118.993 118.993 118.535 0.458 25790 10472 1 27 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.748 0.152 25790 10473 1 27 . 1 1 32 32 GLU C C 32 179.549 179.549 178.742 0.807 25790 10474 1 27 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.119 0.993 25790 10475 1 27 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.239 0.929 25790 10476 1 27 . 1 1 32 32 GLU H H 32 8.714 8.714 8.936 -0.222 25790 10477 1 27 . 1 1 33 33 GLN N N 33 117.037 117.037 118.983 -1.946 25790 10478 1 27 . 1 1 33 33 GLN HA H 33 3.733 3.733 4.013 -0.280 25790 10479 1 27 . 1 1 33 33 GLN C C 33 179.119 179.119 178.787 0.332 25790 10480 1 27 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.288 -0.586 25790 10481 1 27 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.348 0.278 25790 10482 1 27 . 1 1 33 33 GLN H H 33 7.536 7.536 8.138 -0.602 25790 10483 1 27 . 1 1 34 34 GLN N N 34 117.723 117.723 119.844 -2.121 25790 10484 1 27 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.110 -0.299 25790 10485 1 27 . 1 1 34 34 GLN C C 34 177.634 177.634 178.609 -0.975 25790 10486 1 27 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.586 0.579 25790 10487 1 27 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.456 -0.955 25790 10488 1 27 . 1 1 34 34 GLN H H 34 7.968 7.968 8.343 -0.375 25790 10489 1 27 . 1 1 35 35 GLN N N 35 115.293 115.293 118.682 -3.389 25790 10490 1 27 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.007 -0.216 25790 10491 1 27 . 1 1 35 35 GLN C C 35 178.757 178.757 178.594 0.163 25790 10492 1 27 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.429 0.181 25790 10493 1 27 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.140 0.065 25790 10494 1 27 . 1 1 35 35 GLN H H 35 7.870 7.870 7.554 0.316 25790 10495 1 27 . 1 1 36 36 ILE N N 36 120.769 120.769 120.732 0.037 25790 10496 1 27 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.664 -0.100 25790 10497 1 27 . 1 1 36 36 ILE C C 36 178.273 178.273 178.255 0.018 25790 10498 1 27 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.059 0.177 25790 10499 1 27 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.784 0.589 25790 10500 1 27 . 1 1 36 36 ILE H H 36 7.503 7.503 7.540 -0.037 25790 10501 1 27 . 1 1 37 37 LEU N N 37 121.056 121.056 121.373 -0.317 25790 10502 1 27 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.033 0.276 25790 10503 1 27 . 1 1 37 37 LEU C C 37 178.348 178.348 178.307 0.041 25790 10504 1 27 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.147 -0.413 25790 10505 1 27 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.737 -0.221 25790 10506 1 27 . 1 1 37 37 LEU H H 37 7.678 7.678 8.115 -0.437 25790 10507 1 27 . 1 1 38 38 ILE N N 38 119.334 119.334 119.346 -0.012 25790 10508 1 27 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.522 -0.181 25790 10509 1 27 . 1 1 38 38 ILE C C 38 177.371 177.371 177.851 -0.480 25790 10510 1 27 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.601 1.484 25790 10511 1 27 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.529 0.820 25790 10512 1 27 . 1 1 38 38 ILE H H 38 8.702 8.702 8.213 0.489 25790 10513 1 27 . 1 1 39 39 ARG N N 39 117.798 117.798 118.890 -1.092 25790 10514 1 27 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.978 0.237 25790 10515 1 27 . 1 1 39 39 ARG C C 39 179.555 179.555 178.868 0.687 25790 10516 1 27 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.560 -0.101 25790 10517 1 27 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.660 0.092 25790 10518 1 27 . 1 1 39 39 ARG H H 39 7.739 7.739 8.238 -0.499 25790 10519 1 27 . 1 1 40 40 GLN N N 40 119.432 119.432 118.673 0.759 25790 10520 1 27 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.167 -0.030 25790 10521 1 27 . 1 1 40 40 GLN C C 40 179.522 179.522 178.454 1.068 25790 10522 1 27 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.719 0.541 25790 10523 1 27 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.782 -0.424 25790 10524 1 27 . 1 1 40 40 GLN H H 40 7.811 7.811 7.636 0.175 25790 10525 1 27 . 1 1 41 41 LEU N N 41 121.592 121.592 120.873 0.719 25790 10526 1 27 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.760 -0.073 25790 10527 1 27 . 1 1 41 41 LEU C C 41 178.974 178.974 179.260 -0.286 25790 10528 1 27 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.878 0.085 25790 10529 1 27 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.953 -1.101 25790 10530 1 27 . 1 1 41 41 LEU H H 41 8.648 8.648 8.302 0.346 25790 10531 1 27 . 1 1 42 42 GLN N N 42 119.054 119.054 117.030 2.024 25790 10532 1 27 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.220 0.324 25790 10533 1 27 . 1 1 42 42 GLN C C 42 180.176 180.176 178.702 1.474 25790 10534 1 27 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.059 0.175 25790 10535 1 27 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.234 -0.314 25790 10536 1 27 . 1 1 42 42 GLN H H 42 8.641 8.641 8.304 0.337 25790 10537 1 27 . 1 1 43 43 GLU N N 43 121.517 121.517 119.923 1.594 25790 10538 1 27 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.185 0.051 25790 10539 1 27 . 1 1 43 43 GLU C C 43 179.721 179.721 179.117 0.604 25790 10540 1 27 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.123 0.544 25790 10541 1 27 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.345 -0.087 25790 10542 1 27 . 1 1 43 43 GLU H H 43 8.111 8.111 7.710 0.401 25790 10543 1 27 . 1 1 44 44 GLN N N 44 119.240 119.240 118.309 0.931 25790 10544 1 27 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.097 0.019 25790 10545 1 27 . 1 1 44 44 GLN C C 44 179.012 179.012 178.628 0.384 25790 10546 1 27 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.622 0.527 25790 10547 1 27 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.551 0.303 25790 10548 1 27 . 1 1 44 44 GLN H H 44 8.372 8.372 8.319 0.053 25790 10549 1 27 . 1 1 45 45 HIS N N 45 121.705 121.705 120.681 1.024 25790 10550 1 27 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.332 -0.052 25790 10551 1 27 . 1 1 45 45 HIS C C 45 176.395 176.395 177.276 -0.881 25790 10552 1 27 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.641 0.719 25790 10553 1 27 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.180 2.145 25790 10554 1 27 . 1 1 45 45 HIS H H 45 9.472 9.472 8.344 1.128 25790 10555 1 27 . 1 1 46 46 TYR N N 46 119.039 119.039 120.661 -1.622 25790 10556 1 27 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.270 -0.421 25790 10557 1 27 . 1 1 46 46 TYR C C 46 176.664 176.664 177.769 -1.105 25790 10558 1 27 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.812 0.439 25790 10559 1 27 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.453 -0.781 25790 10560 1 27 . 1 1 46 46 TYR H H 46 8.253 8.253 8.437 -0.184 25790 10561 1 27 . 1 1 47 47 GLN N N 47 116.407 116.407 118.548 -2.141 25790 10562 1 27 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.980 -0.196 25790 10563 1 27 . 1 1 47 47 GLN C C 47 179.048 179.048 178.295 0.753 25790 10564 1 27 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.078 -0.129 25790 10565 1 27 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.182 -0.001 25790 10566 1 27 . 1 1 47 47 GLN H H 47 7.814 7.814 7.974 -0.160 25790 10567 1 27 . 1 1 48 48 GLN N N 48 119.803 119.803 119.776 0.027 25790 10568 1 27 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.979 -0.002 25790 10569 1 27 . 1 1 48 48 GLN C C 48 177.741 177.741 178.151 -0.410 25790 10570 1 27 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.893 -0.579 25790 10571 1 27 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.627 -0.299 25790 10572 1 27 . 1 1 48 48 GLN H H 48 8.645 8.645 7.600 1.045 25790 10573 1 27 . 1 1 49 49 TYR N N 49 121.342 121.342 121.354 -0.012 25790 10574 1 27 . 1 1 49 49 TYR HA H 49 3.640 3.640 3.968 -0.328 25790 10575 1 27 . 1 1 49 49 TYR C C 49 176.021 176.021 177.573 -1.552 25790 10576 1 27 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.992 0.117 25790 10577 1 27 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.401 0.506 25790 10578 1 27 . 1 1 49 49 TYR H H 49 9.105 9.105 8.392 0.713 25790 10579 1 27 . 1 1 50 50 MET N N 50 115.522 115.522 118.211 -2.689 25790 10580 1 27 . 1 1 50 50 MET HA H 50 4.040 4.040 3.870 0.170 25790 10581 1 27 . 1 1 50 50 MET C C 50 179.841 179.841 178.057 1.784 25790 10582 1 27 . 1 1 50 50 MET CA C 50 56.623 56.623 58.712 -2.089 25790 10583 1 27 . 1 1 50 50 MET CB C 50 30.099 30.099 32.398 -2.299 25790 10584 1 27 . 1 1 50 50 MET H H 50 8.060 8.060 8.307 -0.247 25790 10585 1 27 . 1 1 51 51 GLN N N 51 118.942 118.942 118.029 0.913 25790 10586 1 27 . 1 1 51 51 GLN HA H 51 4.065 4.065 4.023 0.042 25790 10587 1 27 . 1 1 51 51 GLN C C 51 178.707 178.707 178.426 0.281 25790 10588 1 27 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.083 -0.142 25790 10589 1 27 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.545 -0.056 25790 10590 1 27 . 1 1 51 51 GLN H H 51 7.830 7.830 7.993 -0.163 25790 10591 1 27 . 1 1 52 52 GLN N N 52 119.210 119.210 120.675 -1.465 25790 10592 1 27 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.066 -0.009 25790 10593 1 27 . 1 1 52 52 GLN C C 52 178.738 178.738 178.412 0.326 25790 10594 1 27 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.636 0.113 25790 10595 1 27 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.235 0.168 25790 10596 1 27 . 1 1 52 52 GLN H H 52 8.187 8.187 8.095 0.092 25790 10597 1 27 . 1 1 53 53 LEU N N 53 121.233 121.233 119.822 1.411 25790 10598 1 27 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.825 0.016 25790 10599 1 27 . 1 1 53 53 LEU C C 53 179.191 179.191 178.715 0.476 25790 10600 1 27 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.556 0.189 25790 10601 1 27 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.563 0.303 25790 10602 1 27 . 1 1 53 53 LEU H H 53 8.441 8.441 8.075 0.366 25790 10603 1 27 . 1 1 54 54 TYR N N 54 118.505 118.505 119.144 -0.639 25790 10604 1 27 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.981 0.337 25790 10605 1 27 . 1 1 54 54 TYR C C 54 177.535 177.535 177.059 0.476 25790 10606 1 27 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.341 -0.864 25790 10607 1 27 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.939 -0.153 25790 10608 1 27 . 1 1 54 54 TYR H H 54 7.819 7.819 7.832 -0.013 25790 10609 1 27 . 1 1 55 55 GLN N N 55 117.299 117.299 118.165 -0.866 25790 10610 1 27 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.506 0.393 25790 10611 1 27 . 1 1 55 55 GLN C C 55 179.041 179.041 178.138 0.903 25790 10612 1 27 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.442 0.267 25790 10613 1 27 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.520 -0.305 25790 10614 1 27 . 1 1 55 55 GLN H H 55 7.735 7.735 7.615 0.120 25790 10615 1 27 . 1 1 56 56 VAL N N 56 120.879 120.879 121.042 -0.163 25790 10616 1 27 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.569 0.223 25790 10617 1 27 . 1 1 56 56 VAL C C 56 178.262 178.262 177.934 0.328 25790 10618 1 27 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.730 -0.788 25790 10619 1 27 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.133 0.746 25790 10620 1 27 . 1 1 56 56 VAL H H 56 8.014 8.014 7.906 0.108 25790 10621 1 27 . 1 1 57 57 GLN N N 57 120.513 120.513 119.542 0.971 25790 10622 1 27 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.953 0.107 25790 10623 1 27 . 1 1 57 57 GLN C C 57 178.772 178.772 178.763 0.009 25790 10624 1 27 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.564 -0.948 25790 10625 1 27 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.593 -0.608 25790 10626 1 27 . 1 1 57 57 GLN H H 57 8.103 8.103 7.932 0.171 25790 10627 1 27 . 1 1 58 58 LEU N N 58 121.244 121.244 119.611 1.633 25790 10628 1 27 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.926 0.079 25790 10629 1 27 . 1 1 58 58 LEU C C 58 179.134 179.134 178.468 0.666 25790 10630 1 27 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.398 0.108 25790 10631 1 27 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.391 0.412 25790 10632 1 27 . 1 1 58 58 LEU H H 58 8.176 8.176 7.668 0.508 25790 10633 1 27 . 1 1 59 59 ALA N N 59 121.608 121.608 121.835 -0.227 25790 10634 1 27 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.875 0.290 25790 10635 1 27 . 1 1 59 59 ALA C C 59 180.497 180.497 179.875 0.622 25790 10636 1 27 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.225 -0.643 25790 10637 1 27 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.972 0.081 25790 10638 1 27 . 1 1 59 59 ALA H H 59 7.833 7.833 8.180 -0.347 25790 10639 1 27 . 1 1 60 60 GLN N N 60 118.335 118.335 117.439 0.896 25790 10640 1 27 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.977 0.171 25790 10641 1 27 . 1 1 60 60 GLN C C 60 178.334 178.334 178.877 -0.543 25790 10642 1 27 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.883 -0.906 25790 10643 1 27 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.718 -0.283 25790 10644 1 27 . 1 1 60 60 GLN H H 60 8.081 8.081 8.108 -0.027 25790 10645 1 27 . 1 1 61 61 GLN N N 61 120.206 120.206 119.064 1.142 25790 10646 1 27 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.967 0.195 25790 10647 1 27 . 1 1 61 61 GLN C C 61 178.002 178.002 178.446 -0.444 25790 10648 1 27 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.232 -1.327 25790 10649 1 27 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.698 -0.119 25790 10650 1 27 . 1 1 61 61 GLN H H 61 8.111 8.111 8.231 -0.120 25790 10651 1 27 . 1 1 62 62 GLN N N 62 118.980 118.980 118.854 0.126 25790 10652 1 27 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.054 0.075 25790 10653 1 27 . 1 1 62 62 GLN C C 62 177.624 177.624 178.060 -0.436 25790 10654 1 27 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.675 -1.039 25790 10655 1 27 . 1 1 62 62 GLN CB C 62 28.636 28.636 27.808 0.828 25790 10656 1 27 . 1 1 62 62 GLN H H 62 8.203 8.203 8.545 -0.342 25790 10657 1 27 . 1 1 63 63 ALA N N 63 122.712 122.712 122.233 0.479 25790 10658 1 27 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.392 -0.186 25790 10659 1 27 . 1 1 63 63 ALA C C 63 178.922 178.922 178.507 0.415 25790 10660 1 27 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.067 -0.171 25790 10661 1 27 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.360 0.099 25790 10662 1 27 . 1 1 63 63 ALA H H 63 8.004 8.004 7.933 0.071 25790 10663 1 27 . 1 1 64 64 ALA N N 64 120.813 120.813 120.924 -0.111 25790 10664 1 27 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.157 0.075 25790 10665 1 27 . 1 1 64 64 ALA C C 64 178.732 178.732 178.850 -0.118 25790 10666 1 27 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.912 -0.396 25790 10667 1 27 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.305 -0.675 25790 10668 1 27 . 1 1 64 64 ALA H H 64 7.837 7.837 7.548 0.289 25790 10669 1 27 . 1 1 65 65 LEU N N 65 119.196 119.196 117.926 1.270 25790 10670 1 27 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.188 0.069 25790 10671 1 27 . 1 1 65 65 LEU C C 65 178.038 178.038 177.548 0.490 25790 10672 1 27 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.723 0.099 25790 10673 1 27 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.668 -0.404 25790 10674 1 27 . 1 1 65 65 LEU H H 65 7.765 7.765 7.662 0.103 25790 10675 1 27 . 1 1 66 66 GLN N N 66 119.365 119.365 114.222 5.143 25790 10676 1 27 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.966 0.309 25790 10677 1 27 . 1 1 66 66 GLN C C 66 176.120 176.120 175.571 0.549 25790 10678 1 27 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.078 -1.011 25790 10679 1 27 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.037 3.095 25790 10680 1 27 . 1 1 66 66 GLN H H 66 7.967 7.967 8.238 -0.271 25790 10681 1 27 . 1 1 67 67 LYS N N 67 121.521 121.521 118.209 3.312 25790 10682 1 27 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.441 -0.132 25790 10683 1 27 . 1 1 67 67 LYS C C 67 176.437 176.437 175.868 0.569 25790 10684 1 27 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.809 0.581 25790 10685 1 27 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.990 0.051 25790 10686 1 27 . 1 1 67 67 LYS H H 67 8.053 8.053 8.218 -0.165 25790 10687 1 27 . 1 1 68 68 GLN N N 68 121.970 121.970 118.563 3.407 25790 10688 1 27 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.350 -0.011 25790 10689 1 27 . 1 1 68 68 GLN C C 68 175.120 175.120 175.768 -0.648 25790 10690 1 27 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.655 0.345 25790 10691 1 27 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.535 2.963 25790 10692 1 27 . 1 1 68 68 GLN H H 68 8.314 8.314 8.403 -0.089 25790 10693 1 28 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.287 0.160 25790 10694 1 28 . 1 1 2 2 GLN C C 2 176.144 176.144 175.898 0.246 25790 10695 1 28 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.341 -0.132 25790 10696 1 28 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.166 0.293 25790 10697 1 28 . 1 1 3 3 GLN N N 3 122.052 122.052 119.334 2.718 25790 10698 1 28 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.232 0.091 25790 10699 1 28 . 1 1 3 3 GLN C C 3 176.988 176.988 177.080 -0.092 25790 10700 1 28 . 1 1 3 3 GLN CA C 3 57.403 57.403 56.096 1.307 25790 10701 1 28 . 1 1 3 3 GLN CB C 3 29.239 29.239 29.164 0.075 25790 10702 1 28 . 1 1 3 3 GLN H H 3 8.780 8.780 8.206 0.574 25790 10703 1 28 . 1 1 4 4 LYS N N 4 121.855 121.855 123.874 -2.019 25790 10704 1 28 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.055 -0.051 25790 10705 1 28 . 1 1 4 4 LYS C C 4 177.638 177.638 178.570 -0.932 25790 10706 1 28 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.568 0.671 25790 10707 1 28 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.518 0.181 25790 10708 1 28 . 1 1 4 4 LYS H H 4 8.528 8.528 8.728 -0.200 25790 10709 1 28 . 1 1 5 5 GLN N N 5 116.397 116.397 118.194 -1.797 25790 10710 1 28 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.917 0.024 25790 10711 1 28 . 1 1 5 5 GLN C C 5 178.761 178.761 177.990 0.771 25790 10712 1 28 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.855 0.494 25790 10713 1 28 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.062 -0.112 25790 10714 1 28 . 1 1 5 5 GLN H H 5 8.223 8.223 8.437 -0.214 25790 10715 1 28 . 1 1 6 6 GLN N N 6 119.262 119.262 117.894 1.368 25790 10716 1 28 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.044 0.084 25790 10717 1 28 . 1 1 6 6 GLN C C 6 179.018 179.018 178.603 0.415 25790 10718 1 28 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.393 0.696 25790 10719 1 28 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.050 0.660 25790 10720 1 28 . 1 1 6 6 GLN H H 6 7.848 7.848 7.943 -0.095 25790 10721 1 28 . 1 1 7 7 ILE N N 7 121.296 121.296 120.458 0.838 25790 10722 1 28 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.665 -0.082 25790 10723 1 28 . 1 1 7 7 ILE C C 7 177.833 177.833 177.933 -0.100 25790 10724 1 28 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.974 0.155 25790 10725 1 28 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.767 0.439 25790 10726 1 28 . 1 1 7 7 ILE H H 7 8.095 8.095 7.437 0.658 25790 10727 1 28 . 1 1 8 8 MET N N 8 117.603 117.603 118.413 -0.810 25790 10728 1 28 . 1 1 8 8 MET HA H 8 3.985 3.985 3.857 0.128 25790 10729 1 28 . 1 1 8 8 MET C C 8 177.355 177.355 178.365 -1.010 25790 10730 1 28 . 1 1 8 8 MET CA C 8 59.932 59.932 59.036 0.896 25790 10731 1 28 . 1 1 8 8 MET CB C 8 32.721 32.721 31.918 0.803 25790 10732 1 28 . 1 1 8 8 MET H H 8 8.672 8.672 7.516 1.156 25790 10733 1 28 . 1 1 9 9 ALA N N 9 118.774 118.774 121.851 -3.077 25790 10734 1 28 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.988 0.058 25790 10735 1 28 . 1 1 9 9 ALA C C 9 180.546 180.546 178.963 1.583 25790 10736 1 28 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.135 0.250 25790 10737 1 28 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.803 0.095 25790 10738 1 28 . 1 1 9 9 ALA H H 9 7.795 7.795 8.440 -0.645 25790 10739 1 28 . 1 1 10 10 ALA N N 10 120.854 120.854 121.849 -0.995 25790 10740 1 28 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.020 0.185 25790 10741 1 28 . 1 1 10 10 ALA C C 10 181.200 181.200 179.403 1.797 25790 10742 1 28 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.738 0.274 25790 10743 1 28 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.401 0.861 25790 10744 1 28 . 1 1 10 10 ALA H H 10 7.438 7.438 7.416 0.022 25790 10745 1 28 . 1 1 11 11 LEU N N 11 120.775 120.775 119.544 1.231 25790 10746 1 28 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.879 -0.131 25790 10747 1 28 . 1 1 11 11 LEU C C 11 179.041 179.041 179.409 -0.368 25790 10748 1 28 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.533 0.813 25790 10749 1 28 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.333 -1.356 25790 10750 1 28 . 1 1 11 11 LEU H H 11 8.757 8.757 8.175 0.582 25790 10751 1 28 . 1 1 12 12 ASN N N 12 116.313 116.313 117.189 -0.876 25790 10752 1 28 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.353 0.211 25790 10753 1 28 . 1 1 12 12 ASN C C 12 178.900 178.900 177.312 1.588 25790 10754 1 28 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.567 -2.502 25790 10755 1 28 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.453 -1.460 25790 10756 1 28 . 1 1 12 12 ASN H H 12 8.850 8.850 8.490 0.360 25790 10757 1 28 . 1 1 13 13 SER N N 13 114.747 114.747 115.711 -0.964 25790 10758 1 28 . 1 1 13 13 SER HA H 13 4.370 4.370 4.283 0.087 25790 10759 1 28 . 1 1 13 13 SER C C 13 176.515 176.515 176.935 -0.420 25790 10760 1 28 . 1 1 13 13 SER CA C 13 61.141 61.141 61.271 -0.130 25790 10761 1 28 . 1 1 13 13 SER CB C 13 63.044 63.044 63.188 -0.144 25790 10762 1 28 . 1 1 13 13 SER H H 13 7.672 7.672 7.640 0.032 25790 10763 1 28 . 1 1 14 14 GLN N N 14 119.954 119.954 120.895 -0.941 25790 10764 1 28 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.085 0.133 25790 10765 1 28 . 1 1 14 14 GLN C C 14 178.208 178.208 177.587 0.621 25790 10766 1 28 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.547 -0.798 25790 10767 1 28 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.226 -0.526 25790 10768 1 28 . 1 1 14 14 GLN H H 14 7.573 7.573 8.085 -0.512 25790 10769 1 28 . 1 1 15 15 THR N N 15 107.493 107.493 106.507 0.986 25790 10770 1 28 . 1 1 15 15 THR HA H 15 3.899 3.899 4.570 -0.671 25790 10771 1 28 . 1 1 15 15 THR C C 15 174.683 174.683 174.304 0.379 25790 10772 1 28 . 1 1 15 15 THR CA C 15 61.551 61.551 60.193 1.359 25790 10773 1 28 . 1 1 15 15 THR CB C 15 69.226 69.226 69.306 -0.080 25790 10774 1 28 . 1 1 15 15 THR H H 15 7.741 7.741 7.901 -0.160 25790 10775 1 28 . 1 1 16 16 ALA N N 16 124.034 124.034 126.297 -2.263 25790 10776 1 28 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.929 0.206 25790 10777 1 28 . 1 1 16 16 ALA C C 16 179.899 179.899 178.516 1.383 25790 10778 1 28 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.458 0.749 25790 10779 1 28 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.127 0.597 25790 10780 1 28 . 1 1 16 16 ALA H H 16 6.873 6.873 7.276 -0.403 25790 10781 1 28 . 1 1 17 17 VAL N N 17 117.150 117.150 118.562 -1.412 25790 10782 1 28 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.740 -0.026 25790 10783 1 28 . 1 1 17 17 VAL C C 17 178.537 178.537 177.187 1.350 25790 10784 1 28 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.580 1.928 25790 10785 1 28 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.416 0.277 25790 10786 1 28 . 1 1 17 17 VAL H H 17 8.162 8.162 8.260 -0.098 25790 10787 1 28 . 1 1 18 18 GLN N N 18 119.489 119.489 120.168 -0.679 25790 10788 1 28 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.090 -0.033 25790 10789 1 28 . 1 1 18 18 GLN C C 18 180.429 180.429 178.467 1.962 25790 10790 1 28 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.082 0.617 25790 10791 1 28 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.490 0.696 25790 10792 1 28 . 1 1 18 18 GLN H H 18 8.451 8.451 8.139 0.312 25790 10793 1 28 . 1 1 19 19 PHE N N 19 117.940 117.940 116.641 1.299 25790 10794 1 28 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.622 0.208 25790 10795 1 28 . 1 1 19 19 PHE C C 19 177.858 177.858 177.888 -0.030 25790 10796 1 28 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.341 -0.312 25790 10797 1 28 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.801 -2.896 25790 10798 1 28 . 1 1 19 19 PHE H H 19 8.924 8.924 8.300 0.624 25790 10799 1 28 . 1 1 20 20 GLN N N 20 120.297 120.297 120.847 -0.550 25790 10800 1 28 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.977 0.129 25790 10801 1 28 . 1 1 20 20 GLN C C 20 178.986 178.986 178.014 0.972 25790 10802 1 28 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.553 0.010 25790 10803 1 28 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.415 -0.520 25790 10804 1 28 . 1 1 20 20 GLN H H 20 8.264 8.264 7.884 0.380 25790 10805 1 28 . 1 1 21 21 GLN N N 21 118.595 118.595 118.228 0.367 25790 10806 1 28 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.018 0.064 25790 10807 1 28 . 1 1 21 21 GLN C C 21 178.806 178.806 178.628 0.178 25790 10808 1 28 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.791 0.379 25790 10809 1 28 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.576 -0.380 25790 10810 1 28 . 1 1 21 21 GLN H H 21 8.527 8.527 7.989 0.538 25790 10811 1 28 . 1 1 22 22 TYR N N 22 119.594 119.594 121.035 -1.441 25790 10812 1 28 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.366 -0.119 25790 10813 1 28 . 1 1 22 22 TYR C C 22 177.789 177.789 176.975 0.814 25790 10814 1 28 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.077 1.635 25790 10815 1 28 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.523 0.202 25790 10816 1 28 . 1 1 22 22 TYR H H 22 7.843 7.843 7.738 0.105 25790 10817 1 28 . 1 1 23 23 ALA N N 23 120.663 120.663 121.836 -1.173 25790 10818 1 28 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.733 0.124 25790 10819 1 28 . 1 1 23 23 ALA C C 23 179.319 179.319 178.592 0.727 25790 10820 1 28 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.901 0.688 25790 10821 1 28 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.287 0.195 25790 10822 1 28 . 1 1 23 23 ALA H H 23 8.612 8.612 7.940 0.672 25790 10823 1 28 . 1 1 24 24 ALA N N 24 119.002 119.002 119.797 -0.795 25790 10824 1 28 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.137 -0.199 25790 10825 1 28 . 1 1 24 24 ALA C C 24 178.987 178.987 178.632 0.355 25790 10826 1 28 . 1 1 24 24 ALA CA C 24 54.317 54.317 53.950 0.367 25790 10827 1 28 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.492 -0.601 25790 10828 1 28 . 1 1 24 24 ALA H H 24 8.168 8.168 8.217 -0.049 25790 10829 1 28 . 1 1 25 25 GLN N N 25 115.599 115.599 116.518 -0.919 25790 10830 1 28 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.027 -0.023 25790 10831 1 28 . 1 1 25 25 GLN C C 25 177.818 177.818 177.447 0.371 25790 10832 1 28 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.145 -0.691 25790 10833 1 28 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.768 -0.313 25790 10834 1 28 . 1 1 25 25 GLN H H 25 7.300 7.300 7.616 -0.316 25790 10835 1 28 . 1 1 26 26 GLN N N 26 116.989 116.989 116.569 0.420 25790 10836 1 28 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.946 -0.242 25790 10837 1 28 . 1 1 26 26 GLN C C 26 175.979 175.979 175.886 0.093 25790 10838 1 28 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.952 -0.164 25790 10839 1 28 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.326 -1.246 25790 10840 1 28 . 1 1 26 26 GLN H H 26 7.401 7.401 7.199 0.202 25790 10841 1 28 . 1 1 27 27 TYR N N 27 114.712 114.712 118.175 -3.463 25790 10842 1 28 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.948 0.130 25790 10843 1 28 . 1 1 27 27 TYR C C 27 172.931 172.931 173.632 -0.701 25790 10844 1 28 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.460 0.707 25790 10845 1 28 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.188 1.472 25790 10846 1 28 . 1 1 27 27 TYR H H 27 7.675 7.675 8.167 -0.492 25790 10847 1 28 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.401 -0.039 25790 10848 1 28 . 1 1 28 28 PRO C C 28 179.333 179.333 177.913 1.420 25790 10849 1 28 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.986 0.408 25790 10850 1 28 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.363 -1.109 25790 10851 1 28 . 1 1 29 29 GLY N N 29 110.091 110.091 113.249 -3.158 25790 10852 1 28 . 1 1 29 29 GLY C C 29 173.218 173.218 174.561 -1.343 25790 10853 1 28 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.350 0.562 25790 10854 1 28 . 1 1 29 29 GLY H H 29 8.826 8.826 8.730 0.096 25790 10855 1 28 . 1 1 30 30 ASN N N 30 118.603 118.603 121.336 -2.733 25790 10856 1 28 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.969 0.030 25790 10857 1 28 . 1 1 30 30 ASN C C 30 173.977 173.977 174.559 -0.582 25790 10858 1 28 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.984 -0.799 25790 10859 1 28 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.038 0.387 25790 10860 1 28 . 1 1 30 30 ASN H H 30 7.293 7.293 7.773 -0.480 25790 10861 1 28 . 1 1 31 31 TYR N N 31 125.240 125.240 125.989 -0.749 25790 10862 1 28 . 1 1 31 31 TYR HA H 31 3.898 3.898 3.977 -0.079 25790 10863 1 28 . 1 1 31 31 TYR C C 31 177.343 177.343 176.767 0.576 25790 10864 1 28 . 1 1 31 31 TYR CA C 31 61.811 61.811 63.361 -1.550 25790 10865 1 28 . 1 1 31 31 TYR CB C 31 38.357 38.357 39.041 -0.684 25790 10866 1 28 . 1 1 31 31 TYR H H 31 8.509 8.509 7.820 0.689 25790 10867 1 28 . 1 1 32 32 GLU N N 32 118.993 118.993 116.369 2.624 25790 10868 1 28 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.690 0.210 25790 10869 1 28 . 1 1 32 32 GLU C C 32 179.549 179.549 178.447 1.102 25790 10870 1 28 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.468 0.644 25790 10871 1 28 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.032 1.136 25790 10872 1 28 . 1 1 32 32 GLU H H 32 8.714 8.714 8.825 -0.111 25790 10873 1 28 . 1 1 33 33 GLN N N 33 117.037 117.037 118.524 -1.487 25790 10874 1 28 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.954 -0.221 25790 10875 1 28 . 1 1 33 33 GLN C C 33 179.119 179.119 178.690 0.429 25790 10876 1 28 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.305 -0.603 25790 10877 1 28 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.514 0.112 25790 10878 1 28 . 1 1 33 33 GLN H H 33 7.536 7.536 8.289 -0.753 25790 10879 1 28 . 1 1 34 34 GLN N N 34 117.723 117.723 119.529 -1.806 25790 10880 1 28 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.080 -0.269 25790 10881 1 28 . 1 1 34 34 GLN C C 34 177.634 177.634 178.599 -0.965 25790 10882 1 28 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.411 0.754 25790 10883 1 28 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.454 -0.953 25790 10884 1 28 . 1 1 34 34 GLN H H 34 7.968 7.968 8.269 -0.301 25790 10885 1 28 . 1 1 35 35 GLN N N 35 115.293 115.293 118.448 -3.155 25790 10886 1 28 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.002 -0.211 25790 10887 1 28 . 1 1 35 35 GLN C C 35 178.757 178.757 178.476 0.281 25790 10888 1 28 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.162 0.448 25790 10889 1 28 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.253 -0.048 25790 10890 1 28 . 1 1 35 35 GLN H H 35 7.870 7.870 7.667 0.203 25790 10891 1 28 . 1 1 36 36 ILE N N 36 120.769 120.769 120.809 -0.040 25790 10892 1 28 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.679 -0.115 25790 10893 1 28 . 1 1 36 36 ILE C C 36 178.273 178.273 178.312 -0.039 25790 10894 1 28 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.189 0.047 25790 10895 1 28 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.704 0.669 25790 10896 1 28 . 1 1 36 36 ILE H H 36 7.503 7.503 7.632 -0.129 25790 10897 1 28 . 1 1 37 37 LEU N N 37 121.056 121.056 121.635 -0.579 25790 10898 1 28 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.186 0.123 25790 10899 1 28 . 1 1 37 37 LEU C C 37 178.348 178.348 178.434 -0.086 25790 10900 1 28 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.997 -0.263 25790 10901 1 28 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.796 -0.280 25790 10902 1 28 . 1 1 37 37 LEU H H 37 7.678 7.678 7.899 -0.221 25790 10903 1 28 . 1 1 38 38 ILE N N 38 119.334 119.334 119.875 -0.541 25790 10904 1 28 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.670 -0.329 25790 10905 1 28 . 1 1 38 38 ILE C C 38 177.371 177.371 177.942 -0.571 25790 10906 1 28 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.919 1.166 25790 10907 1 28 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.566 0.784 25790 10908 1 28 . 1 1 38 38 ILE H H 38 8.702 8.702 8.096 0.606 25790 10909 1 28 . 1 1 39 39 ARG N N 39 117.798 117.798 120.068 -2.270 25790 10910 1 28 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.168 0.047 25790 10911 1 28 . 1 1 39 39 ARG C C 39 179.555 179.555 178.717 0.838 25790 10912 1 28 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.290 0.169 25790 10913 1 28 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.682 0.070 25790 10914 1 28 . 1 1 39 39 ARG H H 39 7.739 7.739 8.371 -0.632 25790 10915 1 28 . 1 1 40 40 GLN N N 40 119.432 119.432 119.503 -0.071 25790 10916 1 28 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.111 0.026 25790 10917 1 28 . 1 1 40 40 GLN C C 40 179.522 179.522 178.624 0.898 25790 10918 1 28 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.094 0.166 25790 10919 1 28 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.523 -0.165 25790 10920 1 28 . 1 1 40 40 GLN H H 40 7.811 7.811 7.878 -0.067 25790 10921 1 28 . 1 1 41 41 LEU N N 41 121.592 121.592 119.809 1.783 25790 10922 1 28 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.853 -0.166 25790 10923 1 28 . 1 1 41 41 LEU C C 41 178.974 178.974 179.411 -0.437 25790 10924 1 28 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.852 0.112 25790 10925 1 28 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.426 -1.574 25790 10926 1 28 . 1 1 41 41 LEU H H 41 8.648 8.648 8.450 0.198 25790 10927 1 28 . 1 1 42 42 GLN N N 42 119.054 119.054 118.457 0.597 25790 10928 1 28 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.242 0.302 25790 10929 1 28 . 1 1 42 42 GLN C C 42 180.176 180.176 179.039 1.137 25790 10930 1 28 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.562 -0.327 25790 10931 1 28 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.778 -0.858 25790 10932 1 28 . 1 1 42 42 GLN H H 42 8.641 8.641 8.836 -0.195 25790 10933 1 28 . 1 1 43 43 GLU N N 43 121.517 121.517 119.822 1.695 25790 10934 1 28 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.122 0.114 25790 10935 1 28 . 1 1 43 43 GLU C C 43 179.721 179.721 178.942 0.779 25790 10936 1 28 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.371 0.296 25790 10937 1 28 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.480 -0.222 25790 10938 1 28 . 1 1 43 43 GLU H H 43 8.111 8.111 8.268 -0.157 25790 10939 1 28 . 1 1 44 44 GLN N N 44 119.240 119.240 118.889 0.351 25790 10940 1 28 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.098 0.018 25790 10941 1 28 . 1 1 44 44 GLN C C 44 179.012 179.012 178.161 0.851 25790 10942 1 28 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.781 0.368 25790 10943 1 28 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.582 0.272 25790 10944 1 28 . 1 1 44 44 GLN H H 44 8.372 8.372 8.252 0.120 25790 10945 1 28 . 1 1 45 45 HIS N N 45 121.705 121.705 119.758 1.947 25790 10946 1 28 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.377 -0.097 25790 10947 1 28 . 1 1 45 45 HIS C C 45 176.395 176.395 177.172 -0.777 25790 10948 1 28 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.753 0.606 25790 10949 1 28 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.439 1.886 25790 10950 1 28 . 1 1 45 45 HIS H H 45 9.472 9.472 8.240 1.232 25790 10951 1 28 . 1 1 46 46 TYR N N 46 119.039 119.039 120.818 -1.779 25790 10952 1 28 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.164 -0.315 25790 10953 1 28 . 1 1 46 46 TYR C C 46 176.664 176.664 178.126 -1.462 25790 10954 1 28 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.798 0.453 25790 10955 1 28 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.184 -0.512 25790 10956 1 28 . 1 1 46 46 TYR H H 46 8.253 8.253 8.717 -0.464 25790 10957 1 28 . 1 1 47 47 GLN N N 47 116.407 116.407 117.755 -1.348 25790 10958 1 28 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.837 -0.053 25790 10959 1 28 . 1 1 47 47 GLN C C 47 179.048 179.048 178.322 0.726 25790 10960 1 28 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.431 -0.481 25790 10961 1 28 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.192 -0.011 25790 10962 1 28 . 1 1 47 47 GLN H H 47 7.814 7.814 7.862 -0.048 25790 10963 1 28 . 1 1 48 48 GLN N N 48 119.803 119.803 119.670 0.133 25790 10964 1 28 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.010 -0.033 25790 10965 1 28 . 1 1 48 48 GLN C C 48 177.741 177.741 178.174 -0.433 25790 10966 1 28 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.564 -0.250 25790 10967 1 28 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.349 -0.021 25790 10968 1 28 . 1 1 48 48 GLN H H 48 8.645 8.645 7.626 1.019 25790 10969 1 28 . 1 1 49 49 TYR N N 49 121.342 121.342 121.387 -0.045 25790 10970 1 28 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.102 -0.462 25790 10971 1 28 . 1 1 49 49 TYR C C 49 176.021 176.021 177.590 -1.569 25790 10972 1 28 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.612 0.497 25790 10973 1 28 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.306 0.601 25790 10974 1 28 . 1 1 49 49 TYR H H 49 9.105 9.105 8.361 0.744 25790 10975 1 28 . 1 1 50 50 MET N N 50 115.522 115.522 118.346 -2.824 25790 10976 1 28 . 1 1 50 50 MET HA H 50 4.040 4.040 3.946 0.094 25790 10977 1 28 . 1 1 50 50 MET C C 50 179.841 179.841 177.883 1.958 25790 10978 1 28 . 1 1 50 50 MET CA C 50 56.623 56.623 58.277 -1.654 25790 10979 1 28 . 1 1 50 50 MET CB C 50 30.099 30.099 32.482 -2.383 25790 10980 1 28 . 1 1 50 50 MET H H 50 8.060 8.060 8.237 -0.177 25790 10981 1 28 . 1 1 51 51 GLN N N 51 118.942 118.942 119.023 -0.081 25790 10982 1 28 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.930 0.135 25790 10983 1 28 . 1 1 51 51 GLN C C 51 178.707 178.707 178.232 0.475 25790 10984 1 28 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.695 -0.754 25790 10985 1 28 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.497 -0.008 25790 10986 1 28 . 1 1 51 51 GLN H H 51 7.830 7.830 8.059 -0.229 25790 10987 1 28 . 1 1 52 52 GLN N N 52 119.210 119.210 119.610 -0.400 25790 10988 1 28 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.048 0.009 25790 10989 1 28 . 1 1 52 52 GLN C C 52 178.738 178.738 178.735 0.003 25790 10990 1 28 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.724 0.026 25790 10991 1 28 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.457 -0.054 25790 10992 1 28 . 1 1 52 52 GLN H H 52 8.187 8.187 8.061 0.126 25790 10993 1 28 . 1 1 53 53 LEU N N 53 121.233 121.233 119.507 1.726 25790 10994 1 28 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.878 -0.037 25790 10995 1 28 . 1 1 53 53 LEU C C 53 179.191 179.191 178.638 0.553 25790 10996 1 28 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.491 0.254 25790 10997 1 28 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.722 0.144 25790 10998 1 28 . 1 1 53 53 LEU H H 53 8.441 8.441 7.586 0.855 25790 10999 1 28 . 1 1 54 54 TYR N N 54 118.505 118.505 120.233 -1.728 25790 11000 1 28 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.140 0.178 25790 11001 1 28 . 1 1 54 54 TYR C C 54 177.535 177.535 177.473 0.062 25790 11002 1 28 . 1 1 54 54 TYR CA C 54 60.477 60.477 60.813 -0.336 25790 11003 1 28 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.083 -0.297 25790 11004 1 28 . 1 1 54 54 TYR H H 54 7.819 7.819 8.008 -0.189 25790 11005 1 28 . 1 1 55 55 GLN N N 55 117.299 117.299 117.832 -0.533 25790 11006 1 28 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.620 0.279 25790 11007 1 28 . 1 1 55 55 GLN C C 55 179.041 179.041 178.346 0.695 25790 11008 1 28 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.666 0.042 25790 11009 1 28 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.588 -0.373 25790 11010 1 28 . 1 1 55 55 GLN H H 55 7.735 7.735 7.670 0.065 25790 11011 1 28 . 1 1 56 56 VAL N N 56 120.879 120.879 120.848 0.031 25790 11012 1 28 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.629 0.163 25790 11013 1 28 . 1 1 56 56 VAL C C 56 178.262 178.262 177.805 0.457 25790 11014 1 28 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.031 -0.089 25790 11015 1 28 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.206 0.673 25790 11016 1 28 . 1 1 56 56 VAL H H 56 8.014 8.014 7.692 0.322 25790 11017 1 28 . 1 1 57 57 GLN N N 57 120.513 120.513 119.907 0.606 25790 11018 1 28 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.970 0.090 25790 11019 1 28 . 1 1 57 57 GLN C C 57 178.772 178.772 178.739 0.033 25790 11020 1 28 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.502 -0.886 25790 11021 1 28 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.657 -0.672 25790 11022 1 28 . 1 1 57 57 GLN H H 57 8.103 8.103 8.186 -0.083 25790 11023 1 28 . 1 1 58 58 LEU N N 58 121.244 121.244 119.413 1.831 25790 11024 1 28 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.897 0.108 25790 11025 1 28 . 1 1 58 58 LEU C C 58 179.134 179.134 178.547 0.587 25790 11026 1 28 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.340 0.166 25790 11027 1 28 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.245 0.558 25790 11028 1 28 . 1 1 58 58 LEU H H 58 8.176 8.176 7.962 0.214 25790 11029 1 28 . 1 1 59 59 ALA N N 59 121.608 121.608 122.157 -0.549 25790 11030 1 28 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.869 0.296 25790 11031 1 28 . 1 1 59 59 ALA C C 59 180.497 180.497 179.828 0.669 25790 11032 1 28 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.232 -0.650 25790 11033 1 28 . 1 1 59 59 ALA CB C 59 18.053 18.053 17.934 0.119 25790 11034 1 28 . 1 1 59 59 ALA H H 59 7.833 7.833 7.934 -0.101 25790 11035 1 28 . 1 1 60 60 GLN N N 60 118.335 118.335 117.690 0.645 25790 11036 1 28 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.944 0.204 25790 11037 1 28 . 1 1 60 60 GLN C C 60 178.334 178.334 178.950 -0.616 25790 11038 1 28 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.825 -0.848 25790 11039 1 28 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.636 -0.201 25790 11040 1 28 . 1 1 60 60 GLN H H 60 8.081 8.081 7.877 0.204 25790 11041 1 28 . 1 1 61 61 GLN N N 61 120.206 120.206 118.972 1.234 25790 11042 1 28 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.965 0.197 25790 11043 1 28 . 1 1 61 61 GLN C C 61 178.002 178.002 178.501 -0.499 25790 11044 1 28 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.033 -1.128 25790 11045 1 28 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.482 0.097 25790 11046 1 28 . 1 1 61 61 GLN H H 61 8.111 8.111 8.392 -0.281 25790 11047 1 28 . 1 1 62 62 GLN N N 62 118.980 118.980 118.505 0.475 25790 11048 1 28 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.063 0.066 25790 11049 1 28 . 1 1 62 62 GLN C C 62 177.624 177.624 178.173 -0.549 25790 11050 1 28 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.537 -0.901 25790 11051 1 28 . 1 1 62 62 GLN CB C 62 28.636 28.636 27.889 0.747 25790 11052 1 28 . 1 1 62 62 GLN H H 62 8.203 8.203 8.569 -0.366 25790 11053 1 28 . 1 1 63 63 ALA N N 63 122.712 122.712 121.721 0.991 25790 11054 1 28 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.166 0.040 25790 11055 1 28 . 1 1 63 63 ALA C C 63 178.922 178.922 178.539 0.383 25790 11056 1 28 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.078 -0.182 25790 11057 1 28 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.049 0.410 25790 11058 1 28 . 1 1 63 63 ALA H H 63 8.004 8.004 7.905 0.099 25790 11059 1 28 . 1 1 64 64 ALA N N 64 120.813 120.813 121.100 -0.287 25790 11060 1 28 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.058 0.174 25790 11061 1 28 . 1 1 64 64 ALA C C 64 178.732 178.732 179.100 -0.368 25790 11062 1 28 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.028 -0.512 25790 11063 1 28 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.167 -0.537 25790 11064 1 28 . 1 1 64 64 ALA H H 64 7.837 7.837 7.564 0.273 25790 11065 1 28 . 1 1 65 65 LEU N N 65 119.196 119.196 117.827 1.369 25790 11066 1 28 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.122 0.135 25790 11067 1 28 . 1 1 65 65 LEU C C 65 178.038 178.038 177.312 0.726 25790 11068 1 28 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.536 0.286 25790 11069 1 28 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.478 -0.214 25790 11070 1 28 . 1 1 65 65 LEU H H 65 7.765 7.765 7.750 0.015 25790 11071 1 28 . 1 1 66 66 GLN N N 66 119.365 119.365 115.219 4.146 25790 11072 1 28 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.875 0.400 25790 11073 1 28 . 1 1 66 66 GLN C C 66 176.120 176.120 175.495 0.625 25790 11074 1 28 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.504 -0.437 25790 11075 1 28 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.008 3.124 25790 11076 1 28 . 1 1 66 66 GLN H H 66 7.967 7.967 7.864 0.103 25790 11077 1 28 . 1 1 67 67 LYS N N 67 121.521 121.521 116.010 5.511 25790 11078 1 28 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.239 0.070 25790 11079 1 28 . 1 1 67 67 LYS C C 67 176.437 176.437 176.122 0.315 25790 11080 1 28 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.583 -0.194 25790 11081 1 28 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.096 0.945 25790 11082 1 28 . 1 1 67 67 LYS H H 67 8.053 8.053 8.366 -0.313 25790 11083 1 28 . 1 1 68 68 GLN N N 68 121.970 121.970 116.588 5.382 25790 11084 1 28 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.430 -0.091 25790 11085 1 28 . 1 1 68 68 GLN C C 68 175.120 175.120 175.533 -0.413 25790 11086 1 28 . 1 1 68 68 GLN CA C 68 56.000 56.000 54.211 1.789 25790 11087 1 28 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.968 1.530 25790 11088 1 28 . 1 1 68 68 GLN H H 68 8.314 8.314 7.670 0.644 25790 11089 1 29 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.606 -0.159 25790 11090 1 29 . 1 1 2 2 GLN C C 2 176.144 176.144 174.803 1.341 25790 11091 1 29 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.647 0.562 25790 11092 1 29 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.697 -0.238 25790 11093 1 29 . 1 1 3 3 GLN N N 3 122.052 122.052 121.045 1.007 25790 11094 1 29 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.583 -0.260 25790 11095 1 29 . 1 1 3 3 GLN C C 3 176.988 176.988 175.802 1.186 25790 11096 1 29 . 1 1 3 3 GLN CA C 3 57.403 57.403 55.239 2.164 25790 11097 1 29 . 1 1 3 3 GLN CB C 3 29.239 29.239 29.270 -0.031 25790 11098 1 29 . 1 1 3 3 GLN H H 3 8.780 8.780 7.985 0.795 25790 11099 1 29 . 1 1 4 4 LYS N N 4 121.855 121.855 126.576 -4.721 25790 11100 1 29 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.184 -0.180 25790 11101 1 29 . 1 1 4 4 LYS C C 4 177.638 177.638 177.987 -0.349 25790 11102 1 29 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.484 1.755 25790 11103 1 29 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.911 0.788 25790 11104 1 29 . 1 1 4 4 LYS H H 4 8.528 8.528 8.947 -0.419 25790 11105 1 29 . 1 1 5 5 GLN N N 5 116.397 116.397 118.677 -2.280 25790 11106 1 29 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.016 -0.075 25790 11107 1 29 . 1 1 5 5 GLN C C 5 178.761 178.761 178.573 0.188 25790 11108 1 29 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.497 0.852 25790 11109 1 29 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.500 -0.550 25790 11110 1 29 . 1 1 5 5 GLN H H 5 8.223 8.223 8.484 -0.261 25790 11111 1 29 . 1 1 6 6 GLN N N 6 119.262 119.262 118.962 0.300 25790 11112 1 29 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.116 0.012 25790 11113 1 29 . 1 1 6 6 GLN C C 6 179.018 179.018 178.635 0.383 25790 11114 1 29 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.943 0.146 25790 11115 1 29 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.446 0.264 25790 11116 1 29 . 1 1 6 6 GLN H H 6 7.848 7.848 7.921 -0.073 25790 11117 1 29 . 1 1 7 7 ILE N N 7 121.296 121.296 120.568 0.728 25790 11118 1 29 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.882 -0.299 25790 11119 1 29 . 1 1 7 7 ILE C C 7 177.833 177.833 178.028 -0.195 25790 11120 1 29 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.567 0.562 25790 11121 1 29 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.977 0.229 25790 11122 1 29 . 1 1 7 7 ILE H H 7 8.095 8.095 7.340 0.755 25790 11123 1 29 . 1 1 8 8 MET N N 8 117.603 117.603 119.322 -1.719 25790 11124 1 29 . 1 1 8 8 MET HA H 8 3.985 3.985 4.158 -0.173 25790 11125 1 29 . 1 1 8 8 MET C C 8 177.355 177.355 178.464 -1.109 25790 11126 1 29 . 1 1 8 8 MET CA C 8 59.932 59.932 59.431 0.501 25790 11127 1 29 . 1 1 8 8 MET CB C 8 32.721 32.721 32.349 0.372 25790 11128 1 29 . 1 1 8 8 MET H H 8 8.672 8.672 8.132 0.540 25790 11129 1 29 . 1 1 9 9 ALA N N 9 118.774 118.774 121.303 -2.529 25790 11130 1 29 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.059 -0.013 25790 11131 1 29 . 1 1 9 9 ALA C C 9 180.546 180.546 179.203 1.343 25790 11132 1 29 . 1 1 9 9 ALA CA C 9 55.385 55.385 54.998 0.387 25790 11133 1 29 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.931 -0.033 25790 11134 1 29 . 1 1 9 9 ALA H H 9 7.795 7.795 8.177 -0.382 25790 11135 1 29 . 1 1 10 10 ALA N N 10 120.854 120.854 121.795 -0.941 25790 11136 1 29 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.068 0.137 25790 11137 1 29 . 1 1 10 10 ALA C C 10 181.200 181.200 179.656 1.544 25790 11138 1 29 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.774 0.238 25790 11139 1 29 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.297 0.964 25790 11140 1 29 . 1 1 10 10 ALA H H 10 7.438 7.438 7.394 0.044 25790 11141 1 29 . 1 1 11 11 LEU N N 11 120.775 120.775 118.300 2.475 25790 11142 1 29 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.967 -0.219 25790 11143 1 29 . 1 1 11 11 LEU C C 11 179.041 179.041 179.043 -0.002 25790 11144 1 29 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.263 1.083 25790 11145 1 29 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.223 -1.246 25790 11146 1 29 . 1 1 11 11 LEU H H 11 8.757 8.757 7.936 0.821 25790 11147 1 29 . 1 1 12 12 ASN N N 12 116.313 116.313 116.959 -0.646 25790 11148 1 29 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.623 -0.059 25790 11149 1 29 . 1 1 12 12 ASN C C 12 178.900 178.900 177.488 1.412 25790 11150 1 29 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.141 -2.075 25790 11151 1 29 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.579 -1.586 25790 11152 1 29 . 1 1 12 12 ASN H H 12 8.850 8.850 8.189 0.661 25790 11153 1 29 . 1 1 13 13 SER N N 13 114.747 114.747 115.025 -0.278 25790 11154 1 29 . 1 1 13 13 SER HA H 13 4.370 4.370 4.216 0.154 25790 11155 1 29 . 1 1 13 13 SER C C 13 176.515 176.515 175.883 0.632 25790 11156 1 29 . 1 1 13 13 SER CA C 13 61.141 61.141 60.489 0.652 25790 11157 1 29 . 1 1 13 13 SER CB C 13 63.044 63.044 63.114 -0.070 25790 11158 1 29 . 1 1 13 13 SER H H 13 7.672 7.672 7.538 0.134 25790 11159 1 29 . 1 1 14 14 GLN N N 14 119.954 119.954 118.285 1.669 25790 11160 1 29 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.151 0.067 25790 11161 1 29 . 1 1 14 14 GLN C C 14 178.208 178.208 177.371 0.837 25790 11162 1 29 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.187 -0.438 25790 11163 1 29 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.361 -0.661 25790 11164 1 29 . 1 1 14 14 GLN H H 14 7.573 7.573 7.394 0.179 25790 11165 1 29 . 1 1 15 15 THR N N 15 107.493 107.493 107.785 -0.292 25790 11166 1 29 . 1 1 15 15 THR HA H 15 3.899 3.899 4.316 -0.417 25790 11167 1 29 . 1 1 15 15 THR C C 15 174.683 174.683 175.058 -0.375 25790 11168 1 29 . 1 1 15 15 THR CA C 15 61.551 61.551 60.612 0.939 25790 11169 1 29 . 1 1 15 15 THR CB C 15 69.226 69.226 69.422 -0.196 25790 11170 1 29 . 1 1 15 15 THR H H 15 7.741 7.741 7.574 0.167 25790 11171 1 29 . 1 1 16 16 ALA N N 16 124.034 124.034 126.410 -2.376 25790 11172 1 29 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.100 0.035 25790 11173 1 29 . 1 1 16 16 ALA C C 16 179.899 179.899 178.415 1.484 25790 11174 1 29 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.542 0.665 25790 11175 1 29 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.140 0.584 25790 11176 1 29 . 1 1 16 16 ALA H H 16 6.873 6.873 7.549 -0.676 25790 11177 1 29 . 1 1 17 17 VAL N N 17 117.150 117.150 118.377 -1.227 25790 11178 1 29 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.807 -0.093 25790 11179 1 29 . 1 1 17 17 VAL C C 17 178.537 178.537 177.290 1.247 25790 11180 1 29 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.849 1.659 25790 11181 1 29 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.056 0.637 25790 11182 1 29 . 1 1 17 17 VAL H H 17 8.162 8.162 8.284 -0.122 25790 11183 1 29 . 1 1 18 18 GLN N N 18 119.489 119.489 120.389 -0.900 25790 11184 1 29 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.034 0.023 25790 11185 1 29 . 1 1 18 18 GLN C C 18 180.429 180.429 178.591 1.838 25790 11186 1 29 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.188 0.511 25790 11187 1 29 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.370 0.816 25790 11188 1 29 . 1 1 18 18 GLN H H 18 8.451 8.451 8.165 0.286 25790 11189 1 29 . 1 1 19 19 PHE N N 19 117.940 117.940 117.729 0.211 25790 11190 1 29 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.622 0.208 25790 11191 1 29 . 1 1 19 19 PHE C C 19 177.858 177.858 177.980 -0.122 25790 11192 1 29 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.909 -0.880 25790 11193 1 29 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.597 -2.692 25790 11194 1 29 . 1 1 19 19 PHE H H 19 8.924 8.924 8.371 0.553 25790 11195 1 29 . 1 1 20 20 GLN N N 20 120.297 120.297 121.254 -0.957 25790 11196 1 29 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.975 0.131 25790 11197 1 29 . 1 1 20 20 GLN C C 20 178.986 178.986 178.221 0.765 25790 11198 1 29 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.833 -0.270 25790 11199 1 29 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.632 -0.737 25790 11200 1 29 . 1 1 20 20 GLN H H 20 8.264 8.264 8.355 -0.091 25790 11201 1 29 . 1 1 21 21 GLN N N 21 118.595 118.595 117.053 1.542 25790 11202 1 29 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.131 -0.049 25790 11203 1 29 . 1 1 21 21 GLN C C 21 178.806 178.806 178.555 0.251 25790 11204 1 29 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.171 0.999 25790 11205 1 29 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.439 -0.243 25790 11206 1 29 . 1 1 21 21 GLN H H 21 8.527 8.527 7.875 0.652 25790 11207 1 29 . 1 1 22 22 TYR N N 22 119.594 119.594 121.489 -1.895 25790 11208 1 29 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.179 0.068 25790 11209 1 29 . 1 1 22 22 TYR C C 22 177.789 177.789 176.594 1.195 25790 11210 1 29 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.785 0.927 25790 11211 1 29 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.455 0.269 25790 11212 1 29 . 1 1 22 22 TYR H H 22 7.843 7.843 7.611 0.232 25790 11213 1 29 . 1 1 23 23 ALA N N 23 120.663 120.663 121.370 -0.707 25790 11214 1 29 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.766 0.091 25790 11215 1 29 . 1 1 23 23 ALA C C 23 179.319 179.319 178.609 0.710 25790 11216 1 29 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.685 0.904 25790 11217 1 29 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.271 0.211 25790 11218 1 29 . 1 1 23 23 ALA H H 23 8.612 8.612 8.570 0.042 25790 11219 1 29 . 1 1 24 24 ALA N N 24 119.002 119.002 119.632 -0.630 25790 11220 1 29 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.132 -0.194 25790 11221 1 29 . 1 1 24 24 ALA C C 24 178.987 178.987 178.861 0.126 25790 11222 1 29 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.285 0.032 25790 11223 1 29 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.586 -0.695 25790 11224 1 29 . 1 1 24 24 ALA H H 24 8.168 8.168 7.905 0.263 25790 11225 1 29 . 1 1 25 25 GLN N N 25 115.599 115.599 116.080 -0.481 25790 11226 1 29 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.090 -0.086 25790 11227 1 29 . 1 1 25 25 GLN C C 25 177.818 177.818 177.369 0.449 25790 11228 1 29 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.612 -0.158 25790 11229 1 29 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.780 -0.325 25790 11230 1 29 . 1 1 25 25 GLN H H 25 7.300 7.300 7.468 -0.168 25790 11231 1 29 . 1 1 26 26 GLN N N 26 116.989 116.989 116.768 0.221 25790 11232 1 29 . 1 1 26 26 GLN HA H 26 3.704 3.704 4.007 -0.303 25790 11233 1 29 . 1 1 26 26 GLN C C 26 175.979 175.979 175.864 0.115 25790 11234 1 29 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.603 0.185 25790 11235 1 29 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.719 -1.639 25790 11236 1 29 . 1 1 26 26 GLN H H 26 7.401 7.401 7.257 0.144 25790 11237 1 29 . 1 1 27 27 TYR N N 27 114.712 114.712 118.960 -4.248 25790 11238 1 29 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.920 0.158 25790 11239 1 29 . 1 1 27 27 TYR C C 27 172.931 172.931 173.771 -0.840 25790 11240 1 29 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.511 0.656 25790 11241 1 29 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.461 1.199 25790 11242 1 29 . 1 1 27 27 TYR H H 27 7.675 7.675 8.219 -0.543 25790 11243 1 29 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.558 -0.196 25790 11244 1 29 . 1 1 28 28 PRO C C 28 179.333 179.333 177.988 1.345 25790 11245 1 29 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.913 0.481 25790 11246 1 29 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.311 -1.057 25790 11247 1 29 . 1 1 29 29 GLY N N 29 110.091 110.091 111.783 -1.692 25790 11248 1 29 . 1 1 29 29 GLY C C 29 173.218 173.218 174.656 -1.438 25790 11249 1 29 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.560 0.352 25790 11250 1 29 . 1 1 29 29 GLY H H 29 8.826 8.826 8.886 -0.060 25790 11251 1 29 . 1 1 30 30 ASN N N 30 118.603 118.603 122.046 -3.443 25790 11252 1 29 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.089 -0.090 25790 11253 1 29 . 1 1 30 30 ASN C C 30 173.977 173.977 174.808 -0.831 25790 11254 1 29 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.507 -0.322 25790 11255 1 29 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.850 0.576 25790 11256 1 29 . 1 1 30 30 ASN H H 30 7.293 7.293 7.702 -0.409 25790 11257 1 29 . 1 1 31 31 TYR N N 31 125.240 125.240 126.517 -1.277 25790 11258 1 29 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.103 -0.205 25790 11259 1 29 . 1 1 31 31 TYR C C 31 177.343 177.343 176.503 0.840 25790 11260 1 29 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.355 -0.544 25790 11261 1 29 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.820 -0.463 25790 11262 1 29 . 1 1 31 31 TYR H H 31 8.509 8.509 7.924 0.585 25790 11263 1 29 . 1 1 32 32 GLU N N 32 118.993 118.993 116.500 2.493 25790 11264 1 29 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.624 0.276 25790 11265 1 29 . 1 1 32 32 GLU C C 32 179.549 179.549 178.504 1.045 25790 11266 1 29 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.419 0.693 25790 11267 1 29 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.992 1.176 25790 11268 1 29 . 1 1 32 32 GLU H H 32 8.714 8.714 8.717 -0.003 25790 11269 1 29 . 1 1 33 33 GLN N N 33 117.037 117.037 118.445 -1.408 25790 11270 1 29 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.914 -0.181 25790 11271 1 29 . 1 1 33 33 GLN C C 33 179.119 179.119 178.627 0.492 25790 11272 1 29 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.212 -0.510 25790 11273 1 29 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.491 0.135 25790 11274 1 29 . 1 1 33 33 GLN H H 33 7.536 7.536 8.218 -0.682 25790 11275 1 29 . 1 1 34 34 GLN N N 34 117.723 117.723 119.575 -1.852 25790 11276 1 29 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.128 -0.317 25790 11277 1 29 . 1 1 34 34 GLN C C 34 177.634 177.634 178.636 -1.002 25790 11278 1 29 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.526 0.638 25790 11279 1 29 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.520 -1.019 25790 11280 1 29 . 1 1 34 34 GLN H H 34 7.968 7.968 8.530 -0.562 25790 11281 1 29 . 1 1 35 35 GLN N N 35 115.293 115.293 118.447 -3.154 25790 11282 1 29 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.096 -0.305 25790 11283 1 29 . 1 1 35 35 GLN C C 35 178.757 178.757 178.573 0.184 25790 11284 1 29 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.129 0.481 25790 11285 1 29 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.268 -0.063 25790 11286 1 29 . 1 1 35 35 GLN H H 35 7.870 7.870 7.569 0.300 25790 11287 1 29 . 1 1 36 36 ILE N N 36 120.769 120.769 121.065 -0.296 25790 11288 1 29 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.647 -0.083 25790 11289 1 29 . 1 1 36 36 ILE C C 36 178.273 178.273 178.120 0.153 25790 11290 1 29 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.195 0.041 25790 11291 1 29 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.658 0.715 25790 11292 1 29 . 1 1 36 36 ILE H H 36 7.503 7.503 7.633 -0.130 25790 11293 1 29 . 1 1 37 37 LEU N N 37 121.056 121.056 121.511 -0.455 25790 11294 1 29 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.124 0.185 25790 11295 1 29 . 1 1 37 37 LEU C C 37 178.348 178.348 178.385 -0.037 25790 11296 1 29 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.161 -0.427 25790 11297 1 29 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.944 -0.428 25790 11298 1 29 . 1 1 37 37 LEU H H 37 7.678 7.678 7.877 -0.199 25790 11299 1 29 . 1 1 38 38 ILE N N 38 119.334 119.334 119.642 -0.308 25790 11300 1 29 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.549 -0.208 25790 11301 1 29 . 1 1 38 38 ILE C C 38 177.371 177.371 177.949 -0.578 25790 11302 1 29 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.890 1.195 25790 11303 1 29 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.712 0.637 25790 11304 1 29 . 1 1 38 38 ILE H H 38 8.702 8.702 8.043 0.659 25790 11305 1 29 . 1 1 39 39 ARG N N 39 117.798 117.798 119.469 -1.671 25790 11306 1 29 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.892 0.323 25790 11307 1 29 . 1 1 39 39 ARG C C 39 179.555 179.555 178.356 1.199 25790 11308 1 29 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.561 -0.102 25790 11309 1 29 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.716 0.036 25790 11310 1 29 . 1 1 39 39 ARG H H 39 7.739 7.739 8.135 -0.396 25790 11311 1 29 . 1 1 40 40 GLN N N 40 119.432 119.432 119.447 -0.015 25790 11312 1 29 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.061 0.076 25790 11313 1 29 . 1 1 40 40 GLN C C 40 179.522 179.522 178.284 1.238 25790 11314 1 29 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.866 0.394 25790 11315 1 29 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.615 -0.257 25790 11316 1 29 . 1 1 40 40 GLN H H 40 7.811 7.811 7.475 0.336 25790 11317 1 29 . 1 1 41 41 LEU N N 41 121.592 121.592 120.044 1.548 25790 11318 1 29 . 1 1 41 41 LEU HA H 41 3.687 3.687 4.011 -0.324 25790 11319 1 29 . 1 1 41 41 LEU C C 41 178.974 178.974 179.521 -0.547 25790 11320 1 29 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.519 0.444 25790 11321 1 29 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.187 -1.335 25790 11322 1 29 . 1 1 41 41 LEU H H 41 8.648 8.648 8.189 0.459 25790 11323 1 29 . 1 1 42 42 GLN N N 42 119.054 119.054 117.326 1.728 25790 11324 1 29 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.165 0.379 25790 11325 1 29 . 1 1 42 42 GLN C C 42 180.176 180.176 178.601 1.575 25790 11326 1 29 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.157 0.077 25790 11327 1 29 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.572 -0.652 25790 11328 1 29 . 1 1 42 42 GLN H H 42 8.641 8.641 8.169 0.472 25790 11329 1 29 . 1 1 43 43 GLU N N 43 121.517 121.517 120.768 0.749 25790 11330 1 29 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.074 0.162 25790 11331 1 29 . 1 1 43 43 GLU C C 43 179.721 179.721 179.054 0.667 25790 11332 1 29 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.464 0.203 25790 11333 1 29 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.530 -0.272 25790 11334 1 29 . 1 1 43 43 GLU H H 43 8.111 8.111 7.734 0.377 25790 11335 1 29 . 1 1 44 44 GLN N N 44 119.240 119.240 118.162 1.078 25790 11336 1 29 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.329 -0.213 25790 11337 1 29 . 1 1 44 44 GLN C C 44 179.012 179.012 178.369 0.643 25790 11338 1 29 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.534 0.615 25790 11339 1 29 . 1 1 44 44 GLN CB C 44 28.854 28.854 29.061 -0.207 25790 11340 1 29 . 1 1 44 44 GLN H H 44 8.372 8.372 8.090 0.282 25790 11341 1 29 . 1 1 45 45 HIS N N 45 121.705 121.705 120.280 1.425 25790 11342 1 29 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.350 -0.070 25790 11343 1 29 . 1 1 45 45 HIS C C 45 176.395 176.395 177.194 -0.799 25790 11344 1 29 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.650 0.709 25790 11345 1 29 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.332 1.993 25790 11346 1 29 . 1 1 45 45 HIS H H 45 9.472 9.472 8.493 0.979 25790 11347 1 29 . 1 1 46 46 TYR N N 46 119.039 119.039 120.265 -1.226 25790 11348 1 29 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.336 -0.487 25790 11349 1 29 . 1 1 46 46 TYR C C 46 176.664 176.664 177.890 -1.226 25790 11350 1 29 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.579 -0.328 25790 11351 1 29 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.489 -0.817 25790 11352 1 29 . 1 1 46 46 TYR H H 46 8.253 8.253 8.278 -0.025 25790 11353 1 29 . 1 1 47 47 GLN N N 47 116.407 116.407 117.814 -1.407 25790 11354 1 29 . 1 1 47 47 GLN HA H 47 3.784 3.784 4.022 -0.238 25790 11355 1 29 . 1 1 47 47 GLN C C 47 179.048 179.048 178.527 0.521 25790 11356 1 29 . 1 1 47 47 GLN CA C 47 58.949 58.949 58.982 -0.033 25790 11357 1 29 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.416 -0.235 25790 11358 1 29 . 1 1 47 47 GLN H H 47 7.814 7.814 7.878 -0.064 25790 11359 1 29 . 1 1 48 48 GLN N N 48 119.803 119.803 120.374 -0.571 25790 11360 1 29 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.103 -0.126 25790 11361 1 29 . 1 1 48 48 GLN C C 48 177.741 177.741 178.391 -0.650 25790 11362 1 29 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.769 -0.455 25790 11363 1 29 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.347 -0.019 25790 11364 1 29 . 1 1 48 48 GLN H H 48 8.645 8.645 7.871 0.774 25790 11365 1 29 . 1 1 49 49 TYR N N 49 121.342 121.342 121.999 -0.657 25790 11366 1 29 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.198 -0.558 25790 11367 1 29 . 1 1 49 49 TYR C C 49 176.021 176.021 177.523 -1.502 25790 11368 1 29 . 1 1 49 49 TYR CA C 49 62.109 62.109 60.744 1.365 25790 11369 1 29 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.277 0.630 25790 11370 1 29 . 1 1 49 49 TYR H H 49 9.105 9.105 8.578 0.527 25790 11371 1 29 . 1 1 50 50 MET N N 50 115.522 115.522 118.756 -3.234 25790 11372 1 29 . 1 1 50 50 MET HA H 50 4.040 4.040 3.701 0.339 25790 11373 1 29 . 1 1 50 50 MET C C 50 179.841 179.841 177.999 1.842 25790 11374 1 29 . 1 1 50 50 MET CA C 50 56.623 56.623 58.507 -1.884 25790 11375 1 29 . 1 1 50 50 MET CB C 50 30.099 30.099 32.323 -2.224 25790 11376 1 29 . 1 1 50 50 MET H H 50 8.060 8.060 8.228 -0.168 25790 11377 1 29 . 1 1 51 51 GLN N N 51 118.942 118.942 118.383 0.559 25790 11378 1 29 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.909 0.156 25790 11379 1 29 . 1 1 51 51 GLN C C 51 178.707 178.707 178.268 0.439 25790 11380 1 29 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.258 -0.317 25790 11381 1 29 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.582 -0.093 25790 11382 1 29 . 1 1 51 51 GLN H H 51 7.830 7.830 8.091 -0.261 25790 11383 1 29 . 1 1 52 52 GLN N N 52 119.210 119.210 119.864 -0.654 25790 11384 1 29 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.047 0.010 25790 11385 1 29 . 1 1 52 52 GLN C C 52 178.738 178.738 178.519 0.219 25790 11386 1 29 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.908 -0.159 25790 11387 1 29 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.630 -0.227 25790 11388 1 29 . 1 1 52 52 GLN H H 52 8.187 8.187 7.836 0.351 25790 11389 1 29 . 1 1 53 53 LEU N N 53 121.233 121.233 119.716 1.517 25790 11390 1 29 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.839 0.002 25790 11391 1 29 . 1 1 53 53 LEU C C 53 179.191 179.191 178.707 0.484 25790 11392 1 29 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.423 0.322 25790 11393 1 29 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.479 0.387 25790 11394 1 29 . 1 1 53 53 LEU H H 53 8.441 8.441 7.969 0.472 25790 11395 1 29 . 1 1 54 54 TYR N N 54 118.505 118.505 119.842 -1.337 25790 11396 1 29 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.023 0.295 25790 11397 1 29 . 1 1 54 54 TYR C C 54 177.535 177.535 177.066 0.469 25790 11398 1 29 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.975 -1.498 25790 11399 1 29 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.891 -0.105 25790 11400 1 29 . 1 1 54 54 TYR H H 54 7.819 7.819 7.962 -0.143 25790 11401 1 29 . 1 1 55 55 GLN N N 55 117.299 117.299 117.877 -0.578 25790 11402 1 29 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.538 0.361 25790 11403 1 29 . 1 1 55 55 GLN C C 55 179.041 179.041 178.131 0.910 25790 11404 1 29 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.513 0.196 25790 11405 1 29 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.401 -0.186 25790 11406 1 29 . 1 1 55 55 GLN H H 55 7.735 7.735 7.501 0.234 25790 11407 1 29 . 1 1 56 56 VAL N N 56 120.879 120.879 121.148 -0.269 25790 11408 1 29 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.580 0.212 25790 11409 1 29 . 1 1 56 56 VAL C C 56 178.262 178.262 178.041 0.221 25790 11410 1 29 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.432 -0.490 25790 11411 1 29 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.116 0.763 25790 11412 1 29 . 1 1 56 56 VAL H H 56 8.014 8.014 8.134 -0.120 25790 11413 1 29 . 1 1 57 57 GLN N N 57 120.513 120.513 119.168 1.345 25790 11414 1 29 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.945 0.115 25790 11415 1 29 . 1 1 57 57 GLN C C 57 178.772 178.772 178.876 -0.104 25790 11416 1 29 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.256 -0.640 25790 11417 1 29 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.460 -0.475 25790 11418 1 29 . 1 1 57 57 GLN H H 57 8.103 8.103 8.134 -0.031 25790 11419 1 29 . 1 1 58 58 LEU N N 58 121.244 121.244 118.919 2.325 25790 11420 1 29 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.041 -0.036 25790 11421 1 29 . 1 1 58 58 LEU C C 58 179.134 179.134 178.893 0.241 25790 11422 1 29 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.179 0.327 25790 11423 1 29 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.352 0.451 25790 11424 1 29 . 1 1 58 58 LEU H H 58 8.176 8.176 7.738 0.438 25790 11425 1 29 . 1 1 59 59 ALA N N 59 121.608 121.608 121.713 -0.105 25790 11426 1 29 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.929 0.236 25790 11427 1 29 . 1 1 59 59 ALA C C 59 180.497 180.497 179.838 0.659 25790 11428 1 29 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.008 -0.426 25790 11429 1 29 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.073 -0.020 25790 11430 1 29 . 1 1 59 59 ALA H H 59 7.833 7.833 7.769 0.064 25790 11431 1 29 . 1 1 60 60 GLN N N 60 118.335 118.335 117.476 0.859 25790 11432 1 29 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.986 0.162 25790 11433 1 29 . 1 1 60 60 GLN C C 60 178.334 178.334 178.778 -0.444 25790 11434 1 29 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.541 -0.564 25790 11435 1 29 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.755 -0.320 25790 11436 1 29 . 1 1 60 60 GLN H H 60 8.081 8.081 7.831 0.250 25790 11437 1 29 . 1 1 61 61 GLN N N 61 120.206 120.206 119.114 1.092 25790 11438 1 29 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.987 0.175 25790 11439 1 29 . 1 1 61 61 GLN C C 61 178.002 178.002 178.420 -0.418 25790 11440 1 29 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.897 -0.992 25790 11441 1 29 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.804 -0.225 25790 11442 1 29 . 1 1 61 61 GLN H H 61 8.111 8.111 8.161 -0.050 25790 11443 1 29 . 1 1 62 62 GLN N N 62 118.980 118.980 118.386 0.594 25790 11444 1 29 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.115 0.014 25790 11445 1 29 . 1 1 62 62 GLN C C 62 177.624 177.624 177.925 -0.301 25790 11446 1 29 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.458 -0.822 25790 11447 1 29 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.154 0.482 25790 11448 1 29 . 1 1 62 62 GLN H H 62 8.203 8.203 8.232 -0.029 25790 11449 1 29 . 1 1 63 63 ALA N N 63 122.712 122.712 121.860 0.852 25790 11450 1 29 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.238 -0.032 25790 11451 1 29 . 1 1 63 63 ALA C C 63 178.922 178.922 178.101 0.821 25790 11452 1 29 . 1 1 63 63 ALA CA C 63 53.896 53.896 53.852 0.044 25790 11453 1 29 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.179 0.280 25790 11454 1 29 . 1 1 63 63 ALA H H 63 8.004 8.004 7.781 0.223 25790 11455 1 29 . 1 1 64 64 ALA N N 64 120.813 120.813 120.690 0.123 25790 11456 1 29 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.197 0.035 25790 11457 1 29 . 1 1 64 64 ALA C C 64 178.732 178.732 178.715 0.017 25790 11458 1 29 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.325 0.191 25790 11459 1 29 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.563 -0.933 25790 11460 1 29 . 1 1 64 64 ALA H H 64 7.837 7.837 7.459 0.378 25790 11461 1 29 . 1 1 65 65 LEU N N 65 119.196 119.196 119.103 0.093 25790 11462 1 29 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.080 0.177 25790 11463 1 29 . 1 1 65 65 LEU C C 65 178.038 178.038 177.487 0.551 25790 11464 1 29 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.233 -0.411 25790 11465 1 29 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.617 -0.353 25790 11466 1 29 . 1 1 65 65 LEU H H 65 7.765 7.765 7.668 0.097 25790 11467 1 29 . 1 1 66 66 GLN N N 66 119.365 119.365 114.590 4.775 25790 11468 1 29 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.875 0.400 25790 11469 1 29 . 1 1 66 66 GLN C C 66 176.120 176.120 175.076 1.044 25790 11470 1 29 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.517 -0.449 25790 11471 1 29 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.558 2.574 25790 11472 1 29 . 1 1 66 66 GLN H H 66 7.967 7.967 8.077 -0.110 25790 11473 1 29 . 1 1 67 67 LYS N N 67 121.521 121.521 114.921 6.600 25790 11474 1 29 . 1 1 67 67 LYS HA H 67 4.309 4.309 3.851 0.458 25790 11475 1 29 . 1 1 67 67 LYS C C 67 176.437 176.437 176.094 0.343 25790 11476 1 29 . 1 1 67 67 LYS CA C 67 56.389 56.389 57.343 -0.953 25790 11477 1 29 . 1 1 67 67 LYS CB C 67 33.041 33.041 31.309 1.732 25790 11478 1 29 . 1 1 67 67 LYS H H 67 8.053 8.053 8.398 -0.345 25790 11479 1 29 . 1 1 68 68 GLN N N 68 121.970 121.970 118.093 3.877 25790 11480 1 29 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.223 0.116 25790 11481 1 29 . 1 1 68 68 GLN C C 68 175.120 175.120 175.027 0.093 25790 11482 1 29 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.844 0.156 25790 11483 1 29 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.584 2.914 25790 11484 1 29 . 1 1 68 68 GLN H H 68 8.314 8.314 7.891 0.423 25790 11485 1 30 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.578 -0.131 25790 11486 1 30 . 1 1 2 2 GLN C C 2 176.144 176.144 174.811 1.333 25790 11487 1 30 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.312 0.896 25790 11488 1 30 . 1 1 2 2 GLN CB C 2 29.459 29.459 30.270 -0.811 25790 11489 1 30 . 1 1 3 3 GLN N N 3 122.052 122.052 118.518 3.534 25790 11490 1 30 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.032 0.291 25790 11491 1 30 . 1 1 3 3 GLN C C 3 176.988 176.988 176.199 0.789 25790 11492 1 30 . 1 1 3 3 GLN CA C 3 57.403 57.403 56.478 0.925 25790 11493 1 30 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.156 2.083 25790 11494 1 30 . 1 1 3 3 GLN H H 3 8.780 8.780 8.772 0.008 25790 11495 1 30 . 1 1 4 4 LYS N N 4 121.855 121.855 117.121 4.734 25790 11496 1 30 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.191 -0.187 25790 11497 1 30 . 1 1 4 4 LYS C C 4 177.638 177.638 178.117 -0.479 25790 11498 1 30 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.107 2.132 25790 11499 1 30 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.671 0.028 25790 11500 1 30 . 1 1 4 4 LYS H H 4 8.528 8.528 8.398 0.130 25790 11501 1 30 . 1 1 5 5 GLN N N 5 116.397 116.397 120.731 -4.334 25790 11502 1 30 . 1 1 5 5 GLN HA H 5 3.941 3.941 4.083 -0.142 25790 11503 1 30 . 1 1 5 5 GLN C C 5 178.761 178.761 178.084 0.677 25790 11504 1 30 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.505 0.844 25790 11505 1 30 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.020 -0.070 25790 11506 1 30 . 1 1 5 5 GLN H H 5 8.223 8.223 8.703 -0.480 25790 11507 1 30 . 1 1 6 6 GLN N N 6 119.262 119.262 117.723 1.539 25790 11508 1 30 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.055 0.073 25790 11509 1 30 . 1 1 6 6 GLN C C 6 179.018 179.018 178.479 0.539 25790 11510 1 30 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.807 0.282 25790 11511 1 30 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.248 0.462 25790 11512 1 30 . 1 1 6 6 GLN H H 6 7.848 7.848 8.655 -0.807 25790 11513 1 30 . 1 1 7 7 ILE N N 7 121.296 121.296 119.401 1.895 25790 11514 1 30 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.740 -0.157 25790 11515 1 30 . 1 1 7 7 ILE C C 7 177.833 177.833 177.805 0.028 25790 11516 1 30 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.866 0.263 25790 11517 1 30 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.873 0.333 25790 11518 1 30 . 1 1 7 7 ILE H H 7 8.095 8.095 7.753 0.342 25790 11519 1 30 . 1 1 8 8 MET N N 8 117.603 117.603 118.800 -1.197 25790 11520 1 30 . 1 1 8 8 MET HA H 8 3.985 3.985 4.005 -0.020 25790 11521 1 30 . 1 1 8 8 MET C C 8 177.355 177.355 178.266 -0.911 25790 11522 1 30 . 1 1 8 8 MET CA C 8 59.932 59.932 59.111 0.821 25790 11523 1 30 . 1 1 8 8 MET CB C 8 32.721 32.721 32.037 0.684 25790 11524 1 30 . 1 1 8 8 MET H H 8 8.672 8.672 7.398 1.274 25790 11525 1 30 . 1 1 9 9 ALA N N 9 118.774 118.774 121.730 -2.956 25790 11526 1 30 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.954 0.092 25790 11527 1 30 . 1 1 9 9 ALA C C 9 180.546 180.546 179.241 1.305 25790 11528 1 30 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.206 0.179 25790 11529 1 30 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.806 0.092 25790 11530 1 30 . 1 1 9 9 ALA H H 9 7.795 7.795 8.141 -0.346 25790 11531 1 30 . 1 1 10 10 ALA N N 10 120.854 120.854 122.008 -1.154 25790 11532 1 30 . 1 1 10 10 ALA HA H 10 4.205 4.205 3.951 0.254 25790 11533 1 30 . 1 1 10 10 ALA C C 10 181.200 181.200 179.431 1.769 25790 11534 1 30 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.929 0.083 25790 11535 1 30 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.343 0.918 25790 11536 1 30 . 1 1 10 10 ALA H H 10 7.438 7.438 7.536 -0.098 25790 11537 1 30 . 1 1 11 11 LEU N N 11 120.775 120.775 118.129 2.646 25790 11538 1 30 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.710 0.038 25790 11539 1 30 . 1 1 11 11 LEU C C 11 179.041 179.041 179.240 -0.199 25790 11540 1 30 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.754 0.592 25790 11541 1 30 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.288 -1.311 25790 11542 1 30 . 1 1 11 11 LEU H H 11 8.757 8.757 8.177 0.580 25790 11543 1 30 . 1 1 12 12 ASN N N 12 116.313 116.313 117.564 -1.251 25790 11544 1 30 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.571 -0.007 25790 11545 1 30 . 1 1 12 12 ASN C C 12 178.900 178.900 177.481 1.419 25790 11546 1 30 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.422 -1.357 25790 11547 1 30 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.923 -0.930 25790 11548 1 30 . 1 1 12 12 ASN H H 12 8.850 8.850 8.382 0.468 25790 11549 1 30 . 1 1 13 13 SER N N 13 114.747 114.747 115.675 -0.928 25790 11550 1 30 . 1 1 13 13 SER HA H 13 4.370 4.370 4.224 0.146 25790 11551 1 30 . 1 1 13 13 SER C C 13 176.515 176.515 176.613 -0.098 25790 11552 1 30 . 1 1 13 13 SER CA C 13 61.141 61.141 61.767 -0.627 25790 11553 1 30 . 1 1 13 13 SER CB C 13 63.044 63.044 63.187 -0.143 25790 11554 1 30 . 1 1 13 13 SER H H 13 7.672 7.672 7.891 -0.219 25790 11555 1 30 . 1 1 14 14 GLN N N 14 119.954 119.954 119.181 0.773 25790 11556 1 30 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.144 0.074 25790 11557 1 30 . 1 1 14 14 GLN C C 14 178.208 178.208 176.890 1.318 25790 11558 1 30 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.079 -0.330 25790 11559 1 30 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.734 -0.034 25790 11560 1 30 . 1 1 14 14 GLN H H 14 7.573 7.573 7.747 -0.174 25790 11561 1 30 . 1 1 15 15 THR N N 15 107.493 107.493 106.980 0.513 25790 11562 1 30 . 1 1 15 15 THR HA H 15 3.899 3.899 4.353 -0.454 25790 11563 1 30 . 1 1 15 15 THR C C 15 174.683 174.683 174.233 0.450 25790 11564 1 30 . 1 1 15 15 THR CA C 15 61.551 61.551 60.063 1.488 25790 11565 1 30 . 1 1 15 15 THR CB C 15 69.226 69.226 69.305 -0.078 25790 11566 1 30 . 1 1 15 15 THR H H 15 7.741 7.741 7.218 0.523 25790 11567 1 30 . 1 1 16 16 ALA N N 16 124.034 124.034 126.395 -2.361 25790 11568 1 30 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.057 0.078 25790 11569 1 30 . 1 1 16 16 ALA C C 16 179.899 179.899 178.648 1.251 25790 11570 1 30 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.345 0.862 25790 11571 1 30 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.233 0.491 25790 11572 1 30 . 1 1 16 16 ALA H H 16 6.873 6.873 7.267 -0.394 25790 11573 1 30 . 1 1 17 17 VAL N N 17 117.150 117.150 118.381 -1.231 25790 11574 1 30 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.730 -0.016 25790 11575 1 30 . 1 1 17 17 VAL C C 17 178.537 178.537 177.272 1.265 25790 11576 1 30 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.495 1.014 25790 11577 1 30 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.820 -0.127 25790 11578 1 30 . 1 1 17 17 VAL H H 17 8.162 8.162 8.399 -0.237 25790 11579 1 30 . 1 1 18 18 GLN N N 18 119.489 119.489 119.834 -0.345 25790 11580 1 30 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.035 0.022 25790 11581 1 30 . 1 1 18 18 GLN C C 18 180.429 180.429 178.409 2.020 25790 11582 1 30 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.139 0.560 25790 11583 1 30 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.383 0.804 25790 11584 1 30 . 1 1 18 18 GLN H H 18 8.451 8.451 8.047 0.404 25790 11585 1 30 . 1 1 19 19 PHE N N 19 117.940 117.940 117.993 -0.053 25790 11586 1 30 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.529 0.301 25790 11587 1 30 . 1 1 19 19 PHE C C 19 177.858 177.858 178.027 -0.169 25790 11588 1 30 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.260 -1.231 25790 11589 1 30 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.452 -2.547 25790 11590 1 30 . 1 1 19 19 PHE H H 19 8.924 8.924 8.523 0.401 25790 11591 1 30 . 1 1 20 20 GLN N N 20 120.297 120.297 121.003 -0.706 25790 11592 1 30 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.944 0.162 25790 11593 1 30 . 1 1 20 20 GLN C C 20 178.986 178.986 178.238 0.748 25790 11594 1 30 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.772 -0.208 25790 11595 1 30 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.588 -0.693 25790 11596 1 30 . 1 1 20 20 GLN H H 20 8.264 8.264 7.978 0.286 25790 11597 1 30 . 1 1 21 21 GLN N N 21 118.595 118.595 117.944 0.651 25790 11598 1 30 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.060 0.022 25790 11599 1 30 . 1 1 21 21 GLN C C 21 178.806 178.806 178.689 0.117 25790 11600 1 30 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.870 0.300 25790 11601 1 30 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.643 -0.447 25790 11602 1 30 . 1 1 21 21 GLN H H 21 8.527 8.527 8.222 0.305 25790 11603 1 30 . 1 1 22 22 TYR N N 22 119.594 119.594 120.317 -0.723 25790 11604 1 30 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.262 -0.015 25790 11605 1 30 . 1 1 22 22 TYR C C 22 177.789 177.789 177.929 -0.140 25790 11606 1 30 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.493 1.219 25790 11607 1 30 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.497 0.227 25790 11608 1 30 . 1 1 22 22 TYR H H 22 7.843 7.843 7.691 0.152 25790 11609 1 30 . 1 1 23 23 ALA N N 23 120.663 120.663 122.362 -1.699 25790 11610 1 30 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.872 -0.015 25790 11611 1 30 . 1 1 23 23 ALA C C 23 179.319 179.319 178.627 0.692 25790 11612 1 30 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.586 1.003 25790 11613 1 30 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.118 0.364 25790 11614 1 30 . 1 1 23 23 ALA H H 23 8.612 8.612 8.608 0.004 25790 11615 1 30 . 1 1 24 24 ALA N N 24 119.002 119.002 119.798 -0.796 25790 11616 1 30 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.189 -0.251 25790 11617 1 30 . 1 1 24 24 ALA C C 24 178.987 178.987 178.300 0.687 25790 11618 1 30 . 1 1 24 24 ALA CA C 24 54.317 54.317 53.985 0.332 25790 11619 1 30 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.598 -0.707 25790 11620 1 30 . 1 1 24 24 ALA H H 24 8.168 8.168 8.182 -0.014 25790 11621 1 30 . 1 1 25 25 GLN N N 25 115.599 115.599 115.985 -0.386 25790 11622 1 30 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.107 -0.103 25790 11623 1 30 . 1 1 25 25 GLN C C 25 177.818 177.818 177.040 0.778 25790 11624 1 30 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.528 -0.074 25790 11625 1 30 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.837 -0.382 25790 11626 1 30 . 1 1 25 25 GLN H H 25 7.300 7.300 7.446 -0.146 25790 11627 1 30 . 1 1 26 26 GLN N N 26 116.989 116.989 117.022 -0.033 25790 11628 1 30 . 1 1 26 26 GLN HA H 26 3.704 3.704 4.005 -0.301 25790 11629 1 30 . 1 1 26 26 GLN C C 26 175.979 175.979 176.035 -0.056 25790 11630 1 30 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.802 -0.014 25790 11631 1 30 . 1 1 26 26 GLN CB C 26 29.080 29.080 31.124 -2.044 25790 11632 1 30 . 1 1 26 26 GLN H H 26 7.401 7.401 7.259 0.142 25790 11633 1 30 . 1 1 27 27 TYR N N 27 114.712 114.712 118.631 -3.919 25790 11634 1 30 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.965 0.113 25790 11635 1 30 . 1 1 27 27 TYR C C 27 172.931 172.931 173.604 -0.673 25790 11636 1 30 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.672 0.495 25790 11637 1 30 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.141 1.519 25790 11638 1 30 . 1 1 27 27 TYR H H 27 7.675 7.675 8.282 -0.607 25790 11639 1 30 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.425 -0.063 25790 11640 1 30 . 1 1 28 28 PRO C C 28 179.333 179.333 177.900 1.433 25790 11641 1 30 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.857 0.537 25790 11642 1 30 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.422 -1.168 25790 11643 1 30 . 1 1 29 29 GLY N N 29 110.091 110.091 111.410 -1.319 25790 11644 1 30 . 1 1 29 29 GLY C C 29 173.218 173.218 174.012 -0.794 25790 11645 1 30 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.195 0.717 25790 11646 1 30 . 1 1 29 29 GLY H H 29 8.826 8.826 8.718 0.108 25790 11647 1 30 . 1 1 30 30 ASN N N 30 118.603 118.603 119.358 -0.755 25790 11648 1 30 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.079 -0.080 25790 11649 1 30 . 1 1 30 30 ASN C C 30 173.977 173.977 174.358 -0.381 25790 11650 1 30 . 1 1 30 30 ASN CA C 30 51.185 51.185 52.099 -0.914 25790 11651 1 30 . 1 1 30 30 ASN CB C 30 38.426 38.426 39.215 -0.789 25790 11652 1 30 . 1 1 30 30 ASN H H 30 7.293 7.293 7.683 -0.390 25790 11653 1 30 . 1 1 31 31 TYR N N 31 125.240 125.240 124.162 1.078 25790 11654 1 30 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.322 -0.424 25790 11655 1 30 . 1 1 31 31 TYR C C 31 177.343 177.343 176.470 0.873 25790 11656 1 30 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.047 -0.236 25790 11657 1 30 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.784 -0.427 25790 11658 1 30 . 1 1 31 31 TYR H H 31 8.509 8.509 8.803 -0.294 25790 11659 1 30 . 1 1 32 32 GLU N N 32 118.993 118.993 116.828 2.165 25790 11660 1 30 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.621 0.279 25790 11661 1 30 . 1 1 32 32 GLU C C 32 179.549 179.549 178.384 1.165 25790 11662 1 30 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.447 0.665 25790 11663 1 30 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.976 1.192 25790 11664 1 30 . 1 1 32 32 GLU H H 32 8.714 8.714 8.735 -0.021 25790 11665 1 30 . 1 1 33 33 GLN N N 33 117.037 117.037 117.993 -0.956 25790 11666 1 30 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.936 -0.203 25790 11667 1 30 . 1 1 33 33 GLN C C 33 179.119 179.119 178.650 0.469 25790 11668 1 30 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.190 -0.488 25790 11669 1 30 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.541 0.085 25790 11670 1 30 . 1 1 33 33 GLN H H 33 7.536 7.536 8.212 -0.676 25790 11671 1 30 . 1 1 34 34 GLN N N 34 117.723 117.723 119.693 -1.970 25790 11672 1 30 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.145 -0.334 25790 11673 1 30 . 1 1 34 34 GLN C C 34 177.634 177.634 178.604 -0.970 25790 11674 1 30 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.486 0.679 25790 11675 1 30 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.456 -0.955 25790 11676 1 30 . 1 1 34 34 GLN H H 34 7.968 7.968 8.363 -0.395 25790 11677 1 30 . 1 1 35 35 GLN N N 35 115.293 115.293 118.203 -2.910 25790 11678 1 30 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.051 -0.260 25790 11679 1 30 . 1 1 35 35 GLN C C 35 178.757 178.757 178.706 0.051 25790 11680 1 30 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.287 0.323 25790 11681 1 30 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.216 -0.011 25790 11682 1 30 . 1 1 35 35 GLN H H 35 7.870 7.870 7.717 0.153 25790 11683 1 30 . 1 1 36 36 ILE N N 36 120.769 120.769 120.429 0.340 25790 11684 1 30 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.703 -0.139 25790 11685 1 30 . 1 1 36 36 ILE C C 36 178.273 178.273 178.058 0.215 25790 11686 1 30 . 1 1 36 36 ILE CA C 36 65.236 65.236 64.852 0.384 25790 11687 1 30 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.843 0.530 25790 11688 1 30 . 1 1 36 36 ILE H H 36 7.503 7.503 7.282 0.221 25790 11689 1 30 . 1 1 37 37 LEU N N 37 121.056 121.056 121.826 -0.770 25790 11690 1 30 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.083 0.226 25790 11691 1 30 . 1 1 37 37 LEU C C 37 178.348 178.348 178.246 0.102 25790 11692 1 30 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.048 -0.314 25790 11693 1 30 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.826 -0.310 25790 11694 1 30 . 1 1 37 37 LEU H H 37 7.678 7.678 7.589 0.089 25790 11695 1 30 . 1 1 38 38 ILE N N 38 119.334 119.334 118.702 0.632 25790 11696 1 30 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.530 -0.189 25790 11697 1 30 . 1 1 38 38 ILE C C 38 177.371 177.371 177.896 -0.525 25790 11698 1 30 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.465 1.620 25790 11699 1 30 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.388 0.961 25790 11700 1 30 . 1 1 38 38 ILE H H 38 8.702 8.702 8.028 0.674 25790 11701 1 30 . 1 1 39 39 ARG N N 39 117.798 117.798 119.311 -1.513 25790 11702 1 30 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.919 0.296 25790 11703 1 30 . 1 1 39 39 ARG C C 39 179.555 179.555 178.655 0.900 25790 11704 1 30 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.030 -0.571 25790 11705 1 30 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.887 -0.135 25790 11706 1 30 . 1 1 39 39 ARG H H 39 7.739 7.739 7.649 0.090 25790 11707 1 30 . 1 1 40 40 GLN N N 40 119.432 119.432 119.191 0.241 25790 11708 1 30 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.187 -0.050 25790 11709 1 30 . 1 1 40 40 GLN C C 40 179.522 179.522 178.171 1.351 25790 11710 1 30 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.251 1.009 25790 11711 1 30 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.182 0.176 25790 11712 1 30 . 1 1 40 40 GLN H H 40 7.811 7.811 7.625 0.186 25790 11713 1 30 . 1 1 41 41 LEU N N 41 121.592 121.592 120.772 0.820 25790 11714 1 30 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.672 0.015 25790 11715 1 30 . 1 1 41 41 LEU C C 41 178.974 178.974 179.154 -0.180 25790 11716 1 30 . 1 1 41 41 LEU CA C 41 57.963 57.963 58.008 -0.045 25790 11717 1 30 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.163 -1.310 25790 11718 1 30 . 1 1 41 41 LEU H H 41 8.648 8.648 8.360 0.288 25790 11719 1 30 . 1 1 42 42 GLN N N 42 119.054 119.054 117.259 1.795 25790 11720 1 30 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.164 0.380 25790 11721 1 30 . 1 1 42 42 GLN C C 42 180.176 180.176 178.504 1.672 25790 11722 1 30 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.298 -0.064 25790 11723 1 30 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.608 -0.688 25790 11724 1 30 . 1 1 42 42 GLN H H 42 8.641 8.641 8.428 0.213 25790 11725 1 30 . 1 1 43 43 GLU N N 43 121.517 121.517 120.893 0.624 25790 11726 1 30 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.007 0.229 25790 11727 1 30 . 1 1 43 43 GLU C C 43 179.721 179.721 179.099 0.622 25790 11728 1 30 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.625 0.042 25790 11729 1 30 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.449 -0.191 25790 11730 1 30 . 1 1 43 43 GLU H H 43 8.111 8.111 7.664 0.447 25790 11731 1 30 . 1 1 44 44 GLN N N 44 119.240 119.240 117.744 1.496 25790 11732 1 30 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.303 -0.187 25790 11733 1 30 . 1 1 44 44 GLN C C 44 179.012 179.012 178.550 0.462 25790 11734 1 30 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.454 0.695 25790 11735 1 30 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.603 0.251 25790 11736 1 30 . 1 1 44 44 GLN H H 44 8.372 8.372 8.137 0.235 25790 11737 1 30 . 1 1 45 45 HIS N N 45 121.705 121.705 120.969 0.736 25790 11738 1 30 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.338 -0.058 25790 11739 1 30 . 1 1 45 45 HIS C C 45 176.395 176.395 177.540 -1.145 25790 11740 1 30 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.964 0.395 25790 11741 1 30 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.256 2.069 25790 11742 1 30 . 1 1 45 45 HIS H H 45 9.472 9.472 8.319 1.153 25790 11743 1 30 . 1 1 46 46 TYR N N 46 119.039 119.039 120.025 -0.986 25790 11744 1 30 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.244 -0.395 25790 11745 1 30 . 1 1 46 46 TYR C C 46 176.664 176.664 177.990 -1.326 25790 11746 1 30 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.040 0.211 25790 11747 1 30 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.274 -0.602 25790 11748 1 30 . 1 1 46 46 TYR H H 46 8.253 8.253 8.733 -0.480 25790 11749 1 30 . 1 1 47 47 GLN N N 47 116.407 116.407 117.507 -1.100 25790 11750 1 30 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.844 -0.060 25790 11751 1 30 . 1 1 47 47 GLN C C 47 179.048 179.048 178.193 0.855 25790 11752 1 30 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.070 -0.121 25790 11753 1 30 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.277 -0.096 25790 11754 1 30 . 1 1 47 47 GLN H H 47 7.814 7.814 7.818 -0.004 25790 11755 1 30 . 1 1 48 48 GLN N N 48 119.803 119.803 120.155 -0.352 25790 11756 1 30 . 1 1 48 48 GLN HA H 48 3.977 3.977 3.972 0.005 25790 11757 1 30 . 1 1 48 48 GLN C C 48 177.741 177.741 178.264 -0.523 25790 11758 1 30 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.961 -0.647 25790 11759 1 30 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.631 -0.303 25790 11760 1 30 . 1 1 48 48 GLN H H 48 8.645 8.645 7.638 1.007 25790 11761 1 30 . 1 1 49 49 TYR N N 49 121.342 121.342 120.971 0.371 25790 11762 1 30 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.113 -0.473 25790 11763 1 30 . 1 1 49 49 TYR C C 49 176.021 176.021 177.623 -1.602 25790 11764 1 30 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.691 0.418 25790 11765 1 30 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.496 0.411 25790 11766 1 30 . 1 1 49 49 TYR H H 49 9.105 9.105 8.310 0.795 25790 11767 1 30 . 1 1 50 50 MET N N 50 115.522 115.522 118.498 -2.976 25790 11768 1 30 . 1 1 50 50 MET HA H 50 4.040 4.040 3.818 0.222 25790 11769 1 30 . 1 1 50 50 MET C C 50 179.841 179.841 178.157 1.684 25790 11770 1 30 . 1 1 50 50 MET CA C 50 56.623 56.623 58.770 -2.147 25790 11771 1 30 . 1 1 50 50 MET CB C 50 30.099 30.099 32.310 -2.211 25790 11772 1 30 . 1 1 50 50 MET H H 50 8.060 8.060 8.240 -0.180 25790 11773 1 30 . 1 1 51 51 GLN N N 51 118.942 118.942 118.626 0.316 25790 11774 1 30 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.914 0.150 25790 11775 1 30 . 1 1 51 51 GLN C C 51 178.707 178.707 178.207 0.500 25790 11776 1 30 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.257 -0.316 25790 11777 1 30 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.599 -0.110 25790 11778 1 30 . 1 1 51 51 GLN H H 51 7.830 7.830 8.155 -0.325 25790 11779 1 30 . 1 1 52 52 GLN N N 52 119.210 119.210 120.069 -0.859 25790 11780 1 30 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.014 0.043 25790 11781 1 30 . 1 1 52 52 GLN C C 52 178.738 178.738 178.519 0.219 25790 11782 1 30 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.348 0.401 25790 11783 1 30 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.198 0.205 25790 11784 1 30 . 1 1 52 52 GLN H H 52 8.187 8.187 7.835 0.352 25790 11785 1 30 . 1 1 53 53 LEU N N 53 121.233 121.233 119.400 1.833 25790 11786 1 30 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.813 0.028 25790 11787 1 30 . 1 1 53 53 LEU C C 53 179.191 179.191 178.700 0.491 25790 11788 1 30 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.623 0.122 25790 11789 1 30 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.480 0.386 25790 11790 1 30 . 1 1 53 53 LEU H H 53 8.441 8.441 8.042 0.399 25790 11791 1 30 . 1 1 54 54 TYR N N 54 118.505 118.505 119.607 -1.102 25790 11792 1 30 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.019 0.299 25790 11793 1 30 . 1 1 54 54 TYR C C 54 177.535 177.535 177.111 0.424 25790 11794 1 30 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.044 -1.567 25790 11795 1 30 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.924 -0.138 25790 11796 1 30 . 1 1 54 54 TYR H H 54 7.819 7.819 7.744 0.075 25790 11797 1 30 . 1 1 55 55 GLN N N 55 117.299 117.299 118.331 -1.032 25790 11798 1 30 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.557 0.342 25790 11799 1 30 . 1 1 55 55 GLN C C 55 179.041 179.041 178.275 0.766 25790 11800 1 30 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.681 0.028 25790 11801 1 30 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.353 -0.138 25790 11802 1 30 . 1 1 55 55 GLN H H 55 7.735 7.735 7.467 0.268 25790 11803 1 30 . 1 1 56 56 VAL N N 56 120.879 120.879 120.571 0.308 25790 11804 1 30 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.618 0.174 25790 11805 1 30 . 1 1 56 56 VAL C C 56 178.262 178.262 178.113 0.149 25790 11806 1 30 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.063 -0.121 25790 11807 1 30 . 1 1 56 56 VAL CB C 56 31.879 31.879 30.735 1.144 25790 11808 1 30 . 1 1 56 56 VAL H H 56 8.014 8.014 8.237 -0.223 25790 11809 1 30 . 1 1 57 57 GLN N N 57 120.513 120.513 119.137 1.376 25790 11810 1 30 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.989 0.071 25790 11811 1 30 . 1 1 57 57 GLN C C 57 178.772 178.772 179.098 -0.326 25790 11812 1 30 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.065 -0.449 25790 11813 1 30 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.386 -0.401 25790 11814 1 30 . 1 1 57 57 GLN H H 57 8.103 8.103 8.210 -0.107 25790 11815 1 30 . 1 1 58 58 LEU N N 58 121.244 121.244 119.352 1.892 25790 11816 1 30 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.899 0.106 25790 11817 1 30 . 1 1 58 58 LEU C C 58 179.134 179.134 178.589 0.545 25790 11818 1 30 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.381 0.125 25790 11819 1 30 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.245 0.558 25790 11820 1 30 . 1 1 58 58 LEU H H 58 8.176 8.176 7.802 0.374 25790 11821 1 30 . 1 1 59 59 ALA N N 59 121.608 121.608 121.817 -0.209 25790 11822 1 30 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.883 0.282 25790 11823 1 30 . 1 1 59 59 ALA C C 59 180.497 180.497 179.988 0.509 25790 11824 1 30 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.111 -0.528 25790 11825 1 30 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.020 0.033 25790 11826 1 30 . 1 1 59 59 ALA H H 59 7.833 7.833 7.869 -0.036 25790 11827 1 30 . 1 1 60 60 GLN N N 60 118.335 118.335 117.222 1.113 25790 11828 1 30 . 1 1 60 60 GLN HA H 60 4.148 4.148 4.003 0.145 25790 11829 1 30 . 1 1 60 60 GLN C C 60 178.334 178.334 178.803 -0.469 25790 11830 1 30 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.590 -0.613 25790 11831 1 30 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.701 -0.266 25790 11832 1 30 . 1 1 60 60 GLN H H 60 8.081 8.081 8.123 -0.042 25790 11833 1 30 . 1 1 61 61 GLN N N 61 120.206 120.206 119.369 0.837 25790 11834 1 30 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.992 0.170 25790 11835 1 30 . 1 1 61 61 GLN C C 61 178.002 178.002 178.443 -0.441 25790 11836 1 30 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.180 -1.275 25790 11837 1 30 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.561 0.018 25790 11838 1 30 . 1 1 61 61 GLN H H 61 8.111 8.111 8.201 -0.090 25790 11839 1 30 . 1 1 62 62 GLN N N 62 118.980 118.980 118.213 0.767 25790 11840 1 30 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.084 0.045 25790 11841 1 30 . 1 1 62 62 GLN C C 62 177.624 177.624 178.048 -0.424 25790 11842 1 30 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.590 -0.954 25790 11843 1 30 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.021 0.615 25790 11844 1 30 . 1 1 62 62 GLN H H 62 8.203 8.203 8.562 -0.359 25790 11845 1 30 . 1 1 63 63 ALA N N 63 122.712 122.712 122.639 0.073 25790 11846 1 30 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.127 0.079 25790 11847 1 30 . 1 1 63 63 ALA C C 63 178.922 178.922 178.917 0.005 25790 11848 1 30 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.289 -0.393 25790 11849 1 30 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.079 0.380 25790 11850 1 30 . 1 1 63 63 ALA H H 63 8.004 8.004 7.638 0.366 25790 11851 1 30 . 1 1 64 64 ALA N N 64 120.813 120.813 120.313 0.500 25790 11852 1 30 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.067 0.165 25790 11853 1 30 . 1 1 64 64 ALA C C 64 178.732 178.732 179.165 -0.433 25790 11854 1 30 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.829 -0.313 25790 11855 1 30 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.149 -0.519 25790 11856 1 30 . 1 1 64 64 ALA H H 64 7.837 7.837 7.633 0.204 25790 11857 1 30 . 1 1 65 65 LEU N N 65 119.196 119.196 118.267 0.929 25790 11858 1 30 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.081 0.176 25790 11859 1 30 . 1 1 65 65 LEU C C 65 178.038 178.038 177.354 0.684 25790 11860 1 30 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.870 -0.048 25790 11861 1 30 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.566 -0.303 25790 11862 1 30 . 1 1 65 65 LEU H H 65 7.765 7.765 7.842 -0.077 25790 11863 1 30 . 1 1 66 66 GLN N N 66 119.365 119.365 115.049 4.316 25790 11864 1 30 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.922 0.353 25790 11865 1 30 . 1 1 66 66 GLN C C 66 176.120 176.120 175.777 0.343 25790 11866 1 30 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.846 -0.778 25790 11867 1 30 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.204 2.928 25790 11868 1 30 . 1 1 66 66 GLN H H 66 7.967 7.967 7.988 -0.021 25790 11869 1 30 . 1 1 67 67 LYS N N 67 121.521 121.521 118.288 3.233 25790 11870 1 30 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.363 -0.054 25790 11871 1 30 . 1 1 67 67 LYS C C 67 176.437 176.437 175.719 0.718 25790 11872 1 30 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.857 0.532 25790 11873 1 30 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.131 -0.090 25790 11874 1 30 . 1 1 67 67 LYS H H 67 8.053 8.053 8.229 -0.176 25790 11875 1 30 . 1 1 68 68 GLN N N 68 121.970 121.970 119.129 2.841 25790 11876 1 30 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.312 0.027 25790 11877 1 30 . 1 1 68 68 GLN C C 68 175.120 175.120 175.774 -0.654 25790 11878 1 30 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.883 0.117 25790 11879 1 30 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.814 2.684 25790 11880 1 30 . 1 1 68 68 GLN H H 68 8.314 8.314 8.188 0.126 25790 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 65 1.789 0.107 1.800 25790 2 1 1 "Average Difference" HA 68 0.189 -0.018 0.190 25790 3 1 1 "Average Difference" C 67 0.827 -0.277 0.785 25790 4 1 1 "Average Difference" CA 67 0.774 -0.052 0.778 25790 5 1 1 "Average Difference" CB 66 0.919 0.065 0.924 25790 6 1 1 "Average Difference" HN 65 0.402 -0.099 0.393 25790 7 1 2 "Average Difference" N 65 1.734 0.088 1.745 25790 8 1 2 "Average Difference" HA 68 0.200 -0.023 0.201 25790 9 1 2 "Average Difference" C 67 0.794 -0.237 0.764 25790 10 1 2 "Average Difference" CA 67 0.758 -0.072 0.760 25790 11 1 2 "Average Difference" CB 66 0.950 -0.087 0.954 25790 12 1 2 "Average Difference" HN 65 0.455 -0.131 0.439 25790 13 1 3 "Average Difference" N 65 1.880 0.069 1.893 25790 14 1 3 "Average Difference" HA 68 0.207 -0.008 0.209 25790 15 1 3 "Average Difference" C 67 0.815 -0.244 0.783 25790 16 1 3 "Average Difference" CA 67 0.771 -0.056 0.775 25790 17 1 3 "Average Difference" CB 66 0.961 -0.067 0.966 25790 18 1 3 "Average Difference" HN 65 0.363 -0.058 0.362 25790 19 1 4 "Average Difference" N 65 1.730 0.146 1.737 25790 20 1 4 "Average Difference" HA 68 0.216 -0.021 0.217 25790 21 1 4 "Average Difference" C 67 0.812 -0.258 0.775 25790 22 1 4 "Average Difference" CA 67 0.808 -0.103 0.807 25790 23 1 4 "Average Difference" CB 66 0.957 0.001 0.965 25790 24 1 4 "Average Difference" HN 65 0.463 -0.088 0.458 25790 25 1 5 "Average Difference" N 65 2.069 -0.028 2.085 25790 26 1 5 "Average Difference" HA 68 0.201 -0.035 0.200 25790 27 1 5 "Average Difference" C 67 0.820 -0.222 0.795 25790 28 1 5 "Average Difference" CA 67 0.718 -0.031 0.723 25790 29 1 5 "Average Difference" CB 66 0.948 -0.049 0.954 25790 30 1 5 "Average Difference" HN 65 0.433 -0.076 0.430 25790 31 1 6 "Average Difference" N 65 1.739 0.277 1.730 25790 32 1 6 "Average Difference" HA 68 0.196 -0.029 0.195 25790 33 1 6 "Average Difference" C 67 0.816 -0.277 0.773 25790 34 1 6 "Average Difference" CA 67 0.770 -0.055 0.773 25790 35 1 6 "Average Difference" CB 66 0.929 -0.009 0.936 25790 36 1 6 "Average Difference" HN 65 0.388 -0.055 0.387 25790 37 1 7 "Average Difference" N 65 2.032 -0.001 2.047 25790 38 1 7 "Average Difference" HA 68 0.180 -0.018 0.180 25790 39 1 7 "Average Difference" C 67 0.840 -0.278 0.798 25790 40 1 7 "Average Difference" CA 67 0.819 -0.113 0.817 25790 41 1 7 "Average Difference" CB 66 0.973 -0.033 0.980 25790 42 1 7 "Average Difference" HN 65 0.398 -0.077 0.394 25790 43 1 8 "Average Difference" N 65 1.748 0.313 1.734 25790 44 1 8 "Average Difference" HA 68 0.187 -0.021 0.187 25790 45 1 8 "Average Difference" C 67 0.856 -0.315 0.802 25790 46 1 8 "Average Difference" CA 67 0.827 -0.040 0.832 25790 47 1 8 "Average Difference" CB 66 0.837 0.034 0.843 25790 48 1 8 "Average Difference" HN 65 0.337 -0.001 0.340 25790 49 1 9 "Average Difference" N 65 1.586 0.184 1.588 25790 50 1 9 "Average Difference" HA 68 0.216 -0.036 0.215 25790 51 1 9 "Average Difference" C 67 0.813 -0.240 0.782 25790 52 1 9 "Average Difference" CA 67 0.776 -0.049 0.780 25790 53 1 9 "Average Difference" CB 66 1.002 -0.073 1.007 25790 54 1 9 "Average Difference" HN 65 0.456 -0.110 0.446 25790 55 1 10 "Average Difference" N 65 1.704 0.143 1.711 25790 56 1 10 "Average Difference" HA 68 0.206 -0.017 0.207 25790 57 1 10 "Average Difference" C 67 0.818 -0.227 0.792 25790 58 1 10 "Average Difference" CA 67 0.819 -0.077 0.822 25790 59 1 10 "Average Difference" CB 66 0.983 -0.043 0.990 25790 60 1 10 "Average Difference" HN 65 0.461 -0.094 0.455 25790 61 1 11 "Average Difference" N 65 1.884 0.105 1.896 25790 62 1 11 "Average Difference" HA 68 0.200 -0.031 0.199 25790 63 1 11 "Average Difference" C 67 0.831 -0.156 0.822 25790 64 1 11 "Average Difference" CA 67 0.772 0.029 0.777 25790 65 1 11 "Average Difference" CB 66 1.003 -0.089 1.006 25790 66 1 11 "Average Difference" HN 65 0.414 -0.069 0.411 25790 67 1 12 "Average Difference" N 65 1.698 0.199 1.700 25790 68 1 12 "Average Difference" HA 68 0.205 -0.027 0.205 25790 69 1 12 "Average Difference" C 67 0.872 -0.264 0.837 25790 70 1 12 "Average Difference" CA 67 0.826 -0.014 0.832 25790 71 1 12 "Average Difference" CB 66 0.950 -0.032 0.956 25790 72 1 12 "Average Difference" HN 65 0.406 -0.037 0.407 25790 73 1 13 "Average Difference" N 65 1.625 0.071 1.636 25790 74 1 13 "Average Difference" HA 68 0.200 -0.035 0.198 25790 75 1 13 "Average Difference" C 67 0.850 -0.218 0.827 25790 76 1 13 "Average Difference" CA 67 0.812 -0.072 0.815 25790 77 1 13 "Average Difference" CB 66 0.934 -0.038 0.941 25790 78 1 13 "Average Difference" HN 65 0.453 -0.131 0.437 25790 79 1 14 "Average Difference" N 65 1.703 0.012 1.716 25790 80 1 14 "Average Difference" HA 68 0.197 -0.021 0.198 25790 81 1 14 "Average Difference" C 67 0.827 -0.247 0.795 25790 82 1 14 "Average Difference" CA 67 0.876 -0.046 0.881 25790 83 1 14 "Average Difference" CB 66 1.009 0.028 1.016 25790 84 1 14 "Average Difference" HN 65 0.397 -0.117 0.383 25790 85 1 15 "Average Difference" N 65 1.923 -0.081 1.936 25790 86 1 15 "Average Difference" HA 68 0.196 -0.032 0.195 25790 87 1 15 "Average Difference" C 67 0.805 -0.217 0.781 25790 88 1 15 "Average Difference" CA 67 0.745 -0.048 0.750 25790 89 1 15 "Average Difference" CB 66 0.950 -0.033 0.957 25790 90 1 15 "Average Difference" HN 65 0.376 -0.106 0.363 25790 91 1 16 "Average Difference" N 65 1.763 0.057 1.776 25790 92 1 16 "Average Difference" HA 68 0.209 -0.039 0.207 25790 93 1 16 "Average Difference" C 67 0.869 -0.289 0.825 25790 94 1 16 "Average Difference" CA 67 0.773 -0.061 0.776 25790 95 1 16 "Average Difference" CB 66 0.866 0.015 0.873 25790 96 1 16 "Average Difference" HN 65 0.433 -0.067 0.431 25790 97 1 17 "Average Difference" N 65 1.725 0.008 1.739 25790 98 1 17 "Average Difference" HA 68 0.201 -0.029 0.201 25790 99 1 17 "Average Difference" C 67 0.858 -0.338 0.795 25790 100 1 17 "Average Difference" CA 67 0.756 -0.067 0.759 25790 101 1 17 "Average Difference" CB 66 0.964 0.005 0.971 25790 102 1 17 "Average Difference" HN 65 0.448 -0.090 0.442 25790 103 1 18 "Average Difference" N 65 1.748 0.314 1.733 25790 104 1 18 "Average Difference" HA 68 0.200 -0.025 0.199 25790 105 1 18 "Average Difference" C 67 0.818 -0.202 0.799 25790 106 1 18 "Average Difference" CA 67 0.663 -0.023 0.667 25790 107 1 18 "Average Difference" CB 66 0.945 -0.048 0.951 25790 108 1 18 "Average Difference" HN 65 0.417 -0.026 0.419 25790 109 1 19 "Average Difference" N 65 1.810 0.246 1.807 25790 110 1 19 "Average Difference" HA 68 0.193 -0.016 0.194 25790 111 1 19 "Average Difference" C 67 0.836 -0.290 0.790 25790 112 1 19 "Average Difference" CA 67 0.753 -0.032 0.758 25790 113 1 19 "Average Difference" CB 66 0.911 -0.020 0.918 25790 114 1 19 "Average Difference" HN 65 0.406 -0.069 0.403 25790 115 1 20 "Average Difference" N 65 1.694 0.167 1.699 25790 116 1 20 "Average Difference" HA 68 0.195 -0.019 0.196 25790 117 1 20 "Average Difference" C 67 0.788 -0.242 0.756 25790 118 1 20 "Average Difference" CA 67 0.747 -0.117 0.744 25790 119 1 20 "Average Difference" CB 66 0.927 -0.112 0.927 25790 120 1 20 "Average Difference" HN 65 0.418 -0.082 0.413 25790 121 1 21 "Average Difference" N 65 1.989 -0.022 2.004 25790 122 1 21 "Average Difference" HA 68 0.208 -0.039 0.206 25790 123 1 21 "Average Difference" C 67 0.849 -0.257 0.815 25790 124 1 21 "Average Difference" CA 67 0.711 0.034 0.716 25790 125 1 21 "Average Difference" CB 66 0.928 -0.079 0.931 25790 126 1 21 "Average Difference" HN 65 0.446 -0.104 0.437 25790 127 1 22 "Average Difference" N 65 1.687 0.137 1.695 25790 128 1 22 "Average Difference" HA 68 0.199 -0.020 0.199 25790 129 1 22 "Average Difference" C 67 0.792 -0.238 0.761 25790 130 1 22 "Average Difference" CA 67 0.794 -0.055 0.798 25790 131 1 22 "Average Difference" CB 66 1.033 -0.045 1.040 25790 132 1 22 "Average Difference" HN 65 0.421 -0.082 0.416 25790 133 1 23 "Average Difference" N 65 1.874 0.020 1.888 25790 134 1 23 "Average Difference" HA 68 0.199 -0.037 0.197 25790 135 1 23 "Average Difference" C 67 0.845 -0.275 0.805 25790 136 1 23 "Average Difference" CA 67 0.694 -0.084 0.694 25790 137 1 23 "Average Difference" CB 66 0.983 -0.032 0.990 25790 138 1 23 "Average Difference" HN 65 0.456 -0.124 0.443 25790 139 1 24 "Average Difference" N 65 1.795 0.040 1.809 25790 140 1 24 "Average Difference" HA 68 0.212 -0.006 0.213 25790 141 1 24 "Average Difference" C 67 0.845 -0.317 0.789 25790 142 1 24 "Average Difference" CA 67 0.796 -0.096 0.796 25790 143 1 24 "Average Difference" CB 66 0.934 -0.002 0.941 25790 144 1 24 "Average Difference" HN 65 0.449 -0.068 0.447 25790 145 1 25 "Average Difference" N 65 1.725 0.184 1.729 25790 146 1 25 "Average Difference" HA 68 0.189 -0.013 0.190 25790 147 1 25 "Average Difference" C 67 0.822 -0.235 0.794 25790 148 1 25 "Average Difference" CA 67 0.748 -0.119 0.744 25790 149 1 25 "Average Difference" CB 66 0.901 -0.063 0.905 25790 150 1 25 "Average Difference" HN 65 0.412 -0.115 0.399 25790 151 1 26 "Average Difference" N 65 1.625 0.091 1.636 25790 152 1 26 "Average Difference" HA 68 0.218 -0.032 0.217 25790 153 1 26 "Average Difference" C 67 0.831 -0.282 0.788 25790 154 1 26 "Average Difference" CA 67 0.837 -0.170 0.826 25790 155 1 26 "Average Difference" CB 66 0.825 0.005 0.831 25790 156 1 26 "Average Difference" HN 65 0.493 -0.091 0.489 25790 157 1 27 "Average Difference" N 65 1.657 0.154 1.663 25790 158 1 27 "Average Difference" HA 68 0.211 -0.009 0.212 25790 159 1 27 "Average Difference" C 67 0.799 -0.277 0.755 25790 160 1 27 "Average Difference" CA 67 0.841 -0.079 0.843 25790 161 1 27 "Average Difference" CB 66 0.935 0.027 0.941 25790 162 1 27 "Average Difference" HN 65 0.403 -0.052 0.402 25790 163 1 28 "Average Difference" N 65 1.847 0.124 1.857 25790 164 1 28 "Average Difference" HA 68 0.192 -0.031 0.191 25790 165 1 28 "Average Difference" C 67 0.847 -0.266 0.810 25790 166 1 28 "Average Difference" CA 67 0.790 -0.085 0.792 25790 167 1 28 "Average Difference" CB 66 0.908 -0.005 0.915 25790 168 1 28 "Average Difference" HN 65 0.446 -0.086 0.441 25790 169 1 29 "Average Difference" N 65 1.941 0.164 1.949 25790 170 1 29 "Average Difference" HA 68 0.226 -0.002 0.228 25790 171 1 29 "Average Difference" C 67 0.870 -0.335 0.809 25790 172 1 29 "Average Difference" CA 67 0.788 -0.137 0.782 25790 173 1 29 "Average Difference" CB 66 0.948 0.017 0.955 25790 174 1 29 "Average Difference" HN 65 0.407 -0.130 0.389 25790 175 1 30 "Average Difference" N 65 1.777 -0.062 1.790 25790 176 1 30 "Average Difference" HA 68 0.208 -0.026 0.207 25790 177 1 30 "Average Difference" C 67 0.857 -0.321 0.801 25790 178 1 30 "Average Difference" CA 67 0.769 -0.098 0.769 25790 179 1 30 "Average Difference" CB 66 0.964 -0.017 0.971 25790 180 1 30 "Average Difference" HN 65 0.410 -0.083 0.404 25790 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 25790 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.436 0.011 25790 2 1 . 1 1 2 2 GLN C C 2 176.144 176.144 175.584 0.560 25790 3 1 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.995 0.214 25790 4 1 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.139 0.320 25790 5 1 . 1 1 3 3 GLN N N 3 122.052 122.052 120.212 1.840 25790 6 1 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.317 0.006 25790 7 1 . 1 1 3 3 GLN C C 3 176.988 176.988 176.307 0.681 25790 8 1 . 1 1 3 3 GLN CA C 3 57.403 57.403 56.035 1.368 25790 9 1 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.552 0.687 25790 10 1 . 1 1 3 3 GLN H H 3 8.780 8.780 8.507 0.273 25790 11 1 . 1 1 4 4 LYS N N 4 121.855 121.855 120.883 0.972 25790 12 1 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.140 -0.136 25790 13 1 . 1 1 4 4 LYS C C 4 177.638 177.638 178.222 -0.584 25790 14 1 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.192 1.047 25790 15 1 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.432 0.267 25790 16 1 . 1 1 4 4 LYS H H 4 8.528 8.528 8.449 0.079 25790 17 1 . 1 1 5 5 GLN N N 5 116.397 116.397 118.207 -1.810 25790 18 1 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.997 -0.056 25790 19 1 . 1 1 5 5 GLN C C 5 178.761 178.761 178.243 0.518 25790 20 1 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.727 0.622 25790 21 1 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.029 -0.079 25790 22 1 . 1 1 5 5 GLN H H 5 8.223 8.223 8.414 -0.191 25790 23 1 . 1 1 6 6 GLN N N 6 119.262 119.262 118.800 0.462 25790 24 1 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.086 0.042 25790 25 1 . 1 1 6 6 GLN C C 6 179.018 179.018 178.506 0.512 25790 26 1 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.778 0.311 25790 27 1 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.288 0.422 25790 28 1 . 1 1 6 6 GLN H H 6 7.848 7.848 8.049 -0.201 25790 29 1 . 1 1 7 7 ILE N N 7 121.296 121.296 120.256 1.040 25790 30 1 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.741 -0.158 25790 31 1 . 1 1 7 7 ILE C C 7 177.833 177.833 177.934 -0.101 25790 32 1 . 1 1 7 7 ILE CA C 7 65.129 65.129 64.916 0.213 25790 33 1 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.817 0.389 25790 34 1 . 1 1 7 7 ILE H H 7 8.095 8.095 7.543 0.552 25790 35 1 . 1 1 8 8 MET N N 8 117.603 117.603 118.917 -1.314 25790 36 1 . 1 1 8 8 MET HA H 8 3.985 3.985 4.023 -0.038 25790 37 1 . 1 1 8 8 MET C C 8 177.355 177.355 178.383 -1.028 25790 38 1 . 1 1 8 8 MET CA C 8 59.932 59.932 58.958 0.974 25790 39 1 . 1 1 8 8 MET CB C 8 32.721 32.721 31.921 0.800 25790 40 1 . 1 1 8 8 MET H H 8 8.672 8.672 7.800 0.872 25790 41 1 . 1 1 9 9 ALA N N 9 118.774 118.774 121.546 -2.772 25790 42 1 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.992 0.054 25790 43 1 . 1 1 9 9 ALA C C 9 180.546 180.546 179.202 1.344 25790 44 1 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.104 0.281 25790 45 1 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.921 -0.023 25790 46 1 . 1 1 9 9 ALA H H 9 7.795 7.795 8.207 -0.412 25790 47 1 . 1 1 10 10 ALA N N 10 120.854 120.854 121.639 -0.785 25790 48 1 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.013 0.192 25790 49 1 . 1 1 10 10 ALA C C 10 181.200 181.200 179.581 1.619 25790 50 1 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.830 0.182 25790 51 1 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.352 0.909 25790 52 1 . 1 1 10 10 ALA H H 10 7.438 7.438 7.606 -0.168 25790 53 1 . 1 1 11 11 LEU N N 11 120.775 120.775 118.466 2.309 25790 54 1 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.791 -0.043 25790 55 1 . 1 1 11 11 LEU C C 11 179.041 179.041 179.239 -0.198 25790 56 1 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.700 0.646 25790 57 1 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.398 -1.421 25790 58 1 . 1 1 11 11 LEU H H 11 8.757 8.757 8.176 0.581 25790 59 1 . 1 1 12 12 ASN N N 12 116.313 116.313 117.988 -1.675 25790 60 1 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.485 0.079 25790 61 1 . 1 1 12 12 ASN C C 12 178.900 178.900 177.602 1.298 25790 62 1 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.000 -1.935 25790 63 1 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.226 -1.233 25790 64 1 . 1 1 12 12 ASN H H 12 8.850 8.850 8.457 0.393 25790 65 1 . 1 1 13 13 SER N N 13 114.747 114.747 115.378 -0.631 25790 66 1 . 1 1 13 13 SER HA H 13 4.370 4.370 4.192 0.178 25790 67 1 . 1 1 13 13 SER C C 13 176.515 176.515 176.441 0.074 25790 68 1 . 1 1 13 13 SER CA C 13 61.141 61.141 61.273 -0.132 25790 69 1 . 1 1 13 13 SER CB C 13 63.044 63.044 63.034 0.010 25790 70 1 . 1 1 13 13 SER H H 13 7.672 7.672 7.750 -0.078 25790 71 1 . 1 1 14 14 GLN N N 14 119.954 119.954 118.534 1.420 25790 72 1 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.144 0.073 25790 73 1 . 1 1 14 14 GLN C C 14 178.208 178.208 177.352 0.856 25790 74 1 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.970 -0.221 25790 75 1 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.014 -0.314 25790 76 1 . 1 1 14 14 GLN H H 14 7.573 7.573 7.715 -0.142 25790 77 1 . 1 1 15 15 THR N N 15 107.493 107.493 107.486 0.007 25790 78 1 . 1 1 15 15 THR HA H 15 3.899 3.899 4.260 -0.361 25790 79 1 . 1 1 15 15 THR C C 15 174.683 174.683 174.729 -0.046 25790 80 1 . 1 1 15 15 THR CA C 15 61.551 61.551 60.944 0.607 25790 81 1 . 1 1 15 15 THR CB C 15 69.226 69.226 69.175 0.051 25790 82 1 . 1 1 15 15 THR H H 15 7.741 7.741 7.517 0.224 25790 83 1 . 1 1 16 16 ALA N N 16 124.034 124.034 126.208 -2.174 25790 84 1 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.984 0.151 25790 85 1 . 1 1 16 16 ALA C C 16 179.899 179.899 178.767 1.132 25790 86 1 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.594 0.613 25790 87 1 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.976 0.749 25790 88 1 . 1 1 16 16 ALA H H 16 6.873 6.873 7.487 -0.614 25790 89 1 . 1 1 17 17 VAL N N 17 117.150 117.150 118.387 -1.237 25790 90 1 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.795 -0.081 25790 91 1 . 1 1 17 17 VAL C C 17 178.537 178.537 177.272 1.265 25790 92 1 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.790 1.718 25790 93 1 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.418 0.276 25790 94 1 . 1 1 17 17 VAL H H 17 8.162 8.162 8.309 -0.147 25790 95 1 . 1 1 18 18 GLN N N 18 119.489 119.489 120.323 -0.834 25790 96 1 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.058 -0.001 25790 97 1 . 1 1 18 18 GLN C C 18 180.429 180.429 178.483 1.946 25790 98 1 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.178 0.521 25790 99 1 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.374 0.812 25790 100 1 . 1 1 18 18 GLN H H 18 8.451 8.451 8.100 0.351 25790 101 1 . 1 1 19 19 PHE N N 19 117.940 117.940 117.804 0.136 25790 102 1 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.559 0.271 25790 103 1 . 1 1 19 19 PHE C C 19 177.858 177.858 178.000 -0.142 25790 104 1 . 1 1 19 19 PHE CA C 19 57.029 57.029 57.954 -0.925 25790 105 1 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.394 -2.489 25790 106 1 . 1 1 19 19 PHE H H 19 8.924 8.924 8.539 0.385 25790 107 1 . 1 1 20 20 GLN N N 20 120.297 120.297 121.049 -0.752 25790 108 1 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.963 0.143 25790 109 1 . 1 1 20 20 GLN C C 20 178.986 178.986 178.226 0.760 25790 110 1 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.829 -0.266 25790 111 1 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.544 -0.649 25790 112 1 . 1 1 20 20 GLN H H 20 8.264 8.264 8.052 0.212 25790 113 1 . 1 1 21 21 GLN N N 21 118.595 118.595 118.070 0.525 25790 114 1 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.060 0.022 25790 115 1 . 1 1 21 21 GLN C C 21 178.806 178.806 178.597 0.209 25790 116 1 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.690 0.480 25790 117 1 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.589 -0.393 25790 118 1 . 1 1 21 21 GLN H H 21 8.527 8.527 8.014 0.513 25790 119 1 . 1 1 22 22 TYR N N 22 119.594 119.594 121.205 -1.611 25790 120 1 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.163 0.084 25790 121 1 . 1 1 22 22 TYR C C 22 177.789 177.789 177.058 0.731 25790 122 1 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.807 0.905 25790 123 1 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.432 0.292 25790 124 1 . 1 1 22 22 TYR H H 22 7.843 7.843 7.704 0.139 25790 125 1 . 1 1 23 23 ALA N N 23 120.663 120.663 121.091 -0.428 25790 126 1 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.737 0.120 25790 127 1 . 1 1 23 23 ALA C C 23 179.319 179.319 178.810 0.509 25790 128 1 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.810 0.779 25790 129 1 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.178 0.304 25790 130 1 . 1 1 23 23 ALA H H 23 8.612 8.612 8.572 0.040 25790 131 1 . 1 1 24 24 ALA N N 24 119.002 119.002 119.787 -0.785 25790 132 1 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.113 -0.175 25790 133 1 . 1 1 24 24 ALA C C 24 178.987 178.987 178.767 0.220 25790 134 1 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.180 0.137 25790 135 1 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.486 -0.595 25790 136 1 . 1 1 24 24 ALA H H 24 8.168 8.168 8.089 0.079 25790 137 1 . 1 1 25 25 GLN N N 25 115.599 115.599 116.227 -0.628 25790 138 1 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.060 -0.056 25790 139 1 . 1 1 25 25 GLN C C 25 177.818 177.818 177.401 0.417 25790 140 1 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.900 -0.446 25790 141 1 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.717 -0.262 25790 142 1 . 1 1 25 25 GLN H H 25 7.300 7.300 7.518 -0.218 25790 143 1 . 1 1 26 26 GLN N N 26 116.989 116.989 116.835 0.154 25790 144 1 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.983 -0.279 25790 145 1 . 1 1 26 26 GLN C C 26 175.979 175.979 176.120 -0.141 25790 146 1 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.879 -0.091 25790 147 1 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.348 -1.268 25790 148 1 . 1 1 26 26 GLN H H 26 7.401 7.401 7.240 0.161 25790 149 1 . 1 1 27 27 TYR N N 27 114.712 114.712 118.121 -3.409 25790 150 1 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.968 0.110 25790 151 1 . 1 1 27 27 TYR C C 27 172.931 172.931 173.682 -0.751 25790 152 1 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.156 1.011 25790 153 1 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.076 1.584 25790 154 1 . 1 1 27 27 TYR H H 27 7.675 7.675 8.251 -0.576 25790 155 1 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.473 -0.111 25790 156 1 . 1 1 28 28 PRO C C 28 179.333 179.333 177.934 1.399 25790 157 1 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.915 0.479 25790 158 1 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.370 -1.116 25790 159 1 . 1 1 29 29 GLY N N 29 110.091 110.091 112.578 -2.487 25790 160 1 . 1 1 29 29 GLY C C 29 173.218 173.218 174.421 -1.203 25790 161 1 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.281 0.631 25790 162 1 . 1 1 29 29 GLY H H 29 8.826 8.826 8.776 0.050 25790 163 1 . 1 1 30 30 ASN N N 30 118.603 118.603 121.360 -2.757 25790 164 1 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.037 -0.038 25790 165 1 . 1 1 30 30 ASN C C 30 173.977 173.977 174.566 -0.589 25790 166 1 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.829 -0.644 25790 167 1 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.390 0.036 25790 168 1 . 1 1 30 30 ASN H H 30 7.293 7.293 7.759 -0.466 25790 169 1 . 1 1 31 31 TYR N N 31 125.240 125.240 125.910 -0.670 25790 170 1 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.138 -0.240 25790 171 1 . 1 1 31 31 TYR C C 31 177.343 177.343 176.572 0.771 25790 172 1 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.547 -0.736 25790 173 1 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.912 -0.555 25790 174 1 . 1 1 31 31 TYR H H 31 8.509 8.509 8.213 0.296 25790 175 1 . 1 1 32 32 GLU N N 32 118.993 118.993 116.849 2.144 25790 176 1 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.691 0.209 25790 177 1 . 1 1 32 32 GLU C C 32 179.549 179.549 178.576 0.973 25790 178 1 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.397 0.715 25790 179 1 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.070 1.098 25790 180 1 . 1 1 32 32 GLU H H 32 8.714 8.714 8.777 -0.063 25790 181 1 . 1 1 33 33 GLN N N 33 117.037 117.037 118.643 -1.606 25790 182 1 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.989 -0.256 25790 183 1 . 1 1 33 33 GLN C C 33 179.119 179.119 178.753 0.366 25790 184 1 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.369 -0.667 25790 185 1 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.638 -0.012 25790 186 1 . 1 1 33 33 GLN H H 33 7.536 7.536 8.145 -0.609 25790 187 1 . 1 1 34 34 GLN N N 34 117.723 117.723 119.600 -1.877 25790 188 1 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.107 -0.296 25790 189 1 . 1 1 34 34 GLN C C 34 177.634 177.634 178.624 -0.990 25790 190 1 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.554 0.611 25790 191 1 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.477 -0.976 25790 192 1 . 1 1 34 34 GLN H H 34 7.968 7.968 8.452 -0.484 25790 193 1 . 1 1 35 35 GLN N N 35 115.293 115.293 118.530 -3.237 25790 194 1 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.059 -0.268 25790 195 1 . 1 1 35 35 GLN C C 35 178.757 178.757 178.610 0.147 25790 196 1 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.202 0.408 25790 197 1 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.246 -0.041 25790 198 1 . 1 1 35 35 GLN H H 35 7.870 7.870 7.591 0.279 25790 199 1 . 1 1 36 36 ILE N N 36 120.769 120.769 120.948 -0.179 25790 200 1 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.679 -0.115 25790 201 1 . 1 1 36 36 ILE C C 36 178.273 178.273 178.172 0.101 25790 202 1 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.218 0.018 25790 203 1 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.742 0.631 25790 204 1 . 1 1 36 36 ILE H H 36 7.503 7.503 7.718 -0.215 25790 205 1 . 1 1 37 37 LEU N N 37 121.056 121.056 121.789 -0.733 25790 206 1 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.129 0.180 25790 207 1 . 1 1 37 37 LEU C C 37 178.348 178.348 178.419 -0.071 25790 208 1 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.068 -0.334 25790 209 1 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.857 -0.341 25790 210 1 . 1 1 37 37 LEU H H 37 7.678 7.678 8.137 -0.458 25790 211 1 . 1 1 38 38 ILE N N 38 119.334 119.334 119.225 0.109 25790 212 1 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.546 -0.205 25790 213 1 . 1 1 38 38 ILE C C 38 177.371 177.371 177.934 -0.563 25790 214 1 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.707 1.378 25790 215 1 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.570 0.779 25790 216 1 . 1 1 38 38 ILE H H 38 8.702 8.702 8.030 0.672 25790 217 1 . 1 1 39 39 ARG N N 39 117.798 117.798 119.718 -1.920 25790 218 1 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.042 0.173 25790 219 1 . 1 1 39 39 ARG C C 39 179.555 179.555 178.782 0.773 25790 220 1 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.657 -0.198 25790 221 1 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.842 -0.090 25790 222 1 . 1 1 39 39 ARG H H 39 7.739 7.739 8.115 -0.376 25790 223 1 . 1 1 40 40 GLN N N 40 119.432 119.432 119.142 0.290 25790 224 1 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.116 0.021 25790 225 1 . 1 1 40 40 GLN C C 40 179.522 179.522 178.524 0.998 25790 226 1 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.851 0.408 25790 227 1 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.551 -0.193 25790 228 1 . 1 1 40 40 GLN H H 40 7.811 7.811 7.700 0.111 25790 229 1 . 1 1 41 41 LEU N N 41 121.592 121.592 120.242 1.350 25790 230 1 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.828 -0.141 25790 231 1 . 1 1 41 41 LEU C C 41 178.974 178.974 179.351 -0.377 25790 232 1 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.760 0.203 25790 233 1 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.136 -1.284 25790 234 1 . 1 1 41 41 LEU H H 41 8.648 8.648 8.284 0.364 25790 235 1 . 1 1 42 42 GLN N N 42 119.054 119.054 118.073 0.981 25790 236 1 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.237 0.307 25790 237 1 . 1 1 42 42 GLN C C 42 180.176 180.176 178.726 1.450 25790 238 1 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.376 -0.142 25790 239 1 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.661 -0.741 25790 240 1 . 1 1 42 42 GLN H H 42 8.641 8.641 8.530 0.111 25790 241 1 . 1 1 43 43 GLU N N 43 121.517 121.517 120.333 1.185 25790 242 1 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.068 0.168 25790 243 1 . 1 1 43 43 GLU C C 43 179.721 179.721 178.910 0.811 25790 244 1 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.427 0.240 25790 245 1 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.485 -0.227 25790 246 1 . 1 1 43 43 GLU H H 43 8.111 8.111 7.932 0.179 25790 247 1 . 1 1 44 44 GLN N N 44 119.240 119.240 118.578 0.662 25790 248 1 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.117 -0.001 25790 249 1 . 1 1 44 44 GLN C C 44 179.012 179.012 178.580 0.432 25790 250 1 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.668 0.481 25790 251 1 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.693 0.161 25790 252 1 . 1 1 44 44 GLN H H 44 8.372 8.372 8.081 0.291 25790 253 1 . 1 1 45 45 HIS N N 45 121.705 121.705 119.730 1.975 25790 254 1 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.395 -0.115 25790 255 1 . 1 1 45 45 HIS C C 45 176.395 176.395 177.338 -0.943 25790 256 1 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.516 0.843 25790 257 1 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.164 2.161 25790 258 1 . 1 1 45 45 HIS H H 45 9.472 9.472 8.386 1.086 25790 259 1 . 1 1 46 46 TYR N N 46 119.039 119.039 120.693 -1.654 25790 260 1 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.201 -0.352 25790 261 1 . 1 1 46 46 TYR C C 46 176.664 176.664 177.741 -1.077 25790 262 1 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.972 0.279 25790 263 1 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.359 -0.687 25790 264 1 . 1 1 46 46 TYR H H 46 8.253 8.253 8.319 -0.066 25790 265 1 . 1 1 47 47 GLN N N 47 116.407 116.407 117.685 -1.278 25790 266 1 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.887 -0.103 25790 267 1 . 1 1 47 47 GLN C C 47 179.048 179.048 178.280 0.768 25790 268 1 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.135 -0.186 25790 269 1 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.169 0.012 25790 270 1 . 1 1 47 47 GLN H H 47 7.814 7.814 7.997 -0.183 25790 271 1 . 1 1 48 48 GLN N N 48 119.803 119.803 120.060 -0.257 25790 272 1 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.045 -0.068 25790 273 1 . 1 1 48 48 GLN C C 48 177.741 177.741 178.269 -0.528 25790 274 1 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.836 -0.522 25790 275 1 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.502 -0.174 25790 276 1 . 1 1 48 48 GLN H H 48 8.645 8.645 7.752 0.893 25790 277 1 . 1 1 49 49 TYR N N 49 121.342 121.342 121.180 0.162 25790 278 1 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.118 -0.478 25790 279 1 . 1 1 49 49 TYR C C 49 176.021 176.021 177.675 -1.654 25790 280 1 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.543 0.566 25790 281 1 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.310 0.597 25790 282 1 . 1 1 49 49 TYR H H 49 9.105 9.105 8.191 0.914 25790 283 1 . 1 1 50 50 MET N N 50 115.522 115.522 118.390 -2.868 25790 284 1 . 1 1 50 50 MET HA H 50 4.040 4.040 3.843 0.197 25790 285 1 . 1 1 50 50 MET C C 50 179.841 179.841 178.101 1.740 25790 286 1 . 1 1 50 50 MET CA C 50 56.623 56.623 58.442 -1.819 25790 287 1 . 1 1 50 50 MET CB C 50 30.099 30.099 32.198 -2.099 25790 288 1 . 1 1 50 50 MET H H 50 8.060 8.060 8.172 -0.112 25790 289 1 . 1 1 51 51 GLN N N 51 118.942 118.942 118.495 0.447 25790 290 1 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.937 0.128 25790 291 1 . 1 1 51 51 GLN C C 51 178.707 178.707 178.354 0.353 25790 292 1 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.131 -0.190 25790 293 1 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.499 -0.010 25790 294 1 . 1 1 51 51 GLN H H 51 7.830 7.830 8.047 -0.217 25790 295 1 . 1 1 52 52 GLN N N 52 119.210 119.210 120.176 -0.966 25790 296 1 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.053 0.004 25790 297 1 . 1 1 52 52 GLN C C 52 178.738 178.738 178.447 0.291 25790 298 1 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.645 0.105 25790 299 1 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.433 -0.030 25790 300 1 . 1 1 52 52 GLN H H 52 8.187 8.187 7.985 0.202 25790 301 1 . 1 1 53 53 LEU N N 53 121.233 121.233 119.698 1.535 25790 302 1 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.827 0.014 25790 303 1 . 1 1 53 53 LEU C C 53 179.191 179.191 178.708 0.483 25790 304 1 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.506 0.239 25790 305 1 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.570 0.296 25790 306 1 . 1 1 53 53 LEU H H 53 8.441 8.441 7.935 0.506 25790 307 1 . 1 1 54 54 TYR N N 54 118.505 118.505 119.660 -1.155 25790 308 1 . 1 1 54 54 TYR HA H 54 4.318 4.318 4.005 0.313 25790 309 1 . 1 1 54 54 TYR C C 54 177.535 177.535 177.172 0.363 25790 310 1 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.746 -1.269 25790 311 1 . 1 1 54 54 TYR CB C 54 37.786 37.786 37.954 -0.168 25790 312 1 . 1 1 54 54 TYR H H 54 7.819 7.819 7.968 -0.149 25790 313 1 . 1 1 55 55 GLN N N 55 117.299 117.299 118.151 -0.852 25790 314 1 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.574 0.325 25790 315 1 . 1 1 55 55 GLN C C 55 179.041 179.041 178.254 0.787 25790 316 1 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.599 0.110 25790 317 1 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.523 -0.308 25790 318 1 . 1 1 55 55 GLN H H 55 7.735 7.735 7.596 0.139 25790 319 1 . 1 1 56 56 VAL N N 56 120.879 120.879 120.827 0.052 25790 320 1 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.581 0.211 25790 321 1 . 1 1 56 56 VAL C C 56 178.262 178.262 178.002 0.260 25790 322 1 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.385 -0.443 25790 323 1 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.027 0.852 25790 324 1 . 1 1 56 56 VAL H H 56 8.014 8.014 7.951 0.063 25790 325 1 . 1 1 57 57 GLN N N 57 120.513 120.513 119.322 1.191 25790 326 1 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.984 0.076 25790 327 1 . 1 1 57 57 GLN C C 57 178.772 178.772 178.884 -0.112 25790 328 1 . 1 1 57 57 GLN CA C 57 58.616 58.616 59.242 -0.627 25790 329 1 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.628 -0.643 25790 330 1 . 1 1 57 57 GLN H H 57 8.103 8.103 8.050 0.053 25790 331 1 . 1 1 58 58 LEU N N 58 121.244 121.244 119.065 2.179 25790 332 1 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.945 0.060 25790 333 1 . 1 1 58 58 LEU C C 58 179.134 179.134 178.539 0.595 25790 334 1 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.404 0.102 25790 335 1 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.232 0.571 25790 336 1 . 1 1 58 58 LEU H H 58 8.176 8.176 7.822 0.354 25790 337 1 . 1 1 59 59 ALA N N 59 121.608 121.608 122.057 -0.449 25790 338 1 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.860 0.305 25790 339 1 . 1 1 59 59 ALA C C 59 180.497 180.497 179.835 0.662 25790 340 1 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.149 -0.567 25790 341 1 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.037 0.016 25790 342 1 . 1 1 59 59 ALA H H 59 7.833 7.833 8.065 -0.232 25790 343 1 . 1 1 60 60 GLN N N 60 118.335 118.335 117.477 0.858 25790 344 1 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.939 0.209 25790 345 1 . 1 1 60 60 GLN C C 60 178.334 178.334 178.846 -0.512 25790 346 1 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.848 -0.871 25790 347 1 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.621 -0.186 25790 348 1 . 1 1 60 60 GLN H H 60 8.081 8.081 7.942 0.139 25790 349 1 . 1 1 61 61 GLN N N 61 120.206 120.206 119.038 1.168 25790 350 1 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.993 0.169 25790 351 1 . 1 1 61 61 GLN C C 61 178.002 178.002 178.514 -0.512 25790 352 1 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.945 -1.040 25790 353 1 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.495 0.084 25790 354 1 . 1 1 61 61 GLN H H 61 8.111 8.111 7.921 0.190 25790 355 1 . 1 1 62 62 GLN N N 62 118.980 118.980 118.508 0.472 25790 356 1 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.083 0.046 25790 357 1 . 1 1 62 62 GLN C C 62 177.624 177.624 178.226 -0.602 25790 358 1 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.503 -0.867 25790 359 1 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.183 0.453 25790 360 1 . 1 1 62 62 GLN H H 62 8.203 8.203 8.372 -0.169 25790 361 1 . 1 1 63 63 ALA N N 63 122.712 122.712 122.364 0.348 25790 362 1 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.131 0.075 25790 363 1 . 1 1 63 63 ALA C C 63 178.922 178.922 178.642 0.280 25790 364 1 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.400 -0.504 25790 365 1 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.213 0.246 25790 366 1 . 1 1 63 63 ALA H H 63 8.004 8.004 7.945 0.059 25790 367 1 . 1 1 64 64 ALA N N 64 120.813 120.813 120.392 0.421 25790 368 1 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.183 0.049 25790 369 1 . 1 1 64 64 ALA C C 64 178.732 178.732 178.872 -0.140 25790 370 1 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.776 -0.260 25790 371 1 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.293 -0.663 25790 372 1 . 1 1 64 64 ALA H H 64 7.837 7.837 7.580 0.257 25790 373 1 . 1 1 65 65 LEU N N 65 119.196 119.196 118.235 0.960 25790 374 1 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.174 0.084 25790 375 1 . 1 1 65 65 LEU C C 65 178.038 178.038 177.544 0.494 25790 376 1 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.862 -0.040 25790 377 1 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.637 -0.373 25790 378 1 . 1 1 65 65 LEU H H 65 7.765 7.765 7.721 0.044 25790 379 1 . 1 1 66 66 GLN N N 66 119.365 119.365 114.566 4.799 25790 380 1 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.963 0.312 25790 381 1 . 1 1 66 66 GLN C C 66 176.120 176.120 175.715 0.405 25790 382 1 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.811 -0.744 25790 383 1 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.389 2.743 25790 384 1 . 1 1 66 66 GLN H H 66 7.967 7.967 8.048 -0.081 25790 385 1 . 1 1 67 67 LYS N N 67 121.521 121.521 117.864 3.657 25790 386 1 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.333 -0.024 25790 387 1 . 1 1 67 67 LYS C C 67 176.437 176.437 176.117 0.320 25790 388 1 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.092 0.297 25790 389 1 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.274 0.767 25790 390 1 . 1 1 67 67 LYS H H 67 8.053 8.053 8.242 -0.189 25790 391 1 . 1 1 68 68 GLN N N 68 121.970 121.970 118.978 2.992 25790 392 1 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.320 0.019 25790 393 1 . 1 1 68 68 GLN C C 68 175.120 175.120 175.420 -0.300 25790 394 1 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.613 0.387 25790 395 1 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.524 1.974 25790 396 1 . 1 1 68 68 GLN H H 68 8.314 8.314 8.147 0.167 25790 stop_ save_